USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 877 hydrogens (5 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 GLN :FLIP amide:sc= -2.55! C(o=-11!,f=-5!) USER MOD Set 1.2: A 95 GLN :FLIP amide:sc= -2.47! C(o=-9.7!,f=-5!) USER MOD Set 2.1: A 81 LYS NZ :NH3+ -171:sc= -11.5! (180deg=-5.93!) USER MOD Set 2.2: A 93 TYR OH : rot -126:sc= -12! USER MOD Set 2.3: A 94 HIS : no HE2:sc= -34.2! C(o=-58!,f=-62!) USER MOD Set 3.1: A 4 ASN : amide:sc= -5.16! C(o=-17!,f=-18!) USER MOD Set 3.2: A 45 TYR OH : rot 61:sc= 0.517! USER MOD Set 3.3: A 76 TYR OH : rot 30:sc= 0 USER MOD Set 3.4: A 86 SER OG : rot -68:sc= -12.3! USER MOD Set 4.1: A 72 SER OG : rot 59:sc= 0.397 USER MOD Set 4.2: A 74 LYS NZ :NH3+ 163:sc= 0.637 (180deg=0.00831) USER MOD Set 5.1: A 62 LYS NZ :NH3+ 173:sc= 0.285! (180deg=-1.09!) USER MOD Set 5.2: A 64 TYR OH : rot 0:sc= 0.254 USER MOD Set 6.1: A 44 THR OG1 : rot 98:sc= -2.51! USER MOD Set 6.2: A 46 THR OG1 : rot 63:sc= -2.79! USER MOD Set 6.3: A 65 HIS : no HE2:sc= -19.1! C(o=-24!,f=-37!) USER MOD Set 7.1: A 13 ASN : amide:sc= -25.7! C(o=-59!,f=-60!) USER MOD Set 7.2: A 35 MET CE :methyl -153:sc= -33.3! (180deg=-29.9!) USER MOD Single : A 5 ASN : amide:sc= 0.0504 X(o=0.05,f=-0.055) USER MOD Single : A 8 THR OG1 : rot 14:sc= 0.927 USER MOD Single : A 9 TYR OH : rot 180:sc= -1.65! USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 134:sc= -6.49! (180deg=-10.3!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 170:sc= -2.02! USER MOD Single : A 30 LYS NZ :NH3+ 161:sc= 0.354 (180deg=-0.295) USER MOD Single : A 39 SER OG : rot 180:sc= -0.656! USER MOD Single : A 41 THR OG1 : rot -173:sc= -8.24! USER MOD Single : A 48 SER OG : rot -28:sc= -14.9! USER MOD Single : A 51 THR OG1 : rot -129:sc= -10.4! USER MOD Single : A 52 LYS NZ :NH3+ -148:sc= -0.837 (180deg=-1.87!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN :FLIP amide:sc= -0.0781 F(o=-0.92,f=-0.078) USER MOD Single : A 60 CYS SG : rot -160:sc= -6.5! USER MOD Single : A 63 HIS : no HE2:sc= -16.2! C(o=-16!,f=-22!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.457 USER MOD Single : A 70 ASN :FLIP amide:sc= -0.122 F(o=-1.6!,f=-0.12) USER MOD Single : A 77 TYR OH : rot 180:sc= -2.51! USER MOD Single : A 82 TYR OH : rot 180:sc= -3.08! USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN :FLIP amide:sc= -0.368 F(o=-2.3,f=-0.37) USER MOD Single : A 103 THR OG1 : rot -9:sc= -9.95! USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 CYS SG : rot -49:sc= 0.453 USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 3 -13.282 9.270 3.252 1.00 0.00 C HETATM 2 O ACE A 3 -14.083 8.764 4.037 1.00 0.00 O HETATM 3 CH3 ACE A 3 -13.763 10.029 2.041 1.00 0.00 C HETATM 0 H1 ACE A 3 -13.402 11.056 2.088 1.00 0.00 H new HETATM 0 H2 ACE A 3 -13.383 9.552 1.138 1.00 0.00 H new HETATM 0 H3 ACE A 3 -14.853 10.028 2.020 1.00 0.00 H new ATOM 7 N ASN A 4 -11.965 9.185 3.406 1.00 0.00 N ATOM 8 CA ASN A 4 -11.372 8.476 4.534 1.00 0.00 C ATOM 9 C ASN A 4 -9.889 8.808 4.666 1.00 0.00 C ATOM 10 O ASN A 4 -9.063 7.925 4.900 1.00 0.00 O ATOM 11 CB ASN A 4 -11.556 6.967 4.368 1.00 0.00 C ATOM 12 CG ASN A 4 -11.596 6.545 2.913 1.00 0.00 C ATOM 13 OD1 ASN A 4 -10.878 7.091 2.076 1.00 0.00 O ATOM 14 ND2 ASN A 4 -12.441 5.568 2.603 1.00 0.00 N ATOM 0 H ASN A 4 -11.288 9.598 2.764 1.00 0.00 H new ATOM 0 HA ASN A 4 -11.880 8.799 5.442 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -10.741 6.447 4.872 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -12.480 6.661 4.858 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -12.513 5.243 1.639 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -13.018 5.143 3.329 1.00 0.00 H new ATOM 21 N ASN A 5 -9.559 10.086 4.513 1.00 0.00 N ATOM 22 CA ASN A 5 -8.175 10.536 4.613 1.00 0.00 C ATOM 23 C ASN A 5 -7.342 9.559 5.438 1.00 0.00 C ATOM 24 O ASN A 5 -7.796 9.054 6.466 1.00 0.00 O ATOM 25 CB ASN A 5 -8.115 11.929 5.241 1.00 0.00 C ATOM 26 CG ASN A 5 -9.340 12.241 6.078 1.00 0.00 C ATOM 27 OD1 ASN A 5 -10.058 13.205 5.813 1.00 0.00 O ATOM 28 ND2 ASN A 5 -9.585 11.422 7.095 1.00 0.00 N ATOM 0 H ASN A 5 -10.231 10.829 4.319 1.00 0.00 H new ATOM 0 HA ASN A 5 -7.760 10.579 3.606 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -7.224 12.005 5.864 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -8.017 12.676 4.453 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -10.396 11.580 7.693 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -8.962 10.635 7.277 1.00 0.00 H new ATOM 35 N LEU A 6 -6.122 9.298 4.981 1.00 0.00 N ATOM 36 CA LEU A 6 -5.222 8.383 5.674 1.00 0.00 C ATOM 37 C LEU A 6 -3.894 9.050 5.969 1.00 0.00 C ATOM 38 O LEU A 6 -2.935 8.393 6.372 1.00 0.00 O ATOM 39 CB LEU A 6 -4.975 7.138 4.833 1.00 0.00 C ATOM 40 CG LEU A 6 -5.713 7.101 3.506 1.00 0.00 C ATOM 41 CD1 LEU A 6 -4.860 6.411 2.459 1.00 0.00 C ATOM 42 CD2 LEU A 6 -7.043 6.397 3.676 1.00 0.00 C ATOM 0 H LEU A 6 -5.733 9.708 4.132 1.00 0.00 H new ATOM 0 HA LEU A 6 -5.698 8.101 6.613 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -3.906 7.056 4.639 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -5.262 6.262 5.415 1.00 0.00 H new ATOM 0 HG LEU A 6 -5.907 8.120 3.170 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.396 6.388 1.510 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.925 6.957 2.334 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.645 5.391 2.779 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -7.567 6.374 2.721 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -6.873 5.377 4.022 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.647 6.932 4.408 1.00 0.00 H new ATOM 54 N GLU A 7 -3.836 10.353 5.750 1.00 0.00 N ATOM 55 CA GLU A 7 -2.613 11.109 5.980 1.00 0.00 C ATOM 56 C GLU A 7 -2.120 10.950 7.416 1.00 0.00 C ATOM 57 O GLU A 7 -1.795 11.932 8.084 1.00 0.00 O ATOM 58 CB GLU A 7 -2.830 12.589 5.659 1.00 0.00 C ATOM 59 CG GLU A 7 -4.271 13.041 5.827 1.00 0.00 C ATOM 60 CD GLU A 7 -4.380 14.477 6.301 1.00 0.00 C ATOM 61 OE1 GLU A 7 -3.327 15.116 6.508 1.00 0.00 O ATOM 62 OE2 GLU A 7 -5.519 14.964 6.464 1.00 0.00 O ATOM 0 H GLU A 7 -4.621 10.911 5.413 1.00 0.00 H new ATOM 0 HA GLU A 7 -1.848 10.709 5.315 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -2.191 13.190 6.306 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -2.515 12.780 4.633 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -4.794 12.935 4.877 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -4.772 12.387 6.541 1.00 0.00 H new ATOM 69 N THR A 8 -2.063 9.708 7.880 1.00 0.00 N ATOM 70 CA THR A 8 -1.605 9.414 9.231 1.00 0.00 C ATOM 71 C THR A 8 -1.090 7.978 9.355 1.00 0.00 C ATOM 72 O THR A 8 -0.762 7.529 10.453 1.00 0.00 O ATOM 73 CB THR A 8 -2.738 9.646 10.232 1.00 0.00 C ATOM 74 OG1 THR A 8 -2.448 9.023 11.471 1.00 0.00 O ATOM 75 CG2 THR A 8 -4.075 9.122 9.756 1.00 0.00 C ATOM 0 H THR A 8 -2.329 8.886 7.338 1.00 0.00 H new ATOM 0 HA THR A 8 -0.777 10.088 9.452 1.00 0.00 H new ATOM 0 HB THR A 8 -2.809 10.728 10.341 1.00 0.00 H new ATOM 0 HG1 THR A 8 -1.502 8.768 11.495 1.00 0.00 H new ATOM 0 HG21 THR A 8 -4.834 9.319 10.513 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.351 9.621 8.827 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.005 8.048 9.584 1.00 0.00 H new ATOM 83 N TYR A 9 -1.023 7.253 8.237 1.00 0.00 N ATOM 84 CA TYR A 9 -0.551 5.875 8.257 1.00 0.00 C ATOM 85 C TYR A 9 0.915 5.783 7.872 1.00 0.00 C ATOM 86 O TYR A 9 1.315 6.236 6.799 1.00 0.00 O ATOM 87 CB TYR A 9 -1.388 5.018 7.315 1.00 0.00 C ATOM 88 CG TYR A 9 -2.843 5.016 7.702 1.00 0.00 C ATOM 89 CD1 TYR A 9 -3.299 4.185 8.713 1.00 0.00 C ATOM 90 CD2 TYR A 9 -3.754 5.865 7.083 1.00 0.00 C ATOM 91 CE1 TYR A 9 -4.621 4.190 9.098 1.00 0.00 C ATOM 92 CE2 TYR A 9 -5.082 5.878 7.468 1.00 0.00 C ATOM 93 CZ TYR A 9 -5.509 5.040 8.475 1.00 0.00 C ATOM 94 OH TYR A 9 -6.831 5.052 8.860 1.00 0.00 O ATOM 0 H TYR A 9 -1.288 7.598 7.314 1.00 0.00 H new ATOM 0 HA TYR A 9 -0.657 5.503 9.276 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -1.284 5.391 6.296 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -1.009 3.996 7.321 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -2.605 3.522 9.208 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -3.421 6.521 6.293 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -4.960 3.531 9.884 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -5.781 6.542 6.982 1.00 0.00 H new ATOM 0 HH TYR A 9 -7.322 5.708 8.322 1.00 0.00 H new ATOM 104 N GLU A 10 1.712 5.179 8.744 1.00 0.00 N ATOM 105 CA GLU A 10 3.129 5.013 8.473 1.00 0.00 C ATOM 106 C GLU A 10 3.319 4.616 7.024 1.00 0.00 C ATOM 107 O GLU A 10 4.386 4.797 6.445 1.00 0.00 O ATOM 108 CB GLU A 10 3.722 3.930 9.367 1.00 0.00 C ATOM 109 CG GLU A 10 2.670 3.070 10.025 1.00 0.00 C ATOM 110 CD GLU A 10 3.255 2.071 11.005 1.00 0.00 C ATOM 111 OE1 GLU A 10 4.260 1.415 10.655 1.00 0.00 O ATOM 112 OE2 GLU A 10 2.710 1.945 12.121 1.00 0.00 O ATOM 0 H GLU A 10 1.402 4.799 9.638 1.00 0.00 H new ATOM 0 HA GLU A 10 3.636 5.956 8.675 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.382 3.297 8.774 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.336 4.397 10.137 1.00 0.00 H new ATOM 0 HG2 GLU A 10 1.959 3.710 10.547 1.00 0.00 H new ATOM 0 HG3 GLU A 10 2.113 2.534 9.257 1.00 0.00 H new ATOM 119 N TRP A 11 2.273 4.041 6.453 1.00 0.00 N ATOM 120 CA TRP A 11 2.314 3.581 5.084 1.00 0.00 C ATOM 121 C TRP A 11 1.791 4.627 4.104 1.00 0.00 C ATOM 122 O TRP A 11 2.324 4.772 3.007 1.00 0.00 O ATOM 123 CB TRP A 11 1.495 2.310 4.972 1.00 0.00 C ATOM 124 CG TRP A 11 0.157 2.402 5.646 1.00 0.00 C ATOM 125 CD1 TRP A 11 -0.191 1.960 6.896 1.00 0.00 C ATOM 126 CD2 TRP A 11 -1.027 2.953 5.077 1.00 0.00 C ATOM 127 NE1 TRP A 11 -1.531 2.198 7.122 1.00 0.00 N ATOM 128 CE2 TRP A 11 -2.060 2.810 6.019 1.00 0.00 C ATOM 129 CE3 TRP A 11 -1.306 3.552 3.857 1.00 0.00 C ATOM 130 CZ2 TRP A 11 -3.357 3.245 5.768 1.00 0.00 C ATOM 131 CZ3 TRP A 11 -2.590 3.984 3.604 1.00 0.00 C ATOM 132 CH2 TRP A 11 -3.602 3.828 4.555 1.00 0.00 C ATOM 0 H TRP A 11 1.382 3.883 6.924 1.00 0.00 H new ATOM 0 HA TRP A 11 3.354 3.392 4.820 1.00 0.00 H new ATOM 0 HB2 TRP A 11 1.347 2.073 3.918 1.00 0.00 H new ATOM 0 HB3 TRP A 11 2.057 1.484 5.408 1.00 0.00 H new ATOM 0 HD1 TRP A 11 0.484 1.495 7.599 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -2.043 1.957 7.971 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -0.529 3.678 3.117 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -4.140 3.127 6.502 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -2.818 4.450 2.657 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -4.599 4.175 4.327 1.00 0.00 H new ATOM 143 N TYR A 12 0.742 5.345 4.482 1.00 0.00 N ATOM 144 CA TYR A 12 0.175 6.351 3.592 1.00 0.00 C ATOM 145 C TYR A 12 1.136 7.505 3.362 1.00 0.00 C ATOM 146 O TYR A 12 1.733 8.036 4.299 1.00 0.00 O ATOM 147 CB TYR A 12 -1.146 6.895 4.123 1.00 0.00 C ATOM 148 CG TYR A 12 -1.812 7.837 3.146 1.00 0.00 C ATOM 149 CD1 TYR A 12 -2.391 7.356 1.980 1.00 0.00 C ATOM 150 CD2 TYR A 12 -1.852 9.204 3.381 1.00 0.00 C ATOM 151 CE1 TYR A 12 -2.992 8.209 1.077 1.00 0.00 C ATOM 152 CE2 TYR A 12 -2.451 10.066 2.483 1.00 0.00 C ATOM 153 CZ TYR A 12 -3.020 9.563 1.333 1.00 0.00 C ATOM 154 OH TYR A 12 -3.618 10.418 0.435 1.00 0.00 O ATOM 0 H TYR A 12 0.272 5.253 5.383 1.00 0.00 H new ATOM 0 HA TYR A 12 -0.007 5.849 2.642 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -1.818 6.064 4.339 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -0.970 7.416 5.064 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -2.371 6.296 1.776 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -1.407 9.601 4.282 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -3.438 7.818 0.175 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -2.473 11.127 2.681 1.00 0.00 H new ATOM 0 HH TYR A 12 -3.552 11.338 0.766 1.00 0.00 H new ATOM 164 N ASN A 13 1.269 7.891 2.100 1.00 0.00 N ATOM 165 CA ASN A 13 2.141 8.987 1.717 1.00 0.00 C ATOM 166 C ASN A 13 1.460 9.859 0.668 1.00 0.00 C ATOM 167 O ASN A 13 1.384 9.500 -0.507 1.00 0.00 O ATOM 168 CB ASN A 13 3.464 8.431 1.201 1.00 0.00 C ATOM 169 CG ASN A 13 4.260 7.771 2.308 1.00 0.00 C ATOM 170 OD1 ASN A 13 3.699 7.092 3.169 1.00 0.00 O ATOM 171 ND2 ASN A 13 5.571 7.966 2.297 1.00 0.00 N ATOM 0 H ASN A 13 0.778 7.455 1.320 1.00 0.00 H new ATOM 0 HA ASN A 13 2.346 9.611 2.587 1.00 0.00 H new ATOM 0 HB2 ASN A 13 3.271 7.707 0.409 1.00 0.00 H new ATOM 0 HB3 ASN A 13 4.051 9.237 0.760 1.00 0.00 H new ATOM 0 HD21 ASN A 13 6.155 7.546 3.020 1.00 0.00 H new ATOM 0 HD22 ASN A 13 5.996 8.536 1.565 1.00 0.00 H new ATOM 178 N LYS A 14 0.936 10.993 1.117 1.00 0.00 N ATOM 179 CA LYS A 14 0.221 11.923 0.248 1.00 0.00 C ATOM 180 C LYS A 14 0.979 12.223 -1.047 1.00 0.00 C ATOM 181 O LYS A 14 2.207 12.157 -1.100 1.00 0.00 O ATOM 182 CB LYS A 14 -0.058 13.227 0.994 1.00 0.00 C ATOM 183 CG LYS A 14 1.200 13.971 1.412 1.00 0.00 C ATOM 184 CD LYS A 14 1.900 13.276 2.567 1.00 0.00 C ATOM 185 CE LYS A 14 0.935 12.972 3.702 1.00 0.00 C ATOM 186 NZ LYS A 14 1.638 12.844 5.009 1.00 0.00 N ATOM 0 H LYS A 14 0.994 11.294 2.090 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.717 11.441 -0.029 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -0.660 13.877 0.359 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -0.652 13.008 1.881 1.00 0.00 H new ATOM 0 HG2 LYS A 14 1.880 14.043 0.563 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.942 14.990 1.701 1.00 0.00 H new ATOM 0 HD2 LYS A 14 2.353 12.349 2.215 1.00 0.00 H new ATOM 0 HD3 LYS A 14 2.710 13.906 2.935 1.00 0.00 H new ATOM 0 HE2 LYS A 14 0.189 13.765 3.767 1.00 0.00 H new ATOM 0 HE3 LYS A 14 0.400 12.048 3.