USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 696 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 44 THR OG1 : rot -153:sc= -0.226 USER MOD Set 1.2: A 47 SER OG : rot 108:sc= 0.279 USER MOD Single : A 3 GLN : amide:sc= -0.111 X(o=-0.11,f=-0.11) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.05) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 98:sc= -2.19! USER MOD Single : A 9 ASN :FLIP amide:sc= 0.659 F(o=-0.94,f=0.66) USER MOD Single : A 11 LYS NZ :NH3+ -107:sc= 0.156 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.0245) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot -179:sc= -1.83 USER MOD Single : A 41 ASN : amide:sc= -0.0735 K(o=-0.073,f=-1) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.16 K(o=-0.16,f=-1.9!) USER MOD Single : A 69 GLN : amide:sc= 0 K(o=0,f=-1.9) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 GLN : amide:sc= -0.182 K(o=-0.18,f=-2.2!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 ASN : amide:sc= -0.137 K(o=-0.14,f=-1.7!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 ASN :FLIP amide:sc= -0.0299 F(o=-1.3!,f=-0.03) USER MOD ----------------------------------------------------------------- ATOM 31 N GLN A 3 -5.617 6.107 -15.710 1.00 0.00 N ATOM 32 CA GLN A 3 -5.797 4.875 -14.884 1.00 0.00 C ATOM 33 C GLN A 3 -6.040 5.248 -13.412 1.00 0.00 C ATOM 34 O GLN A 3 -5.202 5.010 -12.562 1.00 0.00 O ATOM 35 CB GLN A 3 -4.486 4.098 -15.037 1.00 0.00 C ATOM 36 CG GLN A 3 -4.268 3.733 -16.510 1.00 0.00 C ATOM 37 CD GLN A 3 -5.385 2.793 -16.980 1.00 0.00 C ATOM 38 OE1 GLN A 3 -6.073 3.088 -17.938 1.00 0.00 O ATOM 39 NE2 GLN A 3 -5.601 1.665 -16.349 1.00 0.00 N ATOM 0 HA GLN A 3 -6.657 4.287 -15.204 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -3.652 4.699 -14.674 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -4.515 3.194 -14.429 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -4.258 4.636 -17.121 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -3.298 3.252 -16.636 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -5.027 1.413 -15.545 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -6.343 1.039 -16.662 1.00 0.00 H new ATOM 48 N GLU A 4 -7.182 5.828 -13.100 1.00 0.00 N ATOM 49 CA GLU A 4 -7.463 6.205 -11.672 1.00 0.00 C ATOM 50 C GLU A 4 -8.290 5.109 -10.982 1.00 0.00 C ATOM 51 O GLU A 4 -8.073 4.812 -9.822 1.00 0.00 O ATOM 52 CB GLU A 4 -8.250 7.520 -11.725 1.00 0.00 C ATOM 53 CG GLU A 4 -7.275 8.696 -11.799 1.00 0.00 C ATOM 54 CD GLU A 4 -6.827 8.900 -13.247 1.00 0.00 C ATOM 55 OE1 GLU A 4 -7.677 8.863 -14.121 1.00 0.00 O ATOM 56 OE2 GLU A 4 -5.640 9.089 -13.458 1.00 0.00 O ATOM 0 H GLU A 4 -7.922 6.054 -13.764 1.00 0.00 H new ATOM 0 HA GLU A 4 -6.541 6.318 -11.101 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -8.910 7.526 -12.592 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -8.883 7.613 -10.842 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -7.752 9.601 -11.424 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -6.410 8.505 -11.163 1.00 0.00 H new ATOM 63 N GLN A 5 -9.232 4.491 -11.677 1.00 0.00 N ATOM 64 CA GLN A 5 -10.050 3.402 -11.022 1.00 0.00 C ATOM 65 C GLN A 5 -9.114 2.342 -10.413 1.00 0.00 C ATOM 66 O GLN A 5 -9.367 1.835 -9.336 1.00 0.00 O ATOM 67 CB GLN A 5 -10.952 2.785 -12.112 1.00 0.00 C ATOM 68 CG GLN A 5 -10.102 2.118 -13.201 1.00 0.00 C ATOM 69 CD GLN A 5 -10.978 1.827 -14.426 1.00 0.00 C ATOM 70 OE1 GLN A 5 -12.067 1.307 -14.292 1.00 0.00 O ATOM 71 NE2 GLN A 5 -10.550 2.139 -15.626 1.00 0.00 N ATOM 0 H GLN A 5 -9.466 4.689 -12.650 1.00 0.00 