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 0.946 12.637 5.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 2.332 12.071 4.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 2.128 13.735 5.228 1.00 0.00 H new ATOM 200 N SER A 15 0.215 12.575 -2.080 1.00 0.00 N ATOM 201 CA SER A 15 0.756 12.922 -3.397 1.00 0.00 C ATOM 202 C SER A 15 2.077 12.218 -3.700 1.00 0.00 C ATOM 203 O SER A 15 2.871 12.708 -4.504 1.00 0.00 O ATOM 204 CB SER A 15 0.945 14.435 -3.500 1.00 0.00 C ATOM 205 OG SER A 15 0.073 14.995 -4.466 1.00 0.00 O ATOM 0 H SER A 15 -0.802 12.628 -2.028 1.00 0.00 H new ATOM 0 HA SER A 15 0.032 12.580 -4.137 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.760 14.894 -2.529 1.00 0.00 H new ATOM 0 HB3 SER A 15 1.978 14.658 -3.766 1.00 0.00 H new ATOM 0 HG SER A 15 0.213 15.964 -4.511 1.00 0.00 H new ATOM 211 N ILE A 16 2.318 11.079 -3.064 1.00 0.00 N ATOM 212 CA ILE A 16 3.547 10.338 -3.286 1.00 0.00 C ATOM 213 C ILE A 16 3.643 9.792 -4.704 1.00 0.00 C ATOM 214 O ILE A 16 2.637 9.620 -5.393 1.00 0.00 O ATOM 215 CB ILE A 16 3.668 9.165 -2.309 1.00 0.00 C ATOM 216 CG1 ILE A 16 4.818 9.411 -1.352 1.00 0.00 C ATOM 217 CG2 ILE A 16 3.873 7.859 -3.058 1.00 0.00 C ATOM 218 CD1 ILE A 16 5.489 8.137 -0.892 1.00 0.00 C ATOM 0 H ILE A 16 1.680 10.651 -2.393 1.00 0.00 H new ATOM 0 HA ILE A 16 4.359 11.047 -3.124 1.00 0.00 H new ATOM 0 HB ILE A 16 2.741 9.087 -1.740 1.00 0.00 H new ATOM 0 HG12 ILE A 16 5.557 10.049 -1.837 1.00 0.00 H new ATOM 0 HG13 ILE A 16 4.449 9.955 -0.482 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.956 7.039 -2.344 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.024 7.681 -3.718 1.00 0.00 H new ATOM 0 HG23 ILE A 16 4.786 7.919 -3.650 1.00 0.00 H new ATOM 0 HD11 ILE A 16 6.303 8.381 -0.210 1.00 0.00 H new ATOM 0 HD12 ILE A 16 4.762 7.507 -0.379 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.886 7.603 -1.755 1.00 0.00 H new ATOM 230 N SER A 17 4.871 9.502 -5.118 1.00 0.00 N ATOM 231 CA SER A 17 5.135 8.948 -6.438 1.00 0.00 C ATOM 232 C SER A 17 5.931 7.655 -6.307 1.00 0.00 C ATOM 233 O SER A 17 6.747 7.511 -5.397 1.00 0.00 O ATOM 234 CB SER A 17 5.904 9.955 -7.296 1.00 0.00 C ATOM 235 OG SER A 17 5.228 10.206 -8.515 1.00 0.00 O ATOM 0 H SER A 17 5.707 9.644 -4.551 1.00 0.00 H new ATOM 0 HA SER A 17 4.184 8.733 -6.925 1.00 0.00 H new ATOM 0 HB2 SER A 17 6.027 10.888 -6.746 1.00 0.00 H new ATOM 0 HB3 SER A 17 6.904 9.573 -7.503 1.00 0.00 H new ATOM 0 HG SER A 17 5.738 10.854 -9.045 1.00 0.00 H new ATOM 241 N ARG A 18 5.692 6.713 -7.211 1.00 0.00 N ATOM 242 CA ARG A 18 6.397 5.438 -7.176 1.00 0.00 C ATOM 243 C ARG A 18 7.901 5.655 -7.050 1.00 0.00 C ATOM 244 O ARG A 18 8.631 4.779 -6.586 1.00 0.00 O ATOM 245 CB ARG A 18 6.092 4.628 -8.437 1.00 0.00 C ATOM 246 CG ARG A 18 6.645 5.249 -9.708 1.00 0.00 C ATOM 247 CD ARG A 18 5.556 5.939 -10.513 1.00 0.00 C ATOM 248 NE ARG A 18 5.560 5.519 -11.912 1.00 0.00 N ATOM 249 CZ ARG A 18 5.096 4.346 -12.329 1.00 0.00 C ATOM 250 NH1 ARG A 18 4.595 3.481 -11.458 1.00 0.00 N ATOM 251 NH2 ARG A 18 5.134 4.036 -13.618 1.00 0.00 N ATOM 0 H ARG A 18 5.020 6.807 -7.973 1.00 0.00 H new ATOM 0 HA ARG A 18 6.052 4.883 -6.304 1.00 0.00 H new ATOM 0 HB2 ARG A 18 6.505 3.626 -8.323 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.012 4.519 -8.536 1.00 0.00 H new ATOM 0 HG2 ARG A 18 7.422 5.970 -9.453 1.00 0.00 H new ATOM 0 HG3 ARG A 18 7.114 4.476 -10.317 1.00 0.00 H new ATOM 0 HD2 ARG A 18 4.584 5.719 -10.071 1.00 0.00 H new ATOM 0 HD3 ARG A 18 5.694 7.019 -10.458 1.00 0.00 H new ATOM 0 HE ARG A 18 5.940 6.162 -12.607 1.00 0.00 H new ATOM 0 HH11 ARG A 18 4.565 3.716 -10.466 1.00 0.00 H new ATOM 0 HH12 ARG A 18 4.239 2.581 -11.780 1.00 0.00 H new ATOM 0 HH21 ARG A 18 5.520 4.699 -14.291 1.00 0.00 H new ATOM 0 HH22 ARG A 18 4.777 3.135 -13.937 1.00 0.00 H new ATOM 265 N ASP A 19 8.357 6.829 -7.473 1.00 0.00 N ATOM 266 CA ASP A 19 9.774 7.170 -7.417 1.00 0.00 C ATOM 267 C ASP A 19 10.235 7.457 -5.989 1.00 0.00 C ATOM 268 O ASP A 19 11.308 7.018 -5.576 1.00 0.00 O ATOM 269 CB ASP A 19 10.059 8.381 -8.306 1.00 0.00 C ATOM 270 CG ASP A 19 10.445 7.984 -9.718 1.00 0.00 C ATOM 271 OD1 ASP A 19 11.350 7.135 -9.870 1.00 0.00 O ATOM 272 OD2 ASP A 19 9.842 8.521 -10.671 1.00 0.00 O ATOM 0 H ASP A 19 7.764 7.563 -7.860 1.00 0.00 H new ATOM 0 HA ASP A 19 10.333 6.308 -7.781 1.00 0.00 H new ATOM 0 HB2 ASP A 19 9.176 9.019 -8.340 1.00 0.00 H new ATOM 0 HB3 ASP A 19 10.862 8.971 -7.865 1.00 0.00 H new ATOM 277 N LYS A 20 9.432 8.213 -5.242 1.00 0.00 N ATOM 278 CA LYS A 20 9.782 8.570 -3.871 1.00 0.00 C ATOM 279 C LYS A 20 9.548 7.413 -2.904 1.00 0.00 C ATOM 280 O LYS A 20 10.438 7.052 -2.128 1.00 0.00 O ATOM 281 CB LYS A 20 8.976 9.790 -3.421 1.00 0.00 C ATOM 282 CG LYS A 20 9.008 10.938 -4.415 1.00 0.00 C ATOM 283 CD LYS A 20 7.820 10.885 -5.362 1.00 0.00 C ATOM 284 CE LYS A 20 6.977 12.146 -5.267 1.00 0.00 C ATOM 285 NZ LYS A 20 5.782 11.952 -4.399 1.00 0.00 N ATOM 0 H LYS A 20 8.539 8.588 -5.562 1.00 0.00 H new ATOM 0 HA LYS A 20 10.846 8.807 -3.858 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.941 9.491 -3.257 1.00 0.00 H new ATOM 0 HB3 LYS A 20 9.363 10.138 -2.463 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.005 11.886 -3.878 1.00 0.00 H new ATOM 0 HG3 LYS A 20 9.934 10.899 -4.988 1.00 0.00 H new ATOM 0 HD2 LYS A 20 8.174 10.759 -6.385 1.00 0.00 H new ATOM 0 HD3 LYS A 20 7.205 10.016 -5.128 1.00 0.00 H new ATOM 0 HE2 LYS A 20 7.585 12.960 -4.871 1.00 0.00 H new ATOM 0 HE3 LYS A 20 6.656 12.444 -6.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.690 12.759 -3.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.930 11.885 -4.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.891 11.076 -3.849 1.00 0.00 H new ATOM 299 N ALA A 21 8.350 6.835 -2.945 1.00 0.00 N ATOM 300 CA ALA A 21 8.024 5.728 -2.057 1.00 0.00 C ATOM 301 C ALA A 21 9.107 4.660 -2.111 1.00 0.00 C ATOM 302 O ALA A 21 9.637 4.241 -1.083 1.00 0.00 O ATOM 303 CB ALA A 21 6.660 5.145 -2.388 1.00 0.00 C ATOM 0 H ALA A 21 7.598 7.112 -3.576 1.00 0.00 H new ATOM 0 HA ALA A 21 7.979 6.112 -1.038 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.442 4.320 -1.709 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.898 5.917 -2.277 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.660 4.780 -3.415 1.00 0.00 H new ATOM 309 N GLU A 22 9.459 4.230 -3.313 1.00 0.00 N ATOM 310 CA GLU A 22 10.500 3.228 -3.461 1.00 0.00 C ATOM 311 C GLU A 22 11.774 3.710 -2.779 1.00 0.00 C ATOM 312 O GLU A 22 12.417 2.968 -2.032 1.00 0.00 O ATOM 313 CB GLU A 22 10.766 2.939 -4.940 1.00 0.00 C ATOM 314 CG GLU A 22 9.560 2.383 -5.677 1.00 0.00 C ATOM 315 CD GLU A 22 9.841 2.125 -7.145 1.00 0.00 C ATOM 316 OE1 GLU A 22 10.728 2.802 -7.706 1.00 0.00 O ATOM 317 OE2 GLU A 22 9.173 1.248 -7.732 1.00 0.00 O ATOM 0 H GLU A 22 9.046 4.554 -4.187 1.00 0.00 H new ATOM 0 HA GLU A 22 10.168 2.303 -2.989 1.00 0.00 H new ATOM 0 HB2 GLU A 22 11.088 3.858 -5.429 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.590 2.230 -5.021 1.00 0.00 H new ATOM 0 HG2 GLU A 22 9.246 1.454 -5.202 1.00 0.00 H new ATOM 0 HG3 GLU A 22 8.730 3.083 -5.588 1.00 0.00 H new ATOM 324 N LYS A 23 12.117 4.972 -3.023 1.00 0.00 N ATOM 325 CA LYS A 23 13.297 5.573 -2.419 1.00 0.00 C ATOM 326 C LYS A 23 13.161 5.581 -0.902 1.00 0.00 C ATOM 327 O LYS A 23 14.070 5.165 -0.185 1.00 0.00 O ATOM 328 CB LYS A 23 13.494 7.001 -2.935 1.00 0.00 C ATOM 329 CG LYS A 23 12.954 8.070 -1.998 1.00 0.00 C ATOM 330 CD LYS A 23 13.722 9.375 -2.142 1.00 0.00 C ATOM 331 CE LYS A 23 13.660 10.201 -0.867 1.00 0.00 C ATOM 332 NZ LYS A 23 14.121 11.599 -1.088 1.00 0.00 N ATOM 0 H LYS A 23 11.593 5.597 -3.636 1.00 0.00 H new ATOM 0 HA LYS A 23 14.169 4.980 -2.695 1.00 0.00 H new ATOM 0 HB2 LYS A 23 14.558 7.176 -3.097 1.00 0.00 H new ATOM 0 HB3 LYS A 23 13.004 7.099 -3.904 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.899 8.242 -2.210 1.00 0.00 H new ATOM 0 HG3 LYS A 23 13.019 7.720 -0.968 1.00 0.00 H new ATOM 0 HD2 LYS A 23 14.762 9.161 -2.388 1.00 0.00 H new ATOM 0 HD3 LYS A 23 13.310 9.951 -2.971 1.00 0.00 H new ATOM 0 HE2 LYS A 23 12.637 10.211 -0.491 1.00 0.00 H new ATOM 0 HE3 LYS A 23 14.277 9.732 -0.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 14.063 12.129 -0.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 15.106 11.591 -1.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 13.517 12.055 -1.801 1.00 0.00 H new ATOM 346 N LEU A 24 12.011 6.048 -0.421 1.00 0.00 N ATOM 347 CA LEU A 24 11.756 6.096 1.014 1.00 0.00 C ATOM 348 C LEU A 24 11.714 4.690 1.598 1.00 0.00 C ATOM 349 O LEU A 24 12.197 4.451 2.705 1.00 0.00 O ATOM 350 CB LEU A 24 10.435 6.812 1.304 1.00 0.00 C ATOM 351 CG LEU A 24 9.284 6.458 0.362 1.00 0.00 C ATOM 352 CD1 LEU A 24 8.642 5.135 0.760 1.00 0.00 C ATOM 353 CD2 LEU A 24 8.250 7.575 0.352 1.00 0.00 C ATOM 0 H LEU A 24 11.247 6.396 -1.000 1.00 0.00 H new ATOM 0 HA LEU A 24 12.570 6.651 1.481 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.132 6.582 2.325 1.00 0.00 H new ATOM 0 HB3 LEU A 24 10.605 7.888 1.257 1.00 0.00 H new ATOM 0 HG LEU A 24 9.686 6.346 -0.645 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.826 4.906 0.075 1.00 0.00 H new ATOM 0 HD12 LEU A 24 9.387 4.341 0.715 1.00 0.00 H new ATOM 0 HD13 LEU A 24 8.253 5.210 1.775 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.436 7.311 -0.323 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.856 7.715 1.359 1.00 0.00 H new ATOM 0 HD23 LEU A 24 8.717 8.500 0.013 1.00 0.00 H new ATOM 365 N LEU A 25 11.134 3.764 0.843 1.00 0.00 N ATOM 366 CA LEU A 25 11.030 2.379 1.285 1.00 0.00 C ATOM 367 C LEU A 25 12.390 1.695 1.235 1.00 0.00 C ATOM 368 O LEU A 25 12.805 1.043 2.194 1.00 0.00 O ATOM 369 CB LEU A 25 10.039 1.615 0.407 1.00 0.00 C ATOM 370 CG LEU A 25 8.568 1.984 0.600 1.00 0.00 C ATOM 371 CD1 LEU A 25 7.887 2.154 -0.749 1.00 0.00 C ATOM 372 CD2 LEU A 25 7.859 0.928 1.436 1.00 0.00 C ATOM 0 H LEU A 25 10.730 3.947 -0.075 1.00 0.00 H new ATOM 0 HA LEU A 25 10.673 2.377 2.315 1.00 0.00 H new ATOM 0 HB2 LEU A 25 10.303 1.781 -0.637 1.00 0.00 H new ATOM 0 HB3 LEU A 25 10.156 0.549 0.600 1.00 0.00 H new ATOM 0 HG LEU A 25 8.512 2.932 1.135 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.840 2.417 -0.598 1.00 0.00 H new ATOM 0 HD12 LEU A 25 8.383 2.947 -1.309 1.00 0.00 H new ATOM 0 HD13 LEU A 25 7.950 1.221 -1.308 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.813 1.207 1.563 1.00 0.00 H new ATOM 0 HD22 LEU A 25 7.919 -0.036 0.931 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.337 0.856 2.413 1.00 0.00 H new ATOM 384 N LEU A 26 13.077 1.843 0.108 1.00 0.00 N ATOM 385 CA LEU A 26 14.389 1.236 -0.073 1.00 0.00 C ATOM 386 C LEU A 26 15.420 1.859 0.863 1.00 0.00 C ATOM 387 O LEU A 26 16.388 1.210 1.257 1.00 0.00 O ATOM 388 CB LEU A 26 14.843 1.392 -1.524 1.00 0.00 C ATOM 389 CG LEU A 26 15.720 0.258 -2.049 1.00 0.00 C ATOM 390 CD1 LEU A 26 14.926 -0.641 -2.985 1.00 0.00 C ATOM 391 CD2 LEU A 26 16.945 0.819 -2.754 1.00 0.00 C ATOM 0 H LEU A 26 12.746 2.379 -0.694 1.00 0.00 H new ATOM 0 HA LEU A 26 14.306 0.176 0.169 1.00 0.00 H new ATOM 0 HB2 LEU A 26 13.961 1.473 -2.159 1.00 0.00 H new ATOM 0 HB3 LEU A 26 15.391 2.329 -1.619 1.00 0.00 H new ATOM 0 HG LEU A 26 16.055 -0.342 -1.203 1.00 0.00 H new ATOM 0 HD11 LEU A 26 15.567 -1.444 -3.349 1.00 0.00 H new ATOM 0 HD12 LEU A 26 14.079 -1.068 -2.448 1.00 0.00 H new ATOM 0 HD13 LEU A 26 14.562 -0.056 -3.829 1.00 0.00 H new ATOM 0 HD21 LEU A 26 17.560 -0.002 -3.123 1.00 0.00 H new ATOM 0 HD22 LEU A 26 16.630 1.441 -3.592 1.00 0.00 H new ATOM 0 HD23 LEU A 26 17.524 1.421 -2.054 1.00 0.00 H new ATOM 403 N ASP A 27 15.210 3.124 1.209 1.00 0.00 N ATOM 404 CA ASP A 27 16.124 3.840 2.091 1.00 0.00 C ATOM 405 C ASP A 27 16.035 3.323 3.526 1.00 0.00 C ATOM 406 O ASP A 27 16.978 3.468 4.303 1.00 0.00 O ATOM 407 CB ASP A 27 15.822 5.339 2.061 1.00 0.00 C ATOM 408 CG ASP A 27 16.631 6.072 1.008 1.00 0.00 C ATOM 409 OD1 ASP A 27 17.068 5.419 0.036 1.00 0.00 O ATOM 410 OD2 ASP A 27 16.826 7.296 1.154 1.00 0.00 O ATOM 0 H ASP A 27 14.413 3.676 0.891 1.00 0.00 H new ATOM 0 HA ASP A 27 17.138 3.667 1.730 1.00 0.00 H new ATOM 0 HB2 ASP A 27 14.760 5.489 1.868 1.00 0.00 H new ATOM 0 HB3 ASP A 27 16.032 5.769 3.041 1.00 0.00 H new ATOM 415 N THR A 28 14.899 2.728 3.873 1.00 0.00 N ATOM 416 CA THR A 28 14.698 2.202 5.220 1.00 0.00 C ATOM 417 C THR A 28 15.185 0.759 5.332 1.00 0.00 C ATOM 418 O THR A 28 15.989 0.433 6.204 1.00 0.00 O ATOM 419 CB THR A 28 13.220 2.292 5.611 1.00 0.00 C ATOM 420 OG1 THR A 28 13.079 2.371 7.019 1.00 0.00 O ATOM 421 CG2 THR A 28 12.393 1.117 5.134 1.00 0.00 C ATOM 0 H THR A 28 14.106 2.598 3.244 1.00 0.00 H new ATOM 0 HA THR A 28 15.286 2.810 5.907 1.00 0.00 H new ATOM 0 HB THR A 28 12.851 3.193 5.122 1.00 0.00 H new ATOM 0 HG1 THR A 28 12.150 2.589 7.243 1.00 0.00 H new ATOM 0 HG21 THR A 28 11.358 1.250 5.448 1.00 0.00 H new ATOM 0 HG22 THR A 28 12.438 1.058 4.047 1.00 0.00 H new ATOM 0 HG23 THR A 28 12.787 0.196 5.564 1.00 0.00 H new ATOM 429 N GLY A 29 14.691 -0.102 4.449 1.00 0.00 N ATOM 430 CA GLY A 29 15.087 -1.502 4.473 1.00 0.00 C ATOM 431 C GLY A 29 13.953 -2.407 4.911 1.00 0.00 C ATOM 432 O GLY A 29 13.747 -3.481 4.345 1.00 0.00 O ATOM 0 H GLY A 29 14.024 0.142 3.717 1.00 0.00 H new ATOM 0 HA2 GLY A 29 15.425 -1.800 3.481 1.00 0.00 H new ATOM 0 HA3 GLY A 29 15.933 -1.628 5.149 1.00 0.00 H new ATOM 436 N LYS A 30 13.214 -1.962 5.920 1.00 0.00 N ATOM 437 CA LYS A 30 12.083 -2.715 6.451 1.00 0.00 C ATOM 438 C LYS A 30 11.719 -3.909 5.580 1.00 0.00 C ATOM 439 O LYS A 30 11.619 -3.794 4.357 1.00 0.00 O ATOM 440 CB LYS A 30 10.861 -1.808 6.567 1.00 0.00 C ATOM 441 CG LYS A 30 10.868 -0.933 7.801 1.00 0.00 C ATOM 442 CD LYS A 30 12.209 -0.245 7.997 1.00 0.00 C ATOM 443 CE LYS A 30 12.256 0.516 9.312 1.00 0.00 C ATOM 444 NZ LYS A 30 11.849 -0.336 10.463 1.00 0.00 N ATOM 0 H LYS A 30 13.380 -1.073 6.392 1.00 0.00 H new ATOM 0 HA LYS A 30 12.384 -3.086 7.431 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.805 -1.173 5.683 1.00 0.00 H new ATOM 0 HB3 LYS A 30 9.962 -2.424 6.574 1.00 0.00 H new ATOM 0 HG2 LYS A 30 10.083 -0.182 7.718 1.00 0.00 H new ATOM 0 HG3 LYS A 30 10.639 -1.539 8.678 1.00 0.00 H new ATOM 0 HD2 LYS A 30 13.007 -0.987 7.976 1.00 0.00 H new ATOM 0 HD3 LYS A 30 12.391 0.442 7.171 1.00 0.00 H new ATOM 0 HE2 LYS A 30 13.266 0.892 9.478 1.00 0.00 H new ATOM 0 HE3 LYS A 30 11.599 1.384 9.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.191 0.090 11.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 10.812 -0.409 10.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 12.260 -1.285 10.355 1.00 0.00 H new ATOM 458 N GLU A 31 11.476 -5.046 6.223 1.00 0.00 N ATOM 459 CA GLU A 31 11.072 -6.248 5.511 1.00 0.00 C ATOM 460 C GLU A 31 9.570 -6.194 5.269 1.00 0.00 C ATOM 461 O GLU A 31 8.777 -6.312 6.203 1.00 0.00 O ATOM 462 CB GLU A 31 11.436 -7.499 6.313 1.00 0.00 C ATOM 463 CG GLU A 31 10.566 -8.703 5.990 1.00 0.00 C ATOM 464 CD GLU A 31 11.153 -9.568 4.892 1.00 0.00 C ATOM 465 OE1 GLU A 31 12.375 -9.824 4.926 1.00 0.00 O ATOM 466 OE2 GLU A 31 10.390 -9.990 3.997 1.00 0.00 O ATOM 0 H GLU A 31 11.552 -5.158 7.234 1.00 0.00 H new ATOM 0 HA GLU A 31 11.597 -6.297 4.557 1.00 0.00 H new ATOM 0 HB2 GLU A 31 12.479 -7.753 6.121 1.00 0.00 H new ATOM 0 HB3 GLU A 31 11.353 -7.276 7.377 1.00 0.00 H new ATOM 0 HG2 GLU A 31 10.435 -9.304 6.890 1.00 0.00 H new ATOM 0 HG3 GLU A 31 9.576 -8.361 5.688 1.00 0.00 H new ATOM 473 N GLY A 32 9.181 -5.985 4.018 1.00 0.00 N ATOM 474 CA GLY A 32 7.776 -5.885 3.692 1.00 0.00 C ATOM 475 C GLY A 32 7.223 -4.514 4.033 1.00 0.00 C ATOM 476 O GLY A 32 6.060 -4.382 4.414 1.00 0.00 O ATOM 0 H GLY A 32 9.815 -5.883 3.225 1.00 0.00 H new ATOM 0 HA2 GLY A 32 7.633 -6.082 2.630 1.00 0.00 H new ATOM 0 HA3 GLY A 32 7.220 -6.649 4.236 1.00 0.00 H new ATOM 480 N ALA A 33 8.064 -3.489 3.892 1.00 0.00 N ATOM 481 CA ALA A 33 7.656 -2.124 4.181 1.00 0.00 C ATOM 482 C ALA A 33 6.439 -1.765 3.358 1.00 0.00 C ATOM 483 O ALA A 33 6.359 -2.095 2.172 1.00 0.00 O ATOM 484 CB ALA A 33 8.794 -1.155 3.916 1.00 0.00 C ATOM 0 H ALA A 33 9.030 -3.583 3.579 1.00 0.00 H new ATOM 0 HA ALA A 33 7.396 -2.051 5.237 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.467 -0.140 4.139 1.00 0.00 H new ATOM 0 HB2 ALA A 33 9.644 -1.410 4.550 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.090 -1.219 2.869 1.00 0.00 H new ATOM 490 N PHE A 34 5.477 -1.120 3.998 1.00 0.00 N ATOM 491 CA PHE A 34 4.244 -0.758 3.324 1.00 0.00 C ATOM 492 C PHE A 34 3.955 0.734 3.357 1.00 0.00 C ATOM 493 O PHE A 34 4.071 1.389 4.389 1.00 0.00 O ATOM 494 CB PHE A 34 3.076 -1.492 3.950 1.00 0.00 C ATOM 495 CG PHE A 34 1.779 -0.786 3.691 1.00 0.00 C ATOM 496 CD1 PHE A 34 1.322 -0.626 2.399 1.00 0.00 C ATOM 497 CD2 PHE A 34 1.031 -0.259 4.719 1.00 0.00 C ATOM 498 CE1 PHE A 34 0.145 0.045 2.141 1.00 0.00 C ATOM 499 CE2 PHE A 34 -0.130 0.408 4.468 1.00 0.00 C ATOM 500 CZ PHE A 34 -0.581 0.569 3.182 1.00 0.00 C ATOM 0 H PHE A 34 5.527 -0.838 4.977 1.00 0.00 H new ATOM 0 HA PHE A 34 4.373 -1.045 2.280 1.00 0.00 H new ATOM 0 HB2 PHE A 34 3.026 -2.505 3.551 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.235 -1.580 5.025 1.00 0.00 H new ATOM 0 HD1 PHE A 34 1.894 -1.032 1.578 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.369 -0.376 5.738 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -0.204 0.158 1.125 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.701 0.814 5.290 1.00 0.00 H new ATOM 0 HZ PHE A 34 -1.500 1.104 2.990 1.00 0.00 H new ATOM 510 N MET A 35 3.537 1.252 2.216 1.00 0.00 N ATOM 511 CA MET A 35 3.180 2.654 2.093 1.00 0.00 C ATOM 512 C MET A 35 1.970 2.794 1.191 1.00 0.00 C ATOM 513 O MET A 35 1.530 1.821 0.579 1.00 0.00 O ATOM 514 CB MET A 35 4.346 3.453 1.523 1.00 0.00 C ATOM 515 CG MET A 35 4.139 4.955 1.526 1.00 0.00 C ATOM 516 SD MET A 35 5.556 5.820 0.856 1.00 0.00 S ATOM 517 CE MET A 35 6.632 5.683 2.270 1.00 0.00 C ATOM 0 H MET A 35 3.436 0.717 1.354 1.00 0.00 H new ATOM 0 HA MET A 35 2.942 3.044 3.082 1.00 0.00 H new ATOM 0 HB2 MET A 35 5.244 3.221 2.096 1.00 0.00 H new ATOM 0 HB3 MET A 35 4.528 3.126 0.499 1.00 0.00 H new ATOM 0 HG2 MET A 35 3.253 5.201 0.942 1.00 0.00 H new ATOM 0 HG3 MET A 35 3.954 5.295 2.545 1.00 0.00 H new ATOM 0 HE1 MET A 35 7.336 6.515 2.273 1.00 0.00 H new ATOM 0 HE2 MET A 35 6.038 5.707 3.183 1.00 0.00 H new ATOM 0 HE3 MET A 35 7.181 4.743 2.220 1.00 0.00 H new ATOM 527 N VAL A 36 1.441 4.000 1.095 1.00 0.00 N ATOM 528 CA VAL A 36 0.288 4.245 0.243 1.00 0.00 C ATOM 529 C VAL A 36 0.338 5.633 -0.364 1.00 0.00 C ATOM 530 O VAL A 36 0.894 6.562 0.222 1.00 0.00 O ATOM 531 CB VAL A 36 -1.044 4.062 0.991 1.00 0.00 C ATOM 532 CG1 VAL A 36 -2.216 4.436 0.097 1.00 0.00 C ATOM 533 CG2 VAL A 36 -1.178 2.630 1.480 1.00 0.00 C ATOM 0 H VAL A 36 1.787 4.821 1.592 1.00 0.00 H new ATOM 0 HA VAL A 36 0.335 3.501 -0.552 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.052 4.726 1.855 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.149 4.300 0.644 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.123 5.478 -0.208 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.217 3.798 -0.787 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.124 2.513 2.008 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.151 1.951 0.628 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.355 2.398 2.156 1.00 0.00 H new ATOM 543 N ARG A 37 -0.235 5.767 -1.551 1.00 0.00 N ATOM 544 CA ARG A 37 -0.242 7.040 -2.246 1.00 0.00 C ATOM 545 C ARG A 37 -1.502 7.193 -3.094 1.00 0.00 C ATOM 546 O ARG A 37 -1.781 6.378 -3.972 1.00 0.00 O ATOM 547 CB ARG A 37 1.025 7.159 -3.096 1.00 0.00 C ATOM 548 CG ARG A 37 0.824 6.890 -4.574 1.00 0.00 C ATOM 549 CD ARG A 37 1.931 5.997 -5.112 1.00 0.00 C ATOM 550 NE ARG A 37 2.048 6.085 -6.565 1.00 0.00 N ATOM 551 CZ ARG A 37 2.802 5.267 -7.293 1.00 0.00 C ATOM 552 NH1 ARG A 37 3.507 4.309 -6.703 1.00 0.00 N ATOM 553 NH2 ARG A 37 2.853 5.406 -8.610 1.00 0.00 N ATOM 0 H ARG A 37 -0.700 5.009 -2.050 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.250 7.849 -1.516 1.00 0.00 H new ATOM 0 HB2 ARG A 37 1.434 8.162 -2.976 1.00 0.00 H new ATOM 0 HB3 ARG A 37 1.770 6.463 -2.712 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -0.144 6.415 -4.734 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.811 7.832 -5.122 1.00 0.00 H new ATOM 0 HD2 ARG A 37 2.879 6.279 -4.654 1.00 0.00 H new ATOM 0 HD3 ARG A 37 1.734 4.964 -4.826 1.00 0.00 H new ATOM 0 HE ARG A 37 1.523 6.814 -7.048 1.00 0.00 H new ATOM 0 HH11 ARG A 37 3.471 4.200 -5.690 1.00 0.00 H new ATOM 0 HH12 ARG A 37 4.085 3.682 -7.263 1.00 0.00 H new ATOM 0 HH21 ARG A 37 2.313 6.141 -9.066 1.00 0.00 H new ATOM 0 HH22 ARG A 37 3.432 4.778 -9.167 1.00 0.00 H new ATOM 567 N ASP A 38 -2.273 8.236 -2.801 1.00 0.00 N ATOM 568 CA ASP A 38 -3.520 8.498 -3.511 1.00 0.00 C ATOM 569 C ASP A 38 -3.277 8.795 -4.986 1.00 0.00 C ATOM 570 O ASP A 38 -2.248 9.358 -5.359 1.00 0.00 O ATOM 571 CB ASP A 38 -4.262 9.667 -2.861 1.00 0.00 C ATOM 572 CG ASP A 38 -5.430 10.148 -3.700 1.00 0.00 C ATOM 573 OD1 ASP A 38 -5.208 10.976 -4.609 1.00 0.00 O ATOM 574 OD2 ASP A 38 -6.567 9.696 -3.448 1.00 0.00 O ATOM 0 H ASP A 38 -2.054 8.916 -2.073 1.00 0.00 H new ATOM 0 HA ASP A 38 -4.131 7.598 -3.446 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -4.624 9.363 -1.879 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -3.567 10.492 -2.703 1.00 0.00 H new ATOM 579 N SER A 39 -4.240 8.411 -5.820 1.00 0.00 N ATOM 580 CA SER A 39 -4.147 8.631 -7.256 1.00 0.00 C ATOM 581 C SER A 39 -5.144 9.697 -7.709 1.00 0.00 C ATOM 582 O SER A 39 -5.306 10.726 -7.053 1.00 0.00 O ATOM 583 CB SER A 39 -4.400 7.324 -8.010 1.00 0.00 C ATOM 584 OG SER A 39 -4.613 7.563 -9.391 1.00 0.00 O ATOM 0 H SER A 39 -5.096 7.944 -5.522 1.00 0.00 H new ATOM 0 HA SER A 39 -3.140 8.983 -7.481 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.549 6.656 -7.881 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.269 6.819 -7.587 1.00 0.00 H new ATOM 0 HG SER A 39 -4.771 6.712 -9.850 1.00 0.00 H new ATOM 590 N ARG A 40 -5.808 9.441 -8.832 1.00 0.00 N ATOM 591 CA ARG A 40 -6.790 10.379 -9.372 1.00 0.00 C ATOM 592 C ARG A 40 -8.053 9.647 -9.818 1.00 0.00 C ATOM 593 O ARG A 40 -9.143 10.220 -9.834 1.00 0.00 O ATOM 594 CB ARG A 40 -6.194 11.153 -10.549 1.00 0.00 C ATOM 595 CG ARG A 40 -6.944 12.433 -10.877 1.00 0.00 C ATOM 596 CD ARG A 40 -6.541 13.568 -9.951 1.00 0.00 C ATOM 597 NE ARG A 40 -6.920 13.305 -8.565 1.00 0.00 N ATOM 598 CZ ARG A 40 -6.301 13.841 -7.518 1.00 0.00 C ATOM 599 NH1 ARG A 40 -5.279 14.664 -7.700 1.00 0.00 N ATOM 600 NH2 ARG A 40 -6.705 13.552 -6.288 1.00 0.00 N ATOM 0 H ARG A 40 -5.685 8.593 -9.386 1.00 0.00 H new ATOM 0 HA ARG A 40 -7.057 11.081 -8.582 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -5.156 11.397 -10.324 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -6.187 10.510 -11.429 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -6.746 12.717 -11.910 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -8.017 12.259 -10.795 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -5.463 13.718 -10.010 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -7.010 14.493 -10.286 1.00 0.00 H new ATOM 0 HE ARG A 40 -7.703 12.675 -8.391 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -4.966 14.887 -8.645 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -4.805 15.074 -6.895 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -7.491 12.918 -6.145 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -6.229 13.964 -5.485 1.00 0.00 H new ATOM 614 N THR A 41 -7.896 8.378 -10.175 1.00 0.00 N ATOM 615 CA THR A 41 -9.013 7.552 -10.621 1.00 0.00 C ATOM 616 C THR A 41 -10.200 7.682 -9.656 1.00 0.00 C ATOM 617 O THR A 41 -10.288 8.659 -8.912 1.00 0.00 O ATOM 618 CB THR A 41 -8.546 6.101 -10.744 1.00 0.00 C ATOM 619 OG1 THR A 41 -9.287 5.409 -11.734 1.00 0.00 O ATOM 620 CG2 THR A 41 -8.645 5.326 -9.449 1.00 0.00 C ATOM 0 H THR A 41 -6.998 7.895 -10.164 1.00 0.00 H new ATOM 0 HA THR A 41 -9.354 7.893 -11.598 1.00 0.00 H new ATOM 0 HB THR A 41 -7.494 6.162 -11.024 1.00 0.00 H new ATOM 0 HG1 THR A 41 -9.047 4.459 -11.718 1.00 0.00 H new ATOM 0 HG21 THR A 41 -8.298 4.305 -9.608 1.00 0.00 H new ATOM 0 HG22 THR A 41 -8.027 5.805 -8.690 1.00 0.00 H new ATOM 0 HG23 THR A 41 -9.682 5.308 -9.114 1.00 0.00 H new ATOM 628 N PRO A 42 -11.141 6.713 -9.654 1.00 0.00 N ATOM 629 CA PRO A 42 -12.320 6.752 -8.781 1.00 0.00 C ATOM 630 C PRO A 42 -12.034 7.293 -7.378 1.00 0.00 C ATOM 631 O PRO A 42 -12.959 7.530 -6.602 1.00 0.00 O ATOM 632 CB PRO A 42 -12.734 5.287 -8.725 1.00 0.00 C ATOM 633 CG PRO A 42 -12.395 4.771 -10.080 1.00 0.00 C ATOM 634 CD PRO A 42 -11.150 5.509 -10.511 1.00 0.00 C ATOM 0 HA PRO A 42 -13.085 7.428 -9.163 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -12.195 4.748 -7.945 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -13.797 5.179 -8.510 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -12.221 3.695 -10.055 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -13.213 4.945 -10.779 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -10.255 4.905 -10.362 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -11.186 5.771 -11.569 1.00 0.00 H new ATOM 642 N GLY A 43 -10.761 7.499 -7.058 1.00 0.00 N ATOM 643 CA GLY A 43 -10.408 8.023 -5.749 1.00 0.00 C ATOM 644 C GLY A 43 -9.665 7.025 -4.889 1.00 0.00 C ATOM 645 O GLY A 43 -9.556 7.198 -3.676 1.00 0.00 O ATOM 0 H GLY A 43 -9.971 7.314 -7.676 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.792 8.914 -5.875 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.316 8.334 -5.232 1.00 0.00 H new ATOM 649 N THR A 44 -9.152 5.983 -5.519 1.00 0.00 N ATOM 650 CA THR A 44 -8.410 4.949 -4.812 1.00 0.00 C ATOM 651 C THR A 44 -7.094 5.491 -4.268 1.00 0.00 C ATOM 652 O THR A 44 -6.813 6.687 -4.354 1.00 0.00 O ATOM 653 CB THR A 44 -8.124 3.784 -5.751 1.00 0.00 C ATOM 654 OG1 THR A 44 -6.827 3.262 -5.518 1.00 0.00 O ATOM 655 CG2 THR A 44 -8.206 4.168 -7.209 1.00 0.00 C ATOM 0 H THR A 44 -9.235 5.828 -6.524 1.00 0.00 H new ATOM 0 HA THR A 44 -9.019 4.610 -3.974 1.00 0.00 H new ATOM 0 HB THR A 44 -8.893 3.041 -5.540 1.00 0.00 H new ATOM 0 HG1 THR A 44 -6.890 2.478 -4.934 1.00 0.00 H new ATOM 0 HG21 THR A 44 -7.993 3.296 -7.827 1.00 0.00 H new ATOM 0 HG22 THR A 44 -9.208 4.535 -7.433 1.00 0.00 H new ATOM 0 HG23 THR A 44 -7.477 4.950 -7.421 1.00 0.00 H new ATOM 663 N TYR A 45 -6.290 4.592 -3.714 1.00 0.00 N ATOM 664 CA TYR A 45 -4.992 4.950 -3.157 1.00 0.00 C ATOM 665 C TYR A 45 -3.926 3.959 -3.608 1.00 0.00 C ATOM 666 O TYR A 45 -4.237 2.834 -3.993 1.00 0.00 O ATOM 667 CB TYR A 45 -5.045 4.962 -1.631 1.00 0.00 C ATOM 668 CG TYR A 45 -6.185 5.758 -1.054 1.00 0.00 C ATOM 669 CD1 TYR A 45 -7.495 5.403 -1.317 1.00 0.00 C ATOM 670 CD2 TYR A 45 -5.948 6.849 -0.233 1.00 0.00 C ATOM 671 CE1 TYR A 45 -8.548 6.114 -0.779 1.00 0.00 C ATOM 672 CE2 TYR A 45 -6.993 7.570 0.312 1.00 0.00 C ATOM 673 CZ TYR A 45 -8.293 7.199 0.036 1.00 0.00 C ATOM 674 OH TYR A 45 -9.339 7.911 0.576 1.00 0.00 O ATOM 0 H TYR A 45 -6.517 3.601 -3.638 1.00 0.00 H new ATOM 0 HA TYR A 45 -4.738 5.947 -3.517 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.118 3.935 -1.274 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.107 5.366 -1.250 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -7.698 4.555 -1.954 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -4.931 7.140 -0.016 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -9.566 5.824 -0.994 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -6.794 8.418 0.950 1.00 0.00 H new ATOM 0 HH TYR A 45 -9.875 7.322 1.148 1.00 0.00 H new ATOM 684 N THR A 46 -2.667 4.369 -3.540 1.00 0.00 N ATOM 685 CA THR A 46 -1.568 3.492 -3.920 1.00 0.00 C ATOM 686 C THR A 46 -0.928 2.904 -2.668 1.00 0.00 C ATOM 687 O THR A 46 -0.973 3.521 -1.608 1.00 0.00 O ATOM 688 CB THR A 46 -0.523 4.248 -4.733 1.00 0.00 C ATOM 689 OG1 THR A 46 -1.142 5.064 -5.713 1.00 0.00 O ATOM 690 CG2 THR A 46 0.443 3.326 -5.443 1.00 0.00 C ATOM 0 H THR A 46 -2.382 5.297 -3.227 1.00 0.00 H new ATOM 0 HA THR A 46 -1.964 2.688 -4.540 1.00 0.00 H new ATOM 0 HB THR A 46 0.030 4.854 -4.015 1.00 0.00 H new ATOM 0 HG1 THR A 46 -1.694 5.743 -5.272 1.00 0.00 H new ATOM 0 HG21 THR A 46 1.164 3.918 -6.006 1.00 0.00 H new ATOM 0 HG22 THR A 46 0.969 2.715 -4.709 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.107 2.679 -6.126 1.00 0.00 H new ATOM 698 N VAL A 47 -0.343 1.716 -2.785 1.00 0.00 N ATOM 699 CA VAL A 47 0.291 1.067 -1.641 1.00 0.00 C ATOM 700 C VAL A 47 1.722 0.646 -1.952 1.00 0.00 C ATOM 701 O VAL A 47 1.951 -0.243 -2.771 1.00 0.00 O ATOM 702 CB VAL A 47 -0.491 -0.183 -1.183 1.00 0.00 C ATOM 703 CG1 VAL A 47 0.359 -1.027 -0.240 1.00 0.00 C ATOM 704 CG2 VAL A 47 -1.801 0.214 -0.519 1.00 0.00 C ATOM 0 H VAL A 47 -0.294 1.185 -3.655 1.00 0.00 H new ATOM 0 HA VAL A 47 0.293 1.809 -0.842 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.726 -0.782 -2.062 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.207 -1.904 0.073 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.266 -1.345 -0.754 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.627 -0.436 0.636 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.336 -0.682 -0.204 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.594 0.837 0.351 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.414 0.772 -1.227 1.00 0.00 H new ATOM 714 N SER A 48 2.681 1.271 -1.277 1.00 0.00 N ATOM 715 CA SER A 48 4.084 0.926 -1.477 1.00 0.00 C ATOM 716 C SER A 48 4.471 -0.227 -0.563 1.00 0.00 C ATOM 717 O SER A 48 4.568 -0.060 0.655 1.00 0.00 O ATOM 718 CB SER A 48 5.012 2.114 -1.194 1.00 0.00 C ATOM 719 OG SER A 48 5.701 1.927 0.029 1.00 0.00 O ATOM 0 H SER A 48 2.516 2.011 -0.594 1.00 0.00 H new ATOM 0 HA SER A 48 4.200 0.639 -2.522 1.00 0.00 H new ATOM 0 HB2 SER A 48 5.728 2.225 -2.008 1.00 0.00 H new ATOM 0 HB3 SER A 48 4.431 3.035 -1.153 1.00 0.00 H new ATOM 0 HG SER A 48 5.157 1.377 0.630 1.00 0.00 H new ATOM 725 N VAL A 49 4.703 -1.389 -1.152 1.00 0.00 N ATOM 726 CA VAL A 49 5.096 -2.566 -0.394 1.00 0.00 C ATOM 727 C VAL A 49 6.486 -3.009 -0.824 1.00 0.00 C ATOM 728 O VAL A 49 6.672 -3.495 -1.940 1.00 0.00 O ATOM 729 CB VAL A 49 4.100 -3.722 -0.591 1.00 0.00 C ATOM 730 CG1 VAL A 49 2.677 -3.250 -0.338 1.00 0.00 C ATOM 731 CG2 VAL A 49 4.234 -4.310 -1.987 1.00 0.00 C ATOM 0 H VAL A 49 4.625 -1.543 -2.157 1.00 0.00 H new ATOM 0 HA VAL A 49 5.100 -2.301 0.663 1.00 0.00 H new ATOM 0 HB VAL A 49 4.332 -4.504 0.132 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.987 -4.081 -0.482 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.592 -2.881 0.684 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.430 -2.449 -1.034 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.522 -5.126 -2.108 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.030 -3.537 -2.728 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.247 -4.688 -2.127 1.00 0.00 H new ATOM 741 N PHE A 50 7.470 -2.811 0.048 1.00 0.00 N ATOM 742 CA PHE A 50 8.843 -3.169 -0.285 1.00 0.00 C ATOM 743 C PHE A 50 9.476 -4.079 0.765 1.00 0.00 C ATOM 744 O PHE A 50 9.253 -3.924 1.973 1.00 0.00 O ATOM 745 CB PHE A 50 9.676 -1.899 -0.471 1.00 0.00 C ATOM 746 CG PHE A 50 10.781 -1.737 0.527 1.00 0.00 C ATOM 747 CD1 PHE A 50 10.540 -1.136 1.748 1.00 0.00 C ATOM 748 CD2 PHE A 50 12.062 -2.171 0.236 1.00 0.00 C ATOM 749 CE1 PHE A 50 11.558 -0.968 2.664 1.00 0.00 C ATOM 750 CE2 PHE A 50 13.084 -2.010 1.149 1.00 0.00 C ATOM 751 CZ PHE A 50 12.831 -1.406 2.364 1.00 0.00 C ATOM 0 H PHE A 50 7.345 -2.410 0.978 1.00 0.00 H new ATOM 0 HA PHE A 50 8.823 -3.732 -1.218 1.00 0.00 H new ATOM 0 HB2 PHE A 50 10.105 -1.903 -1.473 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.017 -1.033 -0.410 1.00 0.00 H new ATOM 0 HD1 PHE A 50 9.544 -0.794 1.988 1.00 0.00 H new ATOM 0 HD2 PHE A 50 12.264 -2.641 -0.715 1.00 0.00 H new ATOM 0 HE1 PHE A 50 11.358 -0.495 3.614 1.00 0.00 H new ATOM 0 HE2 PHE A 50 14.080 -2.356 0.913 1.00 0.00 H new ATOM 0 HZ PHE A 50 13.630 -1.276 3.080 1.00 0.00 H new ATOM 761 N THR A 51 10.272 -5.033 0.279 1.00 0.00 N ATOM 762 CA THR A 51 10.956 -5.988 1.140 1.00 0.00 C ATOM 763 C THR A 51 12.347 -6.298 0.614 1.00 0.00 C ATOM 764 O THR A 51 12.500 -7.077 -0.327 1.00 0.00 O ATOM 765 CB THR A 51 10.164 -7.289 1.207 1.00 0.00 C ATOM 766 OG1 THR A 51 9.095 -7.189 2.129 1.00 0.00 O ATOM 767 CG2 THR A 51 11.010 -8.477 1.603 1.00 0.00 C ATOM 0 H THR A 51 10.457 -5.162 -0.716 1.00 0.00 H new ATOM 0 HA THR A 51 11.037 -5.542 2.131 1.00 0.00 H new ATOM 0 HB THR A 51 9.788 -7.449 0.197 1.00 0.00 H new ATOM 0 HG1 THR A 51 9.123 -7.950 2.746 1.00 0.00 H new ATOM 0 HG21 THR A 51 10.389 -9.372 1.633 1.00 0.00 H new ATOM 0 HG22 THR A 51 11.809 -8.614 0.874 1.00 0.00 H new ATOM 0 HG23 THR A 51 11.443 -8.303 2.588 1.00 0.00 H new ATOM 775 N LYS A 52 13.362 -5.705 1.224 1.00 0.00 N ATOM 776 CA LYS A 52 14.723 -5.957 0.796 1.00 0.00 C ATOM 777 C LYS A 52 14.838 -7.359 0.202 1.00 0.00 C ATOM 778 O LYS A 52 14.814 -8.360 0.917 1.00 0.00 O ATOM 779 CB LYS A 52 15.689 -5.803 1.973 1.00 0.00 C ATOM 780 CG LYS A 52 16.782 -6.860 2.005 1.00 0.00 C ATOM 781 CD LYS A 52 16.483 -7.937 3.036 1.00 0.00 C ATOM 782 CE LYS A 52 15.921 -7.342 4.317 1.00 0.00 C ATOM 783 NZ LYS A 52 16.669 -6.126 4.741 1.00 0.00 N ATOM 0 H LYS A 52 13.269 -5.056 2.005 1.00 0.00 H new ATOM 0 HA LYS A 52 14.987 -5.227 0.030 1.00 0.00 H new ATOM 0 HB2 LYS A 52 16.150 -4.816 1.927 1.00 0.00 H new ATOM 0 HB3 LYS A 52 15.124 -5.848 2.904 1.00 0.00 H new ATOM 0 HG2 LYS A 52 16.879 -7.315 1.019 1.00 0.00 H new ATOM 0 HG3 LYS A 52 17.738 -6.390 2.235 1.00 0.00 H new ATOM 0 HD2 LYS A 52 15.771 -8.651 2.622 1.00 0.00 H new ATOM 0 HD3 LYS A 52 17.395 -8.491 3.260 1.00 0.00 H new ATOM 0 HE2 LYS A 52 14.871 -7.089 4.169 1.00 0.00 H new ATOM 0 HE3 LYS A 52 15.961 -8.088 5.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 16.667 -6.061 5.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 17.650 -6.185 4.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 16.214 -5.281 4.341 1.00 0.00 H new ATOM 797 N ALA A 53 14.971 -7.403 -1.118 1.00 0.00 N ATOM 798 CA ALA A 53 15.103 -8.660 -1.839 1.00 0.00 C ATOM 799 C ALA A 53 15.119 -8.436 -3.347 1.00 0.00 C ATOM 800 O ALA A 53 14.377 -7.604 -3.869 1.00 0.00 O ATOM 801 CB ALA A 53 13.973 -9.604 -1.456 1.00 0.00 C ATOM 0 H ALA A 53 14.990 -6.575 -1.713 1.00 0.00 H new ATOM 0 HA ALA A 53 16.055 -9.111 -1.559 1.00 0.00 H new ATOM 0 HB1 ALA A 53 14.081 -10.542 -2.001 1.00 0.00 H new ATOM 0 HB2 ALA A 53 14.011 -9.801 -0.385 1.00 0.00 H new ATOM 0 HB3 ALA A 53 13.016 -9.147 -1.707 1.00 0.00 H new ATOM 807 N ILE A 54 15.970 -9.188 -4.040 1.00 0.00 N ATOM 808 CA ILE A 54 16.089 -9.079 -5.490 1.00 0.00 C ATOM 809 C ILE A 54 17.430 -8.472 -5.886 1.00 0.00 C ATOM 810 O ILE A 54 17.493 -7.338 -6.361 1.00 0.00 O ATOM 811 CB ILE A 54 14.955 -8.228 -6.090 1.00 0.00 C ATOM 812 CG1 ILE A 54 13.597 -8.863 -5.790 1.00 0.00 C ATOM 813 CG2 ILE A 54 15.151 -8.067 -7.590 1.00 0.00 C ATOM 814 CD1 ILE A 54 12.537 -7.860 -5.391 1.00 0.00 C ATOM 0 H ILE A 54 16.589 -9.881 -3.619 1.00 0.00 H new ATOM 0 HA ILE A 54 16.018 -10.091 -5.888 1.00 0.00 H new ATOM 0 HB ILE A 54 14.981 -7.240 -5.631 1.00 0.00 H new ATOM 0 HG12 ILE A 54 13.257 -9.408 -6.671 1.00 0.00 H new ATOM 0 HG13 ILE A 54 13.715 -9.593 -4.989 1.00 0.00 H new ATOM 0 HG21 ILE A 54 14.341 -7.463 -8.000 1.00 0.00 H new ATOM 0 HG22 ILE A 54 16.104 -7.574 -7.782 1.00 0.00 H new ATOM 0 HG23 ILE A 54 15.148 -9.048 -8.065 1.00 0.00 H new ATOM 0 HD11 ILE A 54 11.600 -8.380 -5.193 1.00 0.00 H new ATOM 0 HD12 ILE A 54 12.856 -7.332 -4.492 1.00 0.00 H new ATOM 0 HD13 ILE A 54 12.391 -7.144 -6.200 1.00 0.00 H new ATOM 826 N ILE A 55 18.500 -9.235 -5.691 1.00 0.00 N ATOM 827 CA ILE A 55 19.840 -8.772 -6.029 1.00 0.00 C ATOM 828 C ILE A 55 19.833 -7.990 -7.338 1.00 0.00 C ATOM 829 O ILE A 55 20.726 -7.183 -7.596 1.00 0.00 O ATOM 830 CB ILE A 55 20.826 -9.948 -6.153 1.00 0.00 C ATOM 831 CG1 ILE A 55 21.226 -10.457 -4.766 1.00 0.00 C ATOM 832 CG2 ILE A 55 22.057 -9.528 -6.943 1.00 0.00 C ATOM 833 CD1 ILE A 55 20.044 -10.803 -3.887 1.00 0.00 C ATOM 0 H ILE A 55 18.465 -10.177 -5.301 1.00 0.00 H new ATOM 0 HA ILE A 55 20.165 -8.120 -5.218 1.00 0.00 H new ATOM 0 HB ILE A 55 20.333 -10.759 -6.689 1.00 0.00 H new ATOM 0 HG12 ILE A 55 21.856 -11.340 -4.879 1.00 0.00 H new ATOM 0 HG13 ILE A 55 21.829 -9.697 -4.269 1.00 0.00 H new ATOM 0 HG21 ILE A 55 22.744 -10.371 -7.021 1.00 0.00 H new ATOM 0 HG22 ILE A 55 21.757 -9.210 -7.942 1.00 0.00 H new ATOM 0 HG23 ILE A 55 22.553 -8.702 -6.433 1.00 0.00 H new ATOM 0 HD11 ILE A 55 20.401 -11.157 -2.920 1.00 0.00 H new ATOM 0 HD12 ILE A 55 19.426 -9.917 -3.744 1.00 0.00 H new ATOM 0 HD13 ILE A 55 19.453 -11.585 -4.364 1.00 0.00 H new ATOM 845 N SER A 56 18.819 -8.236 -8.163 1.00 0.00 N ATOM 846 CA SER A 56 18.695 -7.556 -9.445 1.00 0.00 C ATOM 847 C SER A 56 18.384 -6.075 -9.250 1.00 0.00 C ATOM 848 O SER A 56 18.818 -5.232 -10.035 1.00 0.00 O ATOM 849 CB SER A 56 17.600 -8.211 -10.289 1.00 0.00 C ATOM 850 OG SER A 56 17.973 -9.519 -10.684 1.00 0.00 O ATOM 0 H SER A 56 18.072 -8.902 -7.965 1.00 0.00 H new ATOM 0 HA SER A 56 19.648 -7.642 -9.966 1.00 0.00 H new ATOM 0 HB2 SER A 56 16.672 -8.251 -9.718 1.00 0.00 H new ATOM 0 HB3 SER A 56 17.405 -7.603 -11.172 1.00 0.00 H new ATOM 0 HG SER A 56 17.255 -9.916 -11.221 1.00 0.00 H new ATOM 856 N GLU A 57 17.630 -5.766 -8.200 1.00 0.00 N ATOM 857 CA GLU A 57 17.265 -4.385 -7.906 1.00 0.00 C ATOM 858 C GLU A 57 16.798 -4.238 -6.460 1.00 0.00 C ATOM 859 O GLU A 57 16.003 -3.357 -6.137 1.00 0.00 O ATOM 860 CB GLU A 57 16.172 -3.912 -8.868 1.00 0.00 C ATOM 861 CG GLU A 57 14.918 -3.408 -8.174 1.00 0.00 C ATOM 862 CD GLU A 57 13.776 -3.161 -9.139 1.00 0.00 C ATOM 863 OE1 GLU A 57 13.941 -2.326 -10.053 1.00 0.00 O ATOM 864 OE2 GLU A 57 12.715 -3.801 -8.980 1.00 0.00 O ATOM 0 H GLU A 57 17.261 -6.451 -7.540 1.00 0.00 H new ATOM 0 HA GLU A 57 18.149 -3.762 -8.041 1.00 0.00 H new ATOM 0 HB2 GLU A 57 16.573 -3.116 -9.495 1.00 0.00 H new ATOM 0 HB3 GLU A 57 15.903 -4.735 -9.530 1.00 0.00 H new ATOM 0 HG2 GLU A 57 14.605 -4.135 -7.425 1.00 0.00 H new ATOM 0 HG3 GLU A 57 15.147 -2.483 -7.644 1.00 0.00 H new ATOM 871 N ASN A 58 17.308 -5.104 -5.592 1.00 0.00 N ATOM 872 CA ASN A 58 16.950 -5.069 -4.178 1.00 0.00 C ATOM 873 C ASN A 58 17.588 -3.864 -3.492 1.00 0.00 C ATOM 874 O ASN A 58 18.636 -3.381 -3.921 1.00 0.00 O ATOM 875 CB ASN A 58 17.395 -6.359 -3.487 1.00 0.00 C ATOM 876 CG ASN A 58 18.450 -6.113 -2.427 1.00 0.00 C ATOM 877 OD1 ASN A 58 18.035 -6.127 -1.164 1.00 0.00 O flip ATOM 878 ND2 ASN A 58 19.624 -5.912 -2.737 1.00 0.00 N flip ATOM 0 H ASN A 58 17.970 -5.839 -5.842 1.00 0.00 H new ATOM 0 HA ASN A 58 15.866 -4.981 -4.101 1.00 0.00 H new ATOM 0 HB2 ASN A 58 16.530 -6.840 -3.030 1.00 0.00 H new ATOM 0 HB3 ASN A 58 17.787 -7.050 -4.233 1.00 0.00 H new ATOM 0 HD21 ASN A 58 19.899 -5.910 -3.719 1.00 0.00 H new ATOM 0 HD22 ASN A 58 20.322 -5.748 -2.012 1.00 0.00 H new ATOM 885 N PRO A 59 16.962 -3.355 -2.416 1.00 0.00 N ATOM 886 CA PRO A 59 15.710 -3.903 -1.875 1.00 0.00 C ATOM 887 C PRO A 59 14.579 -3.912 -2.899 1.00 0.00 C ATOM 888 O PRO A 59 14.758 -3.492 -4.043 1.00 0.00 O ATOM 889 CB PRO A 59 15.374 -2.960 -0.715 1.00 0.00 C ATOM 890 CG PRO A 59 16.669 -2.320 -0.353 1.00 0.00 C ATOM 891 CD PRO A 59 17.438 -2.202 -1.637 1.00 0.00 C ATOM 0 HA PRO A 59 15.825 -4.945 -1.576 1.00 0.00 H new ATOM 0 HB2 PRO A 59 14.635 -2.216 -1.012 1.00 0.00 H new ATOM 0 HB3 PRO A 59 14.954 -3.507 0.129 1.00 0.00 H new ATOM 0 HG2 PRO A 59 16.509 -1.341 0.099 1.00 0.00 H new ATOM 0 HG3 PRO A 59 17.213 -2.922 0.375 1.00 0.00 H new ATOM 0 HD2 PRO A 59 17.233 -1.260 -2.145 1.00 0.00 H new ATOM 0 HD3 PRO A 59 18.514 -2.246 -1.468 1.00 0.00 H new ATOM 899 N CYS A 60 13.416 -4.404 -2.483 1.00 0.00 N ATOM 900 CA CYS A 60 12.257 -4.487 -3.368 1.00 0.00 C ATOM 901 C CYS A 60 11.119 -3.585 -2.900 1.00 0.00 C ATOM 902 O CYS A 60 10.707 -3.641 -1.742 1.00 0.00 O ATOM 903 CB CYS A 60 11.762 -5.931 -3.440 1.00 0.00 C ATOM 904 SG CYS A 60 10.453 -6.202 -4.657 1.00 0.00 S ATOM 0 H CYS A 60 13.250 -4.752 -1.538 1.00 0.00 H new ATOM 0 HA CYS A 60 12.572 -4.148 -4.355 1.00 0.00 H new ATOM 0 HB2 CYS A 60 12.604 -6.581 -3.677 1.00 0.00 H new ATOM 0 HB3 CYS A 60 11.397 -6.228 -2.457 1.00 0.00 H new ATOM 0 HG CYS A 60 9.815 -7.298 -4.372 1.00 0.00 H new ATOM 910 N ILE A 61 10.597 -2.774 -3.820 1.00 0.00 N ATOM 911 CA ILE A 61 9.484 -1.879 -3.513 1.00 0.00 C ATOM 912 C ILE A 61 8.380 -2.017 -4.547 1.00 0.00 C ATOM 913 O ILE A 61 8.523 -1.578 -5.689 1.00 0.00 O ATOM 914 CB ILE A 61 9.915 -0.400 -3.453 1.00 0.00 C ATOM 915 CG1 ILE A 61 11.349 -0.278 -2.937 1.00 0.00 C ATOM 916 CG2 ILE A 61 8.954 0.395 -2.573 1.00 0.00 C ATOM 917 CD1 ILE A 61 11.437 0.170 -1.496 1.00 0.00 C ATOM 0 H ILE A 61 10.928 -2.719 -4.783 1.00 0.00 H new ATOM 0 HA ILE A 61 9.121 -2.175 -2.529 1.00 0.00 H new ATOM 0 HB ILE A 61 9.882 0.013 -4.461 1.00 0.00 H new ATOM 0 HG12 ILE A 61 11.847 -1.242 -3.040 1.00 0.00 H new ATOM 0 HG13 ILE A 61 11.893 0.430 -3.563 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.270 1.438 -2.539 1.00 0.00 H new ATOM 0 HG22 ILE A 61 7.947 0.334 -2.986 1.00 0.00 H new ATOM 0 HG23 ILE A 61 8.958 -0.018 -1.564 1.00 0.00 H new ATOM 0 HD11 ILE A 61 12.484 0.234 -1.198 1.00 0.00 H new ATOM 0 HD12 ILE A 61 10.969 1.149 -1.390 1.00 0.00 H new ATOM 0 HD13 ILE A 61 10.922 -0.549 -0.859 1.00 0.00 H new ATOM 929 N LYS A 62 7.273 -2.620 -4.139 1.00 0.00 N ATOM 930 CA LYS A 62 6.137 -2.809 -5.027 1.00 0.00 C ATOM 931 C LYS A 62 5.046 -1.800 -4.715 1.00 0.00 C ATOM 932 O LYS A 62 4.750 -1.537 -3.550 1.00 0.00 O ATOM 933 CB LYS A 62 5.571 -4.217 -4.887 1.00 0.00 C ATOM 934 CG LYS A 62 4.807 -4.679 -6.115 1.00 0.00 C ATOM 935 CD LYS A 62 5.682 -5.504 -7.038 1.00 0.00 C ATOM 936 CE LYS A 62 4.861 -6.541 -7.780 1.00 0.00 C ATOM 937 NZ LYS A 62 3.402 -6.381 -7.522 1.00 0.00 N ATOM 0 H LYS A 62 7.138 -2.987 -3.197 1.00 0.00 H new ATOM 0 HA LYS A 62 6.485 -2.663 -6.050 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.388 -4.912 -4.692 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.910 -4.251 -4.021 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.944 -5.269 -5.807 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.424 -3.812 -6.654 1.00 0.00 H new ATOM 0 HD2 LYS A 62 6.181 -4.850 -7.753 1.00 0.00 H new ATOM 0 HD3 LYS A 62 6.463 -5.998 -6.460 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.052 -6.458 -8.850 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.176 -7.539 -7.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.868 -7.029 -8.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.199 -6.602 -6.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.119 -5.401 -7.724 1.00 0.00 H new ATOM 951 N HIS A 63 4.441 -1.244 -5.752 1.00 0.00 N ATOM 952 CA HIS A 63 3.380 -0.279 -5.561 1.00 0.00 C ATOM 953 C HIS A 63 2.027 -0.906 -5.867 1.00 0.00 C ATOM 954 O HIS A 63 1.694 -1.163 -7.024 1.00 0.00 O ATOM 955 CB HIS A 63 3.607 0.935 -6.457 1.00 0.00 C ATOM 956 CG HIS A 63 4.871 1.676 -6.152 1.00 0.00 C ATOM 957 ND1 HIS A 63 5.227 2.102 -4.892 1.00 0.00 N ATOM 958 CD2 HIS A 63 5.878 2.063 -6.976 1.00 0.00 C ATOM 959 CE1 HIS A 63 6.411 2.722 -4.986 1.00 0.00 C ATOM 960 NE2 HIS A 63 6.849 2.725 -6.231 1.00 0.00 N ATOM 0 H HIS A 63 4.667 -1.445 -6.726 1.00 0.00 H new ATOM 0 HA HIS A 63 3.388 0.042 -4.519 1.00 0.00 H new ATOM 0 HB2 HIS A 63 3.628 0.610 -7.497 1.00 0.00 H new ATOM 0 HB3 HIS A 63 2.762 1.616 -6.353 1.00 0.00 H new ATOM 0 HD1 HIS A 63 4.685 1.969 -4.038 1.00 0.00 H new ATOM 0 HD2 HIS A 63 5.919 1.885 -8.040 1.00 0.00 H new ATOM 0 HE1 HIS A 63 6.938 3.162 -4.152 1.00 0.00 H new ATOM 968 N TYR A 64 1.250 -1.143 -4.818 1.00 0.00 N ATOM 969 CA TYR A 64 -0.070 -1.732 -4.962 1.00 0.00 C ATOM 970 C TYR A 64 -1.149 -0.668 -4.853 1.00 0.00 C ATOM 971 O TYR A 64 -1.251 0.016 -3.835 1.00 0.00 O ATOM 972 CB TYR A 64 -0.293 -2.792 -3.893 1.00 0.00 C ATOM 973 CG TYR A 64 0.525 -4.027 -4.129 1.00 0.00 C ATOM 974 CD1 TYR A 64 1.902 -3.992 -3.995 1.00 0.00 C ATOM 975 CD2 TYR A 64 -0.074 -5.220 -4.502 1.00 0.00 C ATOM 976 CE1 TYR A 64 2.662 -5.113 -4.223 1.00 0.00 C ATOM 977 CE2 TYR A 64 0.682 -6.350 -4.731 1.00 0.00 C ATOM 978 CZ TYR A 64 2.052 -6.293 -4.590 1.00 0.00 C ATOM 979 OH TYR A 64 2.812 -7.417 -4.819 1.00 0.00 O ATOM 0 H TYR A 64 1.515 -0.934 -3.855 1.00 0.00 H new ATOM 0 HA TYR A 64 -0.129 -2.194 -5.948 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -0.044 -2.376 -2.916 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -1.349 -3.059 -3.866 1.00 0.00 H new ATOM 0 HD1 TYR A 64 2.386 -3.070 -3.707 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -1.147 -5.265 -4.615 1.00 0.00 H new ATOM 0 HE1 TYR A 64 3.736 -5.070 -4.115 1.00 0.00 H new ATOM 0 HE2 TYR A 64 0.204 -7.274 -5.019 1.00 0.00 H new ATOM 0 HH TYR A 64 3.759 -7.206 -4.679 1.00 0.00 H new ATOM 989 N HIS A 65 -1.962 -0.533 -5.891 1.00 0.00 N ATOM 990 CA HIS A 65 -3.032 0.447 -5.866 1.00 0.00 C ATOM 991 C HIS A 65 -4.298 -0.169 -5.317 1.00 0.00 C ATOM 992 O HIS A 65 -4.591 -1.341 -5.561 1.00 0.00 O ATOM 993 CB HIS A 65 -3.309 1.030 -7.246 1.00 0.00 C ATOM 994 CG HIS A 65 -3.535 2.497 -7.204 1.00 0.00 C ATOM 995 ND1 HIS A 65 -3.517 3.229 -6.047 1.00 0.00 N ATOM 996 CD2 HIS A 65 -3.799 3.369 -8.196 1.00 0.00 C ATOM 997 CE1 HIS A 65 -3.766 4.501 -6.364 1.00 0.00 C ATOM 998 NE2 HIS A 65 -3.945 4.644 -7.661 1.00 0.00 N ATOM 0 H HIS A 65 -1.901 -1.082 -6.748 1.00 0.00 H new ATOM 0 HA HIS A 65 -2.705 1.259 -5.217 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -2.468 0.813 -7.905 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -4.184 0.542 -7.675 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -3.344 2.866 -5.109 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -3.884 3.117 -9.243 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -3.815 5.309 -5.649 1.00 0.00 H new ATOM 1006 N ILE A 66 -5.052 0.625 -4.581 1.00 0.00 N ATOM 1007 CA ILE A 66 -6.296 0.143 -4.006 1.00 0.00 C ATOM 1008 C ILE A 66 -7.447 0.404 -4.958 1.00 0.00 C ATOM 1009 O ILE A 66 -7.912 1.532 -5.089 1.00 0.00 O ATOM 1010 CB ILE A 66 -6.593 0.816 -2.650 1.00 0.00 C ATOM 1011 CG1 ILE A 66 -5.441 1.738 -2.256 1.00 0.00 C ATOM 1012 CG2 ILE A 66 -6.827 -0.232 -1.571 1.00 0.00 C ATOM 1013 CD1 ILE A 66 -4.087 1.060 -2.274 1.00 0.00 C ATOM 0 H ILE A 66 -4.829 1.597 -4.368 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.187 -0.929 -3.841 1.00 0.00 H new ATOM 0 HB ILE A 66 -7.500 1.412 -2.750 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.420 2.590 -2.936 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.627 2.132 -1.257 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.035 0.263 -0.622 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -7.676 -0.856 -1.848 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -5.938 -0.854 -1.469 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.318 1.776 -1.984 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.089 0.225 -1.573 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.878 0.691 -3.278 1.00 0.00 H new ATOM 1025 N LYS A 67 -7.916 -0.648 -5.612 1.00 0.00 N ATOM 1026 CA LYS A 67 -9.022 -0.524 -6.537 1.00 0.00 C ATOM 1027 C LYS A 67 -10.292 -0.224 -5.760 1.00 0.00 C ATOM 1028 O LYS A 67 -10.390 -0.577 -4.584 1.00 0.00 O ATOM 1029 CB LYS A 67 -9.184 -1.805 -7.356 1.00 0.00 C ATOM 1030 CG LYS A 67 -10.275 -1.718 -8.411 1.00 0.00 C ATOM 1031 CD LYS A 67 -10.043 -0.548 -9.355 1.00 0.00 C ATOM 1032 CE LYS A 67 -8.561 -0.277 -9.552 1.00 0.00 C ATOM 1033 NZ LYS A 67 -8.309 1.110 -10.035 1.00 0.00 N ATOM 0 H LYS A 67 -7.546 -1.594 -5.517 1.00 0.00 H new ATOM 0 HA LYS A 67 -8.822 0.293 -7.230 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.237 -2.037 -7.843 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -9.407 -2.632 -6.682 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -10.307 -2.647 -8.981 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -11.245 -1.609 -7.925 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -10.507 -0.759 -10.319 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -10.527 0.344 -8.957 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -8.035 -0.435 -8.611 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -8.154 -0.990 -10.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -7.286 1.255 -10.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -8.790 1.253 -10.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -8.675 1.792 -9.340 1.00 0.00 H new ATOM 1047 N GLU A 68 -11.248 0.437 -6.414 1.00 0.00 N ATOM 1048 CA GLU A 68 -12.514 0.813 -5.782 1.00 0.00 C ATOM 1049 C GLU A 68 -13.683 0.080 -6.435 1.00 0.00 C ATOM 1050 O GLU A 68 -13.732 -0.059 -7.657 1.00 0.00 O ATOM 1051 CB GLU A 68 -12.725 2.326 -5.916 1.00 0.00 C ATOM 1052 CG GLU A 68 -12.306 3.127 -4.693 1.00 0.00 C ATOM 1053 CD GLU A 68 -10.947 2.720 -4.160 1.00 0.00 C ATOM 1054 OE1 GLU A 68 -10.268 1.908 -4.821 1.00 0.00 O ATOM 1055 OE2 GLU A 68 -10.559 3.218 -3.083 1.00 0.00 O ATOM 0 H GLU A 68 -11.168 0.725 -7.389 1.00 0.00 H new ATOM 0 HA GLU A 68 -12.471 0.535 -4.729 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -12.165 2.684 -6.780 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -13.779 2.518 -6.118 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -12.289 4.187 -4.947 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -13.052 3.000 -3.908 1.00 0.00 H new ATOM 1062 N THR A 69 -14.624 -0.392 -5.617 1.00 0.00 N ATOM 1063 CA THR A 69 -15.785 -1.111 -6.135 1.00 0.00 C ATOM 1064 C THR A 69 -17.040 -0.797 -5.325 1.00 0.00 C ATOM 1065 O THR A 69 -16.964 -0.205 -4.248 1.00 0.00 O ATOM 1066 CB THR A 69 -15.523 -2.618 -6.122 1.00 0.00 C ATOM 1067 OG1 THR A 69 -16.720 -3.334 -5.875 1.00 0.00 O ATOM 1068 CG2 THR A 69 -14.511 -3.040 -5.079 1.00 0.00 C ATOM 0 H THR A 69 -14.605 -0.290 -4.602 1.00 0.00 H new ATOM 0 HA THR A 69 -15.950 -0.781 -7.161 1.00 0.00 H new ATOM 0 HB THR A 69 -15.122 -2.850 -7.109 1.00 0.00 H new ATOM 0 HG1 THR A 69 -16.531 -4.296 -5.872 1.00 0.00 H new ATOM 0 HG21 THR A 69 -14.372 -4.120 -5.123 1.00 0.00 H new ATOM 0 HG22 THR A 69 -13.560 -2.543 -5.273 1.00 0.00 H new ATOM 0 HG23 THR A 69 -14.871 -2.761 -4.089 1.00 0.00 H new ATOM 1076 N ASN A 70 -18.194 -1.201 -5.849 1.00 0.00 N ATOM 1077 CA ASN A 70 -19.466 -0.969 -5.174 1.00 0.00 C ATOM 1078 C ASN A 70 -19.510 -1.706 -3.842 1.00 0.00 C ATOM 1079 O ASN A 70 -20.076 -2.795 -3.738 1.00 0.00 O ATOM 1080 CB ASN A 70 -20.630 -1.420 -6.059 1.00 0.00 C ATOM 1081 CG ASN A 70 -21.146 -0.306 -6.948 1.00 0.00 C ATOM 1082 OD1 ASN A 70 -20.356 0.752 -7.091 1.00 0.00 O flip ATOM 1083 ND2 ASN A 70 -22.244 -0.394 -7.500 1.00 0.00 N flip ATOM 0 H ASN A 70 -18.274 -1.691 -6.740 1.00 0.00 H new ATOM 0 HA ASN A 70 -19.560 0.100 -4.984 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -20.308 -2.256 -6.679 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -21.442 -1.784 -5.429 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -22.819 -1.225 -7.363 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -22.578 0.364 -8.094 1.00 0.00 H new ATOM 1090 N ASP A 71 -18.896 -1.110 -2.826 1.00 0.00 N ATOM 1091 CA ASP A 71 -18.848 -1.707 -1.499 1.00 0.00 C ATOM 1092 C ASP A 71 -20.204 -2.265 -1.081 1.00 0.00 C ATOM 1093 O ASP A 71 -21.248 -1.697 -1.404 1.00 0.00 O ATOM 1094 CB ASP A 71 -18.373 -0.678 -0.470 1.00 0.00 C ATOM 1095 CG ASP A 71 -19.209 -0.697 0.795 1.00 0.00 C ATOM 1096 OD1 ASP A 71 -20.390 -0.298 0.731 1.00 0.00 O ATOM 1097 OD2 ASP A 71 -18.680 -1.109 1.848 1.00 0.00 O ATOM 0 H ASP A 71 -18.423 -0.209 -2.898 1.00 0.00 H new ATOM 0 HA ASP A 71 -18.140 -2.535 -1.539 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -17.331 -0.876 -0.217 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -18.410 0.318 -0.912 1.00 0.00 H new ATOM 1102 N SER A 72 -20.181 -3.383 -0.355 1.00 0.00 N ATOM 1103 CA SER A 72 -21.408 -4.013 0.110 1.00 0.00 C ATOM 1104 C SER A 72 -21.164 -4.921 1.320 1.00 0.00 C ATOM 1105 O SER A 72 -21.889 -5.897 1.514 1.00 0.00 O ATOM 1106 CB SER A 72 -22.046 -4.820 -1.021 1.00 0.00 C ATOM 1107 OG SER A 72 -21.829 -6.209 -0.843 1.00 0.00 O ATOM 0 H SER A 72 -19.327 -3.867 -0.079 1.00 0.00 H new ATOM 0 HA SER A 72 -22.085 -3.217 0.422 1.00 0.00 H new ATOM 0 HB2 SER A 72 -23.116 -4.618 -1.057 1.00 0.00 H new ATOM 0 HB3 SER A 72 -21.630 -4.503 -1.977 1.00 0.00 H new ATOM 0 HG SER A 72 -22.212 -6.493 0.013 1.00 0.00 H new ATOM 1113 N PRO A 73 -20.144 -4.630 2.154 1.00 0.00 N ATOM 1114 CA PRO A 73 -19.238 -3.502 2.004 1.00 0.00 C ATOM 1115 C PRO A 73 -17.880 -3.914 1.429 1.00 0.00 C ATOM 1116 O PRO A 73 -17.159 -4.709 2.031 1.00 0.00 O ATOM 1117 CB PRO A 73 -19.078 -3.065 3.455 1.00 0.00 C ATOM 1118 CG PRO A 73 -19.152 -4.342 4.248 1.00 0.00 C ATOM 1119 CD PRO A 73 -19.786 -5.392 3.353 1.00 0.00 C ATOM 0 HA PRO A 73 -19.609 -2.739 1.320 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -18.128 -2.555 3.613 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -19.865 -2.370 3.749 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -18.157 -4.656 4.564 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -19.744 -4.199 5.152 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -19.092 -6.201 3.125 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -20.661 -5.845 3.819 1.00 0.00 H new ATOM 1127 N LYS A 74 -17.540 -3.372 0.265 1.00 0.00 N ATOM 1128 CA LYS A 74 -16.278 -3.681 -0.395 1.00 0.00 C ATOM 1129 C LYS A 74 -16.023 -2.736 -1.567 1.00 0.00 C ATOM 1130 O LYS A 74 -16.602 -2.896 -2.642 1.00 0.00 O ATOM 1131 CB LYS A 74 -16.287 -5.126 -0.895 1.00 0.00 C ATOM 1132 CG LYS A 74 -17.530 -5.913 -0.510 1.00 0.00 C ATOM 1133 CD LYS A 74 -18.732 -5.491 -1.337 1.00 0.00 C ATOM 1134 CE LYS A 74 -18.806 -6.263 -2.645 1.00 0.00 C ATOM 1135 NZ LYS A 74 -19.895 -5.760 -3.527 1.00 0.00 N ATOM 0 H LYS A 74 -18.127 -2.711 -0.244 1.00 0.00 H new ATOM 0 HA LYS A 74 -15.478 -3.551 0.334 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -16.195 -5.123 -1.981 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -15.410 -5.640 -0.502 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -17.346 -6.978 -0.650 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -17.744 -5.763 0.548 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -19.645 -5.655 -0.764 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -18.674 -4.423 -1.546 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -17.852 -6.186 -3.166 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -18.969 -7.320 -2.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -19.739 -6.098 -4.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -20.811 -6.110 -3.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -19.896 -4.720 -3.518 1.00 0.00 H new ATOM 1149 N ARG A 75 -15.159 -1.746 -1.354 1.00 0.00 N ATOM 1150 CA ARG A 75 -14.842 -0.774 -2.395 1.00 0.00 C ATOM 1151 C ARG A 75 -13.400 -0.875 -2.869 1.00 0.00 C ATOM 1152 O ARG A 75 -13.142 -1.147 -4.041 1.00 0.00 O ATOM 1153 CB ARG A 75 -15.095 0.641 -1.892 1.00 0.00 C ATOM 1154 CG ARG A 75 -16.548 1.055 -1.987 1.00 0.00 C ATOM 1155 CD ARG A 75 -16.950 1.950 -0.828 1.00 0.00 C ATOM 1156 NE ARG A 75 -17.021 1.212 0.427 1.00 0.00 N ATOM 1157 CZ ARG A 75 -17.805 1.560 1.443 1.00 0.00 C ATOM 1158 NH1 ARG A 75 -18.578 2.633 1.349 1.00 0.00 N ATOM 1159 NH2 ARG A 75 -17.818 0.834 2.553 1.00 0.00 N ATOM 0 H ARG A 75 -14.668 -1.597 -0.473 1.00 0.00 H new ATOM 0 HA ARG A 75 -15.493 -1.001 -3.239 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -14.770 0.715 -0.854 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -14.486 1.339 -2.467 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -16.717 1.579 -2.928 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -17.180 0.167 -1.998 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -16.231 2.764 -0.731 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -17.919 2.404 -1.038 1.00 0.00 H new ATOM 0 HE ARG A 75 -16.437 0.382 0.532 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -18.572 3.193 0.496 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -19.179 2.899 2.129 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -17.226 0.007 2.628 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -18.420 1.103 3.331 1.00 0.00 H new ATOM 1173 N TYR A 76 -12.461 -0.601 -1.970 1.00 0.00 N ATOM 1174 CA TYR A 76 -11.055 -0.608 -2.334 1.00 0.00 C ATOM 1175 C TYR A 76 -10.404 -1.973 -2.173 1.00 0.00 C ATOM 1176 O TYR A 76 -10.720 -2.726 -1.254 1.00 0.00 O ATOM 1177 CB TYR A 76 -10.298 0.424 -1.509 1.00 0.00 C ATOM 1178 CG TYR A 76 -11.076 1.695 -1.317 1.00 0.00 C ATOM 1179 CD1 TYR A 76 -12.255 1.908 -2.013 1.00 0.00 C ATOM 1180 CD2 TYR A 76 -10.639 2.677 -0.444 1.00 0.00 C ATOM 1181 CE1 TYR A 76 -12.981 3.063 -1.846 1.00 0.00 C ATOM 1182 CE2 TYR A 76 -11.359 3.843 -0.270 1.00 0.00 C ATOM 1183 CZ TYR A 76 -12.532 4.033 -0.974 1.00 0.00 C ATOM 1184 OH TYR A 76 -13.255 5.191 -0.804 1.00 0.00 O ATOM 0 H TYR A 76 -12.648 -0.374 -0.993 1.00 0.00 H new ATOM 0 HA TYR A 76 -11.004 -0.355 -3.393 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -10.058 -0.001 -0.534 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -9.352 0.652 -1.999 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -12.610 1.153 -2.699 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -9.723 2.529 0.108 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -13.899 3.211 -2.395 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -11.007 4.602 0.413 1.00 0.00 H new ATOM 0 HH TYR A 76 -14.207 5.007 -0.948 1.00 0.00 H new ATOM 1194 N TYR A 77 -9.471 -2.259 -3.072 1.00 0.00 N ATOM 1195 CA TYR A 77 -8.722 -3.521 -3.053 1.00 0.00 C ATOM 1196 C TYR A 77 -7.462 -3.416 -3.910 1.00 0.00 C ATOM 1197 O TYR A 77 -7.245 -2.417 -4.585 1.00 0.00 O ATOM 1198 CB TYR A 77 -9.589 -4.691 -3.537 1.00 0.00 C ATOM 1199 CG TYR A 77 -9.970 -4.615 -4.998 1.00 0.00 C ATOM 1200 CD1 TYR A 77 -10.914 -3.694 -5.434 1.00 0.00 C ATOM 1201 CD2 TYR A 77 -9.394 -5.464 -5.944 1.00 0.00 C ATOM 1202 CE1 TYR A 77 -11.276 -3.614 -6.764 1.00 0.00 C ATOM 1203 CE2 TYR A 77 -9.753 -5.385 -7.278 1.00 0.00 C ATOM 1204 CZ TYR A 77 -10.691 -4.461 -7.681 1.00 0.00 C ATOM 1205 OH TYR A 77 -11.051 -4.386 -9.008 1.00 0.00 O ATOM 0 H TYR A 77 -9.209 -1.631 -3.832 1.00 0.00 H new ATOM 0 HA TYR A 77 -8.431 -3.714 -2.020 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.053 -5.624 -3.361 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -10.498 -4.728 -2.937 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -11.374 -3.028 -4.719 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -8.659 -6.191 -5.631 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -12.013 -2.892 -7.084 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -9.299 -6.046 -8.001 1.00 0.00 H new ATOM 0 HH TYR A 77 -10.546 -5.050 -9.522 1.00 0.00 H new ATOM 1215 N VAL A 78 -6.629 -4.452 -3.879 1.00 0.00 N ATOM 1216 CA VAL A 78 -5.396 -4.457 -4.662 1.00 0.00 C ATOM 1217 C VAL A 78 -5.075 -5.854 -5.167 1.00 0.00 C ATOM 1218 O VAL A 78 -4.002 -6.391 -4.897 1.00 0.00 O ATOM 1219 CB VAL A 78 -4.195 -3.949 -3.846 1.00 0.00 C ATOM 1220 CG1 VAL A 78 -4.377 -2.487 -3.475 1.00 0.00 C ATOM 1221 CG2 VAL A 78 -3.994 -4.802 -2.605 1.00 0.00 C ATOM 0 H VAL A 78 -6.783 -5.294 -3.324 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.565 -3.786 -5.504 1.00 0.00 H new ATOM 0 HB VAL A 78 -3.301 -4.031 -4.464 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.516 -2.148 -2.898 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.464 -1.889 -4.382 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.282 -2.373 -2.878 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.140 -4.428 -2.040 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.888 -4.756 -1.983 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.809 -5.835 -2.900 1.00 0.00 H new ATOM 1231 N ALA A 79 -6.014 -6.444 -5.894 1.00 0.00 N ATOM 1232 CA ALA A 79 -5.825 -7.785 -6.422 1.00 0.00 C ATOM 1233 C ALA A 79 -7.156 -8.426 -6.777 1.00 0.00 C ATOM 1234 O ALA A 79 -7.360 -9.613 -6.518 1.00 0.00 O ATOM 1235 CB ALA A 79 -5.108 -8.652 -5.400 1.00 0.00 C ATOM 0 H ALA A 79 -6.910 -6.016 -6.130 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.222 -7.706 -7.327 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.971 -9.655 -5.805 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.135 -8.217 -5.172 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.703 -8.707 -4.488 1.00 0.00 H new ATOM 1241 N GLU A 80 -8.078 -7.651 -7.341 1.00 0.00 N ATOM 1242 CA GLU A 80 -9.381 -8.203 -7.671 1.00 0.00 C ATOM 1243 C GLU A 80 -9.775 -9.154 -6.558 1.00 0.00 C ATOM 1244 O GLU A 80 -10.560 -10.085 -6.744 1.00 0.00 O ATOM 1245 CB GLU A 80 -9.331 -8.927 -9.013 1.00 0.00 C ATOM 1246 CG GLU A 80 -8.392 -8.268 -10.007 1.00 0.00 C ATOM 1247 CD GLU A 80 -9.069 -7.945 -11.325 1.00 0.00 C ATOM 1248 OE1 GLU A 80 -10.269 -8.260 -11.468 1.00 0.00 O ATOM 1249 OE2 GLU A 80 -8.400 -7.376 -12.213 1.00 0.00 O ATOM 0 H GLU A 80 -7.950 -6.666 -7.573 1.00 0.00 H new ATOM 0 HA GLU A 80 -10.120 -7.407 -7.761 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -9.016 -9.958 -8.852 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -10.334 -8.963 -9.438 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -7.995 -7.351 -9.573 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.543 -8.927 -10.191 1.00 0.00 H new ATOM 1256 N LYS A 81 -9.186 -8.897 -5.398 1.00 0.00 N ATOM 1257 CA LYS A 81 -9.403 -9.693 -4.208 1.00 0.00 C ATOM 1258 C LYS A 81 -10.073 -8.841 -3.131 1.00 0.00 C ATOM 1259 O LYS A 81 -10.710 -7.841 -3.451 1.00 0.00 O ATOM 1260 CB LYS A 81 -8.057 -10.240 -3.742 1.00 0.00 C ATOM 1261 CG LYS A 81 -7.537 -9.629 -2.460 1.00 0.00 C ATOM 1262 CD LYS A 81 -6.225 -8.904 -2.686 1.00 0.00 C ATOM 1263 CE LYS A 81 -6.445 -7.412 -2.846 1.00 0.00 C ATOM 1264 NZ LYS A 81 -5.905 -6.650 -1.690 1.00 0.00 N ATOM 0 H LYS A 81 -8.538 -8.121 -5.260 1.00 0.00 H new ATOM 0 HA LYS A 81 -10.067 -10.531 -4.419 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -8.146 -11.318 -3.605 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -7.322 -10.078 -4.530 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -8.275 -8.933 -2.061 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -7.399 -10.410 -1.713 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -5.555 -9.088 -1.846 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -5.736 -9.300 -3.576 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -5.966 -7.070 -3.763 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -7.511 -7.210 -2.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -6.205 -5.657 -1.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -6.265 -7.061 -0.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -4.866 -6.699 -1.697 1.00 0.00 H new ATOM 1278 N TYR A 82 -9.945 -9.223 -1.861 1.00 0.00 N ATOM 1279 CA TYR A 82 -10.570 -8.448 -0.798 1.00 0.00 C ATOM 1280 C TYR A 82 -10.588 -6.971 -1.154 1.00 0.00 C ATOM 1281 O TYR A 82 -9.628 -6.442 -1.713 1.00 0.00 O ATOM 1282 CB TYR A 82 -9.877 -8.602 0.562 1.00 0.00 C ATOM 1283 CG TYR A 82 -8.648 -9.472 0.592 1.00 0.00 C ATOM 1284 CD1 TYR A 82 -7.487 -9.111 -0.078 1.00 0.00 C ATOM 1285 CD2 TYR A 82 -8.638 -10.637 1.342 1.00 0.00 C ATOM 1286 CE1 TYR A 82 -6.354 -9.894 -0.003 1.00 0.00 C ATOM 1287 CE2 TYR A 82 -7.513 -11.427 1.415 1.00 0.00 C ATOM 1288 CZ TYR A 82 -6.371 -11.051 0.742 1.00 0.00 C ATOM 1289 OH TYR A 82 -5.242 -11.834 0.818 1.00 0.00 O ATOM 0 H TYR A 82 -9.427 -10.045 -1.551 1.00 0.00 H new ATOM 0 HA TYR A 82 -11.582 -8.843 -0.708 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -9.602 -7.610 0.920 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -10.600 -9.007 1.270 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -7.471 -8.205 -0.666 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -9.528 -10.930 1.879 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -5.457 -9.600 -0.527 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -7.525 -12.337 1.997 1.00 0.00 H new ATOM 0 HH TYR A 82 -5.422 -12.613 1.384 1.00 0.00 H new ATOM 1299 N VAL A 83 -11.676 -6.306 -0.800 1.00 0.00 N ATOM 1300 CA VAL A 83 -11.813 -4.883 -1.050 1.00 0.00 C ATOM 1301 C VAL A 83 -12.474 -4.217 0.149 1.00 0.00 C ATOM 1302 O VAL A 83 -13.484 -4.701 0.660 1.00 0.00 O ATOM 1303 CB VAL A 83 -12.614 -4.600 -2.332 1.00 0.00 C ATOM 1304 CG1 VAL A 83 -12.348 -5.682 -3.365 1.00 0.00 C ATOM 1305 CG2 VAL A 83 -14.098 -4.490 -2.035 1.00 0.00 C ATOM 0 H VAL A 83 -12.479 -6.732 -0.337 1.00 0.00 H new ATOM 0 HA VAL A 83 -10.816 -4.467 -1.196 1.00 0.00 H new ATOM 0 HB VAL A 83 -12.286 -3.643 -2.738 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -12.920 -5.471 -4.268 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -11.285 -5.702 -3.605 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -12.648 -6.650 -2.963 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -14.640 -4.290 -2.959 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -14.453 -5.425 -1.602 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -14.269 -3.676 -1.331 1.00 0.00 H new ATOM 1315 N PHE A 84 -11.877 -3.133 0.622 1.00 0.00 N ATOM 1316 CA PHE A 84 -12.386 -2.437 1.792 1.00 0.00 C ATOM 1317 C PHE A 84 -12.833 -1.020 1.459 1.00 0.00 C ATOM 1318 O PHE A 84 -12.458 -0.460 0.427 1.00 0.00 O ATOM 1319 CB PHE A 84 -11.309 -2.429 2.878 1.00 0.00 C ATOM 1320 CG PHE A 84 -10.624 -3.759 3.012 1.00 0.00 C ATOM 1321 CD1 PHE A 84 -10.031 -4.356 1.909 1.00 0.00 C ATOM 1322 CD2 PHE A 84 -10.586 -4.423 4.227 1.00 0.00 C ATOM 1323 CE1 PHE A 84 -9.418 -5.587 2.014 1.00 0.00 C ATOM 1324 CE2 PHE A 84 -9.968 -5.655 4.339 1.00 0.00 C ATOM 1325 CZ PHE A 84 -9.386 -6.238 3.230 1.00 0.00 C ATOM 0 H PHE A 84 -11.040 -2.717 0.213 1.00 0.00 H new ATOM 0 HA PHE A 84 -13.267 -2.966 2.155 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -10.569 -1.663 2.647 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -11.761 -2.158 3.832 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -10.050 -3.850 0.955 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -11.044 -3.974 5.096 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -8.964 -6.041 1.146 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -9.940 -6.161 5.293 1.00 0.00 H new ATOM 0 HZ PHE A 84 -8.907 -7.202 3.315 1.00 0.00 H new ATOM 1335 N ASP A 85 -13.646 -0.454 2.342 1.00 0.00 N ATOM 1336 CA ASP A 85 -14.163 0.895 2.159 1.00 0.00 C ATOM 1337 C ASP A 85 -13.058 1.925 2.328 1.00 0.00 C ATOM 1338 O ASP A 85 -13.166 3.051 1.840 1.00 0.00 O ATOM 1339 CB ASP A 85 -15.286 1.171 3.160 1.00 0.00 C ATOM 1340 CG ASP A 85 -14.789 1.888 4.400 1.00 0.00 C ATOM 1341 OD1 ASP A 85 -14.493 3.098 4.308 1.00 0.00 O ATOM 1342 OD2 ASP A 85 -14.695 1.239 5.463 1.00 0.00 O ATOM 0 H ASP A 85 -13.963 -0.912 3.197 1.00 0.00 H new ATOM 0 HA ASP A 85 -14.558 0.973 1.146 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -16.058 1.773 2.680 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -15.751 0.229 3.450 1.00 0.00 H new ATOM 1347 N SER A 86 -11.997 1.537 3.024 1.00 0.00 N ATOM 1348 CA SER A 86 -10.880 2.436 3.254 1.00 0.00 C ATOM 1349 C SER A 86 -9.548 1.688 3.276 1.00 0.00 C ATOM 1350 O SER A 86 -9.439 0.555 3.782 1.00 0.00 O ATOM 1351 CB SER A 86 -11.074 3.204 4.561 1.00 0.00 C ATOM 1352 OG SER A 86 -11.270 4.585 4.317 1.00 0.00 O ATOM 0 H SER A 86 -11.889 0.610 3.436 1.00 0.00 H new ATOM 0 HA SER A 86 -10.852 3.143 2.425 1.00 0.00 H new ATOM 0 HB2 SER A 86 -11.932 2.801 5.099 1.00 0.00 H new ATOM 0 HB3 SER A 86 -10.203 3.065 5.201 1.00 0.00 H new ATOM 0 HG SER A 86 -10.441 4.977 3.972 1.00 0.00 H new ATOM 1358 N ILE A 87 -8.536 2.336 2.719 1.00 0.00 N ATOM 1359 CA ILE A 87 -7.210 1.766 2.662 1.00 0.00 C ATOM 1360 C ILE A 87 -6.734 1.343 4.045 1.00 0.00 C ATOM 1361 O ILE A 87 -6.115 0.300 4.190 1.00 0.00 O ATOM 1362 CB ILE A 87 -6.198 2.747 2.048 1.00 0.00 C ATOM 1363 CG1 ILE A 87 -6.124 2.556 0.537 1.00 0.00 C ATOM 1364 CG2 ILE A 87 -4.825 2.546 2.663 1.00 0.00 C ATOM 1365 CD1 ILE A 87 -7.445 2.739 -0.175 1.00 0.00 C ATOM 0 H ILE A 87 -8.615 3.262 2.299 1.00 0.00 H new ATOM 0 HA ILE A 87 -7.272 0.886 2.022 1.00 0.00 H new ATOM 0 HB ILE A 87 -6.532 3.763 2.259 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -5.402 3.263 0.127 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -5.746 1.556 0.326 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -4.120 3.248 2.217 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -4.879 2.719 3.738 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -4.488 1.526 2.476 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -7.306 2.586 -1.245 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -8.166 2.015 0.204 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -7.817 3.748 0.002 1.00 0.00 H new ATOM 1377 N PRO A 88 -7.018 2.133 5.095 1.00 0.00 N ATOM 1378 CA PRO A 88 -6.598 1.780 6.448 1.00 0.00 C ATOM 1379 C PRO A 88 -7.049 0.373 6.804 1.00 0.00 C ATOM 1380 O PRO A 88 -6.248 -0.448 7.251 1.00 0.00 O ATOM 1381 CB PRO A 88 -7.273 2.821 7.344 1.00 0.00 C ATOM 1382 CG PRO A 88 -8.257 3.536 6.472 1.00 0.00 C ATOM 1383 CD PRO A 88 -7.760 3.398 5.059 1.00 0.00 C ATOM 0 HA PRO A 88 -5.514 1.784 6.561 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -7.772 2.345 8.188 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -6.541 3.515 7.757 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -9.252 3.104 6.576 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -8.334 4.586 6.755 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -8.581 3.364 4.343 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -7.121 4.233 4.772 1.00 0.00 H new ATOM 1391 N LEU A 89 -8.321 0.075 6.551 1.00 0.00 N ATOM 1392 CA LEU A 89 -8.831 -1.263 6.795 1.00 0.00 C ATOM 1393 C LEU A 89 -8.220 -2.177 5.750 1.00 0.00 C ATOM 1394 O LEU A 89 -7.615 -3.213 6.071 1.00 0.00 O ATOM 1395 CB LEU A 89 -10.360 -1.310 6.711 1.00 0.00 C ATOM 1396 CG LEU A 89 -11.058 0.045 6.795 1.00 0.00 C ATOM 1397 CD1 LEU A 89 -11.181 0.658 5.412 1.00 0.00 C ATOM 1398 CD2 LEU A 89 -12.428 -0.102 7.439 1.00 0.00 C ATOM 0 H LEU A 89 -9.006 0.735 6.182 1.00 0.00 H new ATOM 0 HA LEU A 89 -8.561 -1.581 7.802 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.642 -1.788 5.773 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.733 -1.943 7.516 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.458 0.709 7.416 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -11.680 1.624 5.485 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -10.188 0.795 4.985 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -11.763 -0.004 4.771 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -12.912 0.873 7.491 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -13.040 -0.779 6.843 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -12.316 -0.506 8.445 1.00 0.00 H new ATOM 1410 N LEU A 90 -8.339 -1.746 4.489 1.00 0.00 N ATOM 1411 CA LEU A 90 -7.758 -2.492 3.389 1.00 0.00 C ATOM 1412 C LEU A 90 -6.286 -2.735 3.699 1.00 0.00 C ATOM 1413 O LEU A 90 -5.726 -3.782 3.378 1.00 0.00 O ATOM 1414 CB LEU A 90 -7.918 -1.717 2.078 1.00 0.00 C ATOM 1415 CG LEU A 90 -7.377 -2.422 0.832 1.00 0.00 C ATOM 1416 CD1 LEU A 90 -8.307 -2.204 -0.350 1.00 0.00 C ATOM 1417 CD2 LEU A 90 -5.975 -1.929 0.509 1.00 0.00 C ATOM 0 H LEU A 90 -8.828 -0.894 4.216 1.00 0.00 H new ATOM 0 HA LEU A 90 -8.270 -3.447 3.272 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -8.977 -1.507 1.926 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -7.414 -0.756 2.179 1.00 0.00 H new ATOM 0 HG LEU A 90 -7.327 -3.492 1.035 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.906 -2.712 -1.227 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -9.293 -2.606 -0.116 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.390 -1.137 -0.556 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -5.605 -2.440 -0.380 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -6.000 -0.855 0.325 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -5.313 -2.138 1.350 1.00 0.00 H new ATOM 1429 N ILE A 91 -5.677 -1.756 4.364 1.00 0.00 N ATOM 1430 CA ILE A 91 -4.287 -1.854 4.773 1.00 0.00 C ATOM 1431 C ILE A 91 -4.187 -2.686 6.038 1.00 0.00 C ATOM 1432 O ILE A 91 -3.347 -3.579 6.151 1.00 0.00 O ATOM 1433 CB ILE A 91 -3.647 -0.477 5.050 1.00 0.00 C ATOM 1434 CG1 ILE A 91 -3.721 0.408 3.812 1.00 0.00 C ATOM 1435 CG2 ILE A 91 -2.197 -0.649 5.487 1.00 0.00 C ATOM 1436 CD1 ILE A 91 -3.027 -0.194 2.620 1.00 0.00 C ATOM 0 H ILE A 91 -6.132 -0.883 4.630 1.00 0.00 H new ATOM 0 HA ILE A 91 -3.749 -2.319 3.947 1.00 0.00 H new ATOM 0 HB ILE A 91 -4.203 0.006 5.853 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -4.767 0.590 3.564 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -3.273 1.376 4.036 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.756 0.329 5.679 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.160 -1.249 6.396 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -1.636 -1.151 4.698 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -3.113 0.482 1.769 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.974 -0.351 2.853 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -3.490 -1.149 2.373 1.00 0.00 H new ATOM 1448 N GLN A 92 -5.064 -2.374 6.989 1.00 0.00 N ATOM 1449 CA GLN A 92 -5.097 -3.076 8.260 1.00 0.00 C ATOM 1450 C GLN A 92 -5.155 -4.573 8.026 1.00 0.00 C ATOM 1451 O GLN A 92 -4.438 -5.337 8.672 1.00 0.00 O ATOM 1452 CB GLN A 92 -6.303 -2.626 9.087 1.00 0.00 C ATOM 1453 CG GLN A 92 -6.050 -1.362 9.892 1.00 0.00 C ATOM 1454 CD GLN A 92 -4.573 -1.054 10.045 1.00 0.00 C ATOM 1455 OE1 GLN A 92 -3.911 -0.764 8.931 1.00 0.00 O flip ATOM 1456 NE2 GLN A 92 -4.033 -1.076 11.151 1.00 0.00 N flip ATOM 0 H GLN A 92 -5.762 -1.636 6.898 1.00 0.00 H new ATOM 0 HA GLN A 92 -4.188 -2.839 8.813 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -7.149 -2.459 8.420 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -6.587 -3.429 9.767 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -6.544 -0.521 9.406 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -6.499 -1.468 10.879 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -4.580 -1.304 11.981 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -3.039 -0.866 11.237 1.00 0.00 H new ATOM 1465 N TYR A 93 -5.999 -4.995 7.089 1.00 0.00 N ATOM 1466 CA TYR A 93 -6.108 -6.416 6.786 1.00 0.00 C ATOM 1467 C TYR A 93 -4.886 -6.891 6.003 1.00 0.00 C ATOM 1468 O TYR A 93 -4.460 -8.036 6.147 1.00 0.00 O ATOM 1469 CB TYR A 93 -7.384 -6.716 6.007 1.00 0.00 C ATOM 1470 CG TYR A 93 -7.175 -6.776 4.516 1.00 0.00 C ATOM 1471 CD1 TYR A 93 -7.052 -5.611 3.778 1.00 0.00 C ATOM 1472 CD2 TYR A 93 -7.108 -7.993 3.845 1.00 0.00 C ATOM 1473 CE1 TYR A 93 -6.870 -5.650 2.412 1.00 0.00 C ATOM 1474 CE2 TYR A 93 -6.928 -8.039 2.477 1.00 0.00 C ATOM 1475 CZ TYR A 93 -6.809 -6.864 1.767 1.00 0.00 C ATOM 1476 OH TYR A 93 -6.641 -6.901 0.405 1.00 0.00 O ATOM 0 H TYR A 93 -6.605 -4.387 6.538 1.00 0.00 H new ATOM 0 HA TYR A 93 -6.152 -6.958 7.731 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -7.794 -7.667 6.348 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -8.127 -5.950 6.232 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -7.099 -4.656 4.281 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -7.198 -8.914 4.402 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -6.776 -4.732 1.851 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -6.881 -8.990 1.967 1.00 0.00 H new ATOM 0 HH TYR A 93 -7.356 -7.437 0.002 1.00 0.00 H new ATOM 1486 N HIS A 94 -4.314 -6.007 5.180 1.00 0.00 N ATOM 1487 CA HIS A 94 -3.134 -6.361 4.401 1.00 0.00 C ATOM 1488 C HIS A 94 -1.913 -6.480 5.308 1.00 0.00 C ATOM 1489 O HIS A 94 -0.923 -7.116 4.953 1.00 0.00 O ATOM 1490 CB HIS A 94 -2.889 -5.345 3.285 1.00 0.00 C ATOM 1491 CG HIS A 94 -3.274 -5.842 1.927 1.00 0.00 C ATOM 1492 ND1 HIS A 94 -4.190 -6.852 1.724 1.00 0.00 N ATOM 1493 CD2 HIS A 94 -2.858 -5.462 0.695 1.00 0.00 C ATOM 1494 CE1 HIS A 94 -4.320 -7.073 0.427 1.00 0.00 C ATOM 1495 NE2 HIS A 94 -3.522 -6.243 -0.219 1.00 0.00 N ATOM 0 H HIS A 94 -4.647 -5.053 5.040 1.00 0.00 H new ATOM 0 HA HIS A 94 -3.310 -7.330 3.935 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -3.450 -4.436 3.503 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -1.833 -5.074 3.278 1.00 0.00 H new ATOM 0 HD1 HIS A 94 -4.690 -7.351 2.460 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -2.138 -4.688 0.473 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -4.969 -7.808 -0.027 1.00 0.00 H new ATOM 1504 N GLN A 95 -1.995 -5.868 6.487 1.00 0.00 N ATOM 1505 CA GLN A 95 -0.901 -5.914 7.451 1.00 0.00 C ATOM 1506 C GLN A 95 -0.922 -7.226 8.231 1.00 0.00 C ATOM 1507 O GLN A 95 0.122 -7.826 8.482 1.00 0.00 O ATOM 1508 CB GLN A 95 -0.992 -4.734 8.422 1.00 0.00 C ATOM 1509 CG GLN A 95 -1.652 -3.502 7.826 1.00 0.00 C ATOM 1510 CD GLN A 95 -1.161 -2.214 8.459 1.00 0.00 C ATOM 1511 OE1 GLN A 95 -0.474 -1.393 7.673 1.00 0.00 O flip ATOM 1512 NE2 GLN A 95 -1.397 -1.961 9.640 1.00 0.00 N flip ATOM 0 H GLN A 95 -2.808 -5.335 6.797 1.00 0.00 H new ATOM 0 HA GLN A 95 0.037 -5.849 6.899 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -1.551 -5.044 9.305 1.00 0.00 H new ATOM 0 HB3 GLN A 95 0.012 -4.472 8.756 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -1.458 -3.473 6.754 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -2.732 -3.576 7.952 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -1.929 -2.622 10.207 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -1.061 -1.091 10.052 1.00 0.00 H new ATOM 1521 N TYR A 96 -2.119 -7.664 8.608 1.00 0.00 N ATOM 1522 CA TYR A 96 -2.276 -8.904 9.358 1.00 0.00 C ATOM 1523 C TYR A 96 -2.447 -10.092 8.416 1.00 0.00 C ATOM 1524 O TYR A 96 -1.517 -10.870 8.207 1.00 0.00 O ATOM 1525 CB TYR A 96 -3.479 -8.807 10.298 1.00 0.00 C ATOM 1526 CG TYR A 96 -3.284 -7.829 11.432 1.00 0.00 C ATOM 1527 CD1 TYR A 96 -2.546 -6.668 11.252 1.00 0.00 C ATOM 1528 CD2 TYR A 96 -3.844 -8.065 12.680 1.00 0.00 C ATOM 1529 CE1 TYR A 96 -2.368 -5.769 12.285 1.00 0.00 C ATOM 1530 CE2 TYR A 96 -3.671 -7.170 13.718 1.00 0.00 C ATOM 1531 CZ TYR A 96 -2.933 -6.024 13.517 1.00 0.00 C ATOM 1532 OH TYR A 96 -2.759 -5.130 14.548 1.00 0.00 O ATOM 0 H TYR A 96 -2.993 -7.179 8.406 1.00 0.00 H new ATOM 0 HA TYR A 96 -1.373 -9.059 9.949 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -4.356 -8.512 9.722 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -3.686 -9.794 10.712 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -2.103 -6.464 10.288 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -4.424 -8.962 12.842 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -1.789 -4.871 12.129 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -4.113 -7.368 14.684 1.00 0.00 H new ATOM 0 HH TYR A 96 -3.222 -5.458 15.347 1.00 0.00 H new ATOM 1542 N ASN A 97 -3.644 -10.224 7.851 1.00 0.00 N ATOM 1543 CA ASN A 97 -3.938 -11.316 6.932 1.00 0.00 C ATOM 1544 C ASN A 97 -2.743 -11.603 6.027 1.00 0.00 C ATOM 1545 O ASN A 97 -1.753 -10.873 6.039 1.00 0.00 O ATOM 1546 CB ASN A 97 -5.165 -10.980 6.083 1.00 0.00 C ATOM 1547 CG ASN A 97 -6.403 -10.745 6.925 1.00 0.00 C ATOM 1548 OD1 ASN A 97 -6.615 -9.497 7.330 1.00 0.00 O flip ATOM 1549 ND2 ASN A 97 -7.161 -11.672 7.208 1.00 0.00 N flip ATOM 0 H ASN A 97 -4.425 -9.588 8.014 1.00 0.00 H new ATOM 0 HA ASN A 97 -4.146 -12.208 7.523 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -4.959 -10.090 5.488 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -5.354 -11.794 5.384 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -6.960 -12.615 6.876 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -7.991 -11.497 7.775 1.00 0.00 H new ATOM 1556 N GLY A 98 -2.844 -12.672 5.244 1.00 0.00 N ATOM 1557 CA GLY A 98 -1.766 -13.037 4.344 1.00 0.00 C ATOM 1558 C GLY A 98 -1.820 -12.275 3.035 1.00 0.00 C ATOM 1559 O GLY A 98 -1.119 -12.613 2.081 1.00 0.00 O ATOM 0 H GLY A 98 -3.653 -13.292 5.217 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -0.810 -12.848 4.832 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -1.814 -14.107 4.140 1.00 0.00 H new ATOM 1563 N GLY A 99 -2.656 -11.242 2.988 1.00 0.00 N ATOM 1564 CA GLY A 99 -2.785 -10.445 1.781 1.00 0.00 C ATOM 1565 C GLY A 99 -1.600 -10.609 0.849 1.00 0.00 C ATOM 1566 O GLY A 99 -0.595 -9.913 0.985 1.00 0.00 O ATOM 0 H GLY A 99 -3.246 -10.943 3.764 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -3.698 -10.729 1.257 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -2.887 -9.394 2.052 1.00 0.00 H new ATOM 1570 N GLY A 100 -1.720 -11.532 -0.101 1.00 0.00 N ATOM 1571 CA GLY A 100 -0.643 -11.768 -1.046 1.00 0.00 C ATOM 1572 C GLY A 100 0.348 -10.622 -1.094 1.00 0.00 C ATOM 1573 O GLY A 100 1.177 -10.471 -0.196 1.00 0.00 O ATOM 0 H GLY A 100 -2.543 -12.120 -0.233 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -0.120 -12.685 -0.775 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -1.063 -11.923 -2.040 1.00 0.00 H new ATOM 1577 N LEU A 101 0.262 -9.812 -2.143 1.00 0.00 N ATOM 1578 CA LEU A 101 1.155 -8.672 -2.304 1.00 0.00 C ATOM 1579 C LEU A 101 2.592 -9.052 -1.958 1.00 0.00 C ATOM 1580 O LEU A 101 2.859 -10.176 -1.532 1.00 0.00 O ATOM 1581 CB LEU A 101 0.693 -7.516 -1.416 1.00 0.00 C ATOM 1582 CG LEU A 101 -0.718 -7.001 -1.701 1.00 0.00 C ATOM 1583 CD1 LEU A 101 -1.762 -7.992 -1.210 1.00 0.00 C ATOM 1584 CD2 LEU A 101 -0.924 -5.640 -1.056 1.00 0.00 C ATOM 0 H LEU A 101 -0.418 -9.924 -2.895 1.00 0.00 H new ATOM 0 HA LEU A 101 1.125 -8.359 -3.348 1.00 0.00 H new ATOM 0 HB2 LEU A 101 0.743 -7.836 -0.375 1.00 0.00 H new ATOM 0 HB3 LEU A 101 1.394 -6.689 -1.529 1.00 0.00 H new ATOM 0 HG LEU A 101 -0.835 -6.893 -2.779 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -2.759 -7.606 -1.423 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -1.626 -8.946 -1.719 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -1.650 -8.136 -0.135 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -1.933 -5.286 -1.268 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -0.787 -5.724 0.022 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -0.199 -4.933 -1.460 1.00 0.00 H new ATOM 1596 N VAL A 102 3.513 -8.111 -2.140 1.00 0.00 N ATOM 1597 CA VAL A 102 4.920 -8.356 -1.842 1.00 0.00 C ATOM 1598 C VAL A 102 5.070 -9.145 -0.549 1.00 0.00 C ATOM 1599 O VAL A 102 5.920 -10.029 -0.443 1.00 0.00 O ATOM 1600 CB VAL A 102 5.711 -7.040 -1.717 1.00 0.00 C ATOM 1601 CG1 VAL A 102 5.283 -6.277 -0.474 1.00 0.00 C ATOM 1602 CG2 VAL A 102 7.207 -7.317 -1.690 1.00 0.00 C ATOM 0 H VAL A 102 3.312 -7.175 -2.491 1.00 0.00 H new ATOM 0 HA VAL A 102 5.324 -8.933 -2.674 1.00 0.00 H new ATOM 0 HB VAL A 102 5.494 -6.423 -2.589 1.00 0.00 H new ATOM 0 HG11 VAL A 102 5.852 -5.350 -0.402 1.00 0.00 H new ATOM 0 HG12 VAL A 102 4.220 -6.046 -0.537 1.00 0.00 H new ATOM 0 HG13 VAL A 102 5.470 -6.887 0.410 1.00 0.00 H new ATOM 0 HG21 VAL A 102 7.750 -6.376 -1.601 1.00 0.00 H new ATOM 0 HG22 VAL A 102 7.444 -7.954 -0.838 1.00 0.00 H new ATOM 0 HG23 VAL A 102 7.501 -7.820 -2.611 1.00 0.00 H new ATOM 1612 N THR A 103 4.236 -8.821 0.433 1.00 0.00 N ATOM 1613 CA THR A 103 4.273 -9.501 1.721 1.00 0.00 C ATOM 1614 C THR A 103 3.250 -8.908 2.687 1.00 0.00 C ATOM 1615 O THR A 103 3.541 -8.702 3.865 1.00 0.00 O ATOM 1616 CB THR A 103 5.681 -9.426 2.320 1.00 0.00 C ATOM 1617 OG1 THR A 103 5.684 -9.908 3.651 1.00 0.00 O ATOM 1618 CG2 THR A 103 6.260 -8.026 2.331 1.00 0.00 C ATOM 0 H THR A 103 3.526 -8.092 0.361 1.00 0.00 H new ATOM 0 HA THR A 103 4.014 -10.547 1.559 1.00 0.00 H new ATOM 0 HB THR A 103 6.302 -10.047 1.674 1.00 0.00 H new ATOM 0 HG1 THR A 103 4.761 -10.044 3.952 1.00 0.00 H new ATOM 0 HG21 THR A 103 7.258 -8.048 2.769 1.00 0.00 H new ATOM 0 HG22 THR A 103 6.320 -7.649 1.310 1.00 0.00 H new ATOM 0 HG23 THR A 103 5.619 -7.372 2.922 1.00 0.00 H new ATOM 1626 N ARG A 104 2.048 -8.647 2.176 1.00 0.00 N ATOM 1627 CA ARG A 104 0.959 -8.088 2.978 1.00 0.00 C ATOM 1628 C ARG A 104 1.474 -7.094 4.019 1.00 0.00 C ATOM 1629 O ARG A 104 2.263 -7.450 4.893 1.00 0.00 O ATOM 1630 CB ARG A 104 0.186 -9.216 3.667 1.00 0.00 C ATOM 1631 CG ARG A 104 1.042 -10.058 4.600 1.00 0.00 C ATOM 1632 CD ARG A 104 0.564 -9.954 6.039 1.00 0.00 C ATOM 1633 NE ARG A 104 1.552 -9.306 6.898 1.00 0.00 N ATOM 1634 CZ ARG A 104 2.818 -9.698 6.989 1.00 0.00 C ATOM 1635 NH1 ARG A 104 3.248 -10.731 6.276 1.00 0.00 N ATOM 1636 NH2 ARG A 104 3.656 -9.058 7.793 1.00 0.00 N ATOM 0 H ARG A 104 1.802 -8.815 1.201 1.00 0.00 H new ATOM 0 HA ARG A 104 0.294 -7.547 2.305 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -0.640 -8.786 4.234 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -0.252 -9.863 2.907 1.00 0.00 H new ATOM 0 HG2 ARG A 104 1.014 -11.100 4.280 1.00 0.00 H new ATOM 0 HG3 ARG A 104 2.080 -9.733 4.536 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -0.369 -9.392 6.071 1.00 0.00 H new ATOM 0 HD3 ARG A 104 0.349 -10.951 6.422 1.00 0.00 H new ATOM 0 HE ARG A 104 1.253 -8.508 7.459 1.00 0.00 H new ATOM 0 HH11 ARG A 104 2.606 -11.226 5.657 1.00 0.00 H new ATOM 0 HH12 ARG A 104 4.220 -11.030 6.347 1.00 0.00 H new ATOM 0 HH21 ARG A 104 3.329 -8.264 8.343 1.00 0.00 H new ATOM 0 HH22 ARG A 104 4.628 -9.360 7.862 1.00 0.00 H new ATOM 1650 N LEU A 105 1.015 -5.845 3.920 1.00 0.00 N ATOM 1651 CA LEU A 105 1.427 -4.797 4.853 1.00 0.00 C ATOM 1652 C LEU A 105 2.284 -5.352 5.981 1.00 0.00 C ATOM 1653 O LEU A 105 1.868 -5.372 7.140 1.00 0.00 O ATOM 1654 CB LEU A 105 0.209 -4.072 5.438 1.00 0.00 C ATOM 1655 CG LEU A 105 -0.394 -2.993 4.552 1.00 0.00 C ATOM 1656 CD1 LEU A 105 0.364 -2.886 3.250 1.00 0.00 C ATOM 1657 CD2 LEU A 105 -1.854 -3.273 4.296 1.00 0.00 C ATOM 0 H LEU A 105 0.358 -5.536 3.203 1.00 0.00 H new ATOM 0 HA LEU A 105 2.027 -4.085 4.286 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -0.562 -4.811 5.658 1.00 0.00 H new ATOM 0 HB3 LEU A 105 0.497 -3.620 6.387 1.00 0.00 H new ATOM 0 HG LEU A 105 -0.314 -2.038 5.072 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -0.084 -2.108 2.631 1.00 0.00 H new ATOM 0 HD12 LEU A 105 1.404 -2.633 3.454 1.00 0.00 H new ATOM 0 HD13 LEU A 105 0.319 -3.839 2.724 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -2.269 -2.491 3.660 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -1.958 -4.237 3.799 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -2.392 -3.294 5.244 1.00 0.00 H new ATOM 1669 N ARG A 106 3.491 -5.783 5.640 1.00 0.00 N ATOM 1670 CA ARG A 106 4.412 -6.317 6.630 1.00 0.00 C ATOM 1671 C ARG A 106 4.801 -5.230 7.616 1.00 0.00 C ATOM 1672 O ARG A 106 4.965 -5.482 8.810 1.00 0.00 O ATOM 1673 CB ARG A 106 5.664 -6.856 5.948 1.00 0.00 C ATOM 1674 CG ARG A 106 5.490 -8.244 5.360 1.00 0.00 C ATOM 1675 CD ARG A 106 6.695 -9.126 5.649 1.00 0.00 C ATOM 1676 NE ARG A 106 7.290 -8.830 6.949 1.00 0.00 N ATOM 1677 CZ ARG A 106 7.057 -9.545 8.046 1.00 0.00 C ATOM 1678 NH1 ARG A 106 6.246 -10.592 7.998 1.00 0.00 N ATOM 1679 NH2 ARG A 106 7.636 -9.213 9.191 1.00 0.00 N ATOM 0 H ARG A 106 3.853 -5.773 4.687 1.00 0.00 H new ATOM 0 HA ARG A 106 3.918 -7.129 7.163 1.00 0.00 H new ATOM 0 HB2 ARG A 106 5.959 -6.169 5.154 1.00 0.00 H new ATOM 0 HB3 ARG A 106 6.480 -6.877 6.670 1.00 0.00 H new ATOM 0 HG2 ARG A 106 4.593 -8.705 5.772 1.00 0.00 H new ATOM 0 HG3 ARG A 106 5.343 -8.168 4.283 1.00 0.00 H new ATOM 0 HD2 ARG A 106 6.394 -10.173 5.618 1.00 0.00 H new ATOM 0 HD3 ARG A 106 7.442 -8.986 4.868 1.00 0.00 H new ATOM 0 HE ARG A 106 7.919 -8.030 7.020 1.00 0.00 H new ATOM 0 HH11 ARG A 106 5.799 -10.851 7.118 1.00 0.00 H new ATOM 0 HH12 ARG A 106 6.069 -11.139 8.841 1.00 0.00 H new ATOM 0 HH21 ARG A 106 8.261 -8.408 9.232 1.00 0.00 H new ATOM 0 HH22 ARG A 106 7.456 -9.762 10.031 1.00 0.00 H new ATOM 1693 N TYR A 107 4.951 -4.017 7.099 1.00 0.00 N ATOM 1694 CA TYR A 107 5.326 -2.878 7.924 1.00 0.00 C ATOM 1695 C TYR A 107 5.183 -1.576 7.149 1.00 0.00 C ATOM 1696 O TYR A 107 6.070 -1.196 6.382 1.00 0.00 O ATOM 1697 CB TYR A 107 6.763 -3.027 8.413 1.00 0.00 C ATOM 1698 CG TYR A 107 7.249 -1.831 9.193 1.00 0.00 C ATOM 1699 CD1 TYR A 107 6.653 -1.481 10.395 1.00 0.00 C ATOM 1700 CD2 TYR A 107 8.294 -1.047 8.724 1.00 0.00 C ATOM 1701 CE1 TYR A 107 7.084 -0.384 11.111 1.00 0.00 C ATOM 1702 CE2 TYR A 107 8.733 0.054 9.434 1.00 0.00 C ATOM 1703 CZ TYR A 107 8.125 0.381 10.628 1.00 0.00 C ATOM 1704 OH TYR A 107 8.557 1.477 11.339 1.00 0.00 O ATOM 0 H TYR A 107 4.818 -3.798 6.112 1.00 0.00 H new ATOM 0 HA TYR A 107 4.655 -2.850 8.782 1.00 0.00 H new ATOM 0 HB2 TYR A 107 6.837 -3.916 9.039 1.00 0.00 H new ATOM 0 HB3 TYR A 107 7.418 -3.185 7.556 1.00 0.00 H new ATOM 0 HD1 TYR A 107 5.838 -2.077 10.777 1.00 0.00 H new ATOM 0 HD2 TYR A 107 8.771 -1.302 7.789 1.00 0.00 H new ATOM 0 HE1 TYR A 107 6.609 -0.125 12.046 1.00 0.00 H new ATOM 0 HE2 TYR A 107 9.547 0.655 9.056 1.00 0.00 H new ATOM 0 HH TYR A 107 9.298 1.905 10.862 1.00 0.00 H new ATOM 1714 N PRO A 108 4.063 -0.866 7.341 1.00 0.00 N ATOM 1715 CA PRO A 108 3.813 0.403 6.665 1.00 0.00 C ATOM 1716 C PRO A 108 4.977 1.375 6.840 1.00 0.00 C ATOM 1717 O PRO A 108 5.278 1.808 7.952 1.00 0.00 O ATOM 1718 CB PRO A 108 2.546 0.939 7.349 1.00 0.00 C ATOM 1719 CG PRO A 108 2.374 0.104 8.574 1.00 0.00 C ATOM 1720 CD PRO A 108 2.957 -1.232 8.231 1.00 0.00 C ATOM 0 HA PRO A 108 3.698 0.281 5.588 1.00 0.00 H new ATOM 0 HB2 PRO A 108 2.653 1.993 7.604 1.00 0.00 H new ATOM 0 HB3 PRO A 108 1.680 0.856 6.692 1.00 0.00 H new ATOM 0 HG2 PRO A 108 2.886 0.549 9.427 1.00 0.00 H new ATOM 0 HG3 PRO A 108 1.322 0.016 8.844 1.00 0.00 H new ATOM 0 HD2 PRO A 108 3.305 -1.764 9.116 1.00 0.00 H new ATOM 0 HD3 PRO A 108 2.232 -1.878 7.736 1.00 0.00 H new ATOM 1728 N VAL A 109 5.631 1.709 5.732 1.00 0.00 N ATOM 1729 CA VAL A 109 6.763 2.623 5.752 1.00 0.00 C ATOM 1730 C VAL A 109 6.327 4.032 5.376 1.00 0.00 C ATOM 1731 O VAL A 109 5.809 4.260 4.283 1.00 0.00 O ATOM 1732 CB VAL A 109 7.866 2.164 4.782 1.00 0.00 C ATOM 1733 CG1 VAL A 109 7.841 3.003 3.514 1.00 0.00 C ATOM 1734 CG2 VAL A 109 9.232 2.228 5.449 1.00 0.00 C ATOM 0 H VAL A 109 5.393 1.357 4.805 1.00 0.00 H new ATOM 0 HA VAL A 109 7.159 2.624 6.767 1.00 0.00 H new ATOM 0 HB VAL A 109 7.675 1.126 4.509 1.00 0.00 H new ATOM 0 HG11 VAL A 109 8.627 2.665 2.839 1.00 0.00 H new ATOM 0 HG12 VAL A 109 6.872 2.896 3.026 1.00 0.00 H new ATOM 0 HG13 VAL A 109 8.005 4.050 3.767 1.00 0.00 H new ATOM 0 HG21 VAL A 109 9.996 1.899 4.745 1.00 0.00 H new ATOM 0 HG22 VAL A 109 9.439 3.253 5.757 1.00 0.00 H new ATOM 0 HG23 VAL A 109 9.241 1.578 6.324 1.00 0.00 H new ATOM 1744 N CYS A 110 6.534 4.974 6.286 1.00 0.00 N ATOM 1745 CA CYS A 110 6.156 6.357 6.047 1.00 0.00 C ATOM 1746 C CYS A 110 7.389 7.251 5.991 1.00 0.00 C ATOM 1747 O CYS A 110 7.812 7.815 7.000 1.00 0.00 O ATOM 1748 CB CYS A 110 5.192 6.839 7.135 1.00 0.00 C ATOM 1749 SG CYS A 110 5.512 8.518 7.726 1.00 0.00 S ATOM 0 H CYS A 110 6.962 4.804 7.196 1.00 0.00 H new ATOM 0 HA CYS A 110 5.650 6.415 5.083 1.00 0.00 H new ATOM 0 HB2 CYS A 110 4.174 6.791 6.749 1.00 0.00 H new ATOM 0 HB3 CYS A 110 5.245 6.153 7.980 1.00 0.00 H new ATOM 0 HG CYS A 110 6.775 8.646 8.008 1.00 0.00 H new ATOM 1755 N GLY A 111 7.963 7.370 4.799 1.00 0.00 N ATOM 1756 CA GLY A 111 9.146 8.192 4.623 1.00 0.00 C ATOM 1757 C GLY A 111 10.418 7.470 5.017 1.00 0.00 C ATOM 1758 O GLY A 111 11.019 6.770 4.202 1.00 0.00 O ATOM 0 H GLY A 111 7.630 6.912 3.951 1.00 0.00 H new ATOM 0 HA2 GLY A 111 9.217 8.503 3.581 1.00 0.00 H new ATOM 0 HA3 GLY A 111 9.047 9.098 5.220 1.00 0.00 H new HETATM 1762 N NH2 A 112 10.839 7.634 6.265 1.00 0.00 N TER 1765 NH2 A 112