H new ATOM 0 HA GLN A 5 -10.663 3.801 -10.214 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -11.622 2.050 -11.665 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -11.578 3.559 -12.555 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -9.273 2.768 -13.480 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -9.668 1.192 -12.823 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -9.636 2.576 -15.744 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -11.131 1.945 -16.441 1.00 0.00 H new ATOM 80 N TYR A 6 -8.013 2.038 -11.070 1.00 0.00 N ATOM 81 CA TYR A 6 -7.048 1.048 -10.483 1.00 0.00 C ATOM 82 C TYR A 6 -6.272 1.733 -9.347 1.00 0.00 C ATOM 83 O TYR A 6 -5.975 1.122 -8.338 1.00 0.00 O ATOM 84 CB TYR A 6 -6.087 0.632 -11.609 1.00 0.00 C ATOM 85 CG TYR A 6 -6.806 -0.266 -12.587 1.00 0.00 C ATOM 86 CD1 TYR A 6 -7.520 0.290 -13.654 1.00 0.00 C ATOM 87 CD2 TYR A 6 -6.753 -1.656 -12.428 1.00 0.00 C ATOM 88 CE1 TYR A 6 -8.183 -0.543 -14.563 1.00 0.00 C ATOM 89 CE2 TYR A 6 -7.416 -2.490 -13.337 1.00 0.00 C ATOM 90 CZ TYR A 6 -8.131 -1.933 -14.404 1.00 0.00 C ATOM 91 OH TYR A 6 -8.784 -2.756 -15.300 1.00 0.00 O ATOM 0 H TYR A 6 -7.745 2.427 -11.974 1.00 0.00 H new ATOM 0 HA TYR A 6 -7.559 0.173 -10.081 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -5.709 1.516 -12.123 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -5.224 0.113 -11.191 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -7.560 1.362 -13.776 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -6.201 -2.085 -11.605 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -8.734 -0.114 -15.386 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -7.376 -3.562 -13.215 1.00 0.00 H new ATOM 0 HH TYR A 6 -8.646 -3.692 -15.045 1.00 0.00 H new ATOM 101 N THR A 7 -5.954 3.006 -9.496 1.00 0.00 N ATOM 102 CA THR A 7 -5.212 3.726 -8.405 1.00 0.00 C ATOM 103 C THR A 7 -6.129 3.883 -7.181 1.00 0.00 C ATOM 104 O THR A 7 -5.695 3.710 -6.057 1.00 0.00 O ATOM 105 CB THR A 7 -4.823 5.106 -8.980 1.00 0.00 C ATOM 106 OG1 THR A 7 -3.889 4.927 -10.039 1.00 0.00 O ATOM 107 CG2 THR A 7 -4.192 5.992 -7.898 1.00 0.00 C ATOM 0 H THR A 7 -6.174 3.570 -10.317 1.00 0.00 H new ATOM 0 HA THR A 7 -4.325 3.179 -8.085 1.00 0.00 H new ATOM 0 HB THR A 7 -5.725 5.594 -9.349 1.00 0.00 H new ATOM 0 HG1 THR A 7 -4.359 4.957 -10.898 1.00 0.00 H new ATOM 0 HG21 THR A 7 -3.927 6.958 -8.328 1.00 0.00 H new ATOM 0 HG22 THR A 7 -4.905 6.139 -7.087 1.00 0.00 H new ATOM 0 HG23 THR A 7 -3.295 5.509 -7.510 1.00 0.00 H new ATOM 115 N GLU A 8 -7.390 4.202 -7.386 1.00 0.00 N ATOM 116 CA GLU A 8 -8.313 4.356 -6.207 1.00 0.00 C ATOM 117 C GLU A 8 -8.549 2.989 -5.558 1.00 0.00 C ATOM 118 O GLU A 8 -8.559 2.871 -4.346 1.00 0.00 O ATOM 119 CB GLU A 8 -9.633 4.936 -6.739 1.00 0.00 C ATOM 120 CG GLU A 8 -10.544 5.295 -5.564 1.00 0.00 C ATOM 121 CD GLU A 8 -10.313 6.754 -5.167 1.00 0.00 C ATOM 122 OE1 GLU A 8 -9.168 7.175 -5.171 1.00 0.00 O ATOM 123 OE2 GLU A 8 -11.287 7.426 -4.866 1.00 0.00 O ATOM 0 H GLU A 8 -7.815 4.360 -8.300 1.00 0.00 H new ATOM 0 HA GLU A 8 -7.885 5.016 -5.452 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -9.436 5.821 -7.344 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -10.126 4.211 -7.387 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -11.588 5.143 -5.839 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -10.339 4.640 -4.717 1.00 0.00 H new ATOM 130 N ASN A 9 -8.714 1.948 -6.347 1.00 0.00 N ATOM 131 CA ASN A 9 -8.917 0.589 -5.739 1.00 0.00 C ATOM 132 C ASN A 9 -7.571 0.075 -5.212 1.00 0.00 C ATOM 133 O ASN A 9 -7.503 -0.512 -4.149 1.00 0.00 O ATOM 134 CB ASN A 9 -9.449 -0.327 -6.851 1.00 0.00 C ATOM 135 CG ASN A 9 -10.908 0.036 -7.158 1.00 0.00 C ATOM 136 OD1 ASN A 9 -11.879 -0.722 -6.709 1.00 0.00 O flip ATOM 137 ND2 ASN A 9 -11.170 1.022 -7.817 1.00 0.00 N flip ATOM 0 H ASN A 9 -8.717 1.978 -7.367 1.00 0.00 H new ATOM 0 HA ASN A 9 -9.622 0.618 -4.908 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -8.840 -0.219 -7.748 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -9.380 -1.370 -6.542 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -10.418 1.615 -8.169 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -12.142 1.257 -8.019 1.00 0.00 H new ATOM 144 N LEU A 10 -6.492 0.314 -5.932 1.00 0.00 N ATOM 145 CA LEU A 10 -5.151 -0.147 -5.434 1.00 0.00 C ATOM 146 C LEU A 10 -4.781 0.634 -4.165 1.00 0.00 C ATOM 147 O LEU A 10 -4.213 0.082 -3.242 1.00 0.00 O ATOM 148 CB LEU A 10 -4.135 0.134 -6.555 1.00 0.00 C ATOM 149 CG LEU A 10 -2.748 -0.349 -6.126 1.00 0.00 C ATOM 150 CD1 LEU A 10 -2.764 -1.870 -5.957 1.00 0.00 C ATOM 151 CD2 LEU A 10 -1.722 0.032 -7.195 1.00 0.00 C ATOM 0 H LEU A 10 -6.482 0.801 -6.828 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.161 -1.208 -5.186 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -4.440 -0.372 -7.471 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.107 1.201 -6.775 1.00 0.00 H new ATOM 0 HG LEU A 10 -2.479 0.119 -5.179 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -1.775 -2.213 -5.651 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.494 -2.144 -5.196 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.034 -2.338 -6.904 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.734 -0.312 -6.890 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.992 -0.435 -8.142 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.708 1.115 -7.316 1.00 0.00 H new ATOM 163 N LYS A 11 -5.105 1.913 -4.101 1.00 0.00 N ATOM 164 CA LYS A 11 -4.762 2.705 -2.864 1.00 0.00 C ATOM 165 C LYS A 11 -5.426 2.079 -1.627 1.00 0.00 C ATOM 166 O LYS A 11 -4.867 2.113 -0.545 1.00 0.00 O ATOM 167 CB LYS A 11 -5.290 4.132 -3.085 1.00 0.00 C ATOM 168 CG LYS A 11 -4.705 5.066 -2.025 1.00 0.00 C ATOM 169 CD LYS A 11 -5.626 6.275 -1.844 1.00 0.00 C ATOM 170 CE LYS A 11 -5.602 7.130 -3.114 1.00 0.00 C ATOM 171 NZ LYS A 11 -6.865 7.918 -3.069 1.00 0.00 N ATOM 0 H LYS A 11 -5.583 2.434 -4.836 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.685 2.710 -2.693 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.018 4.481 -4.081 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -6.379 4.140 -3.030 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.594 4.536 -1.079 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -3.710 5.395 -2.325 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -6.643 5.943 -1.636 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -5.302 6.867 -0.988 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -4.729 7.783 -3.134 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -5.556 6.508 -4.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -7.532 7.545 -3.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -7.286 7.845 -2.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -6.660 8.915 -3.280 1.00 0.00 H new ATOM 185 N VAL A 12 -6.603 1.500 -1.767 1.00 0.00 N ATOM 186 CA VAL A 12 -7.262 0.872 -0.569 1.00 0.00 C ATOM 187 C VAL A 12 -6.538 -0.434 -0.219 1.00 0.00 C ATOM 188 O VAL A 12 -6.233 -0.688 0.932 1.00 0.00 O ATOM 189 CB VAL A 12 -8.722 0.593 -0.964 1.00 0.00 C ATOM 190 CG1 VAL A 12 -9.452 -0.082 0.199 1.00 0.00 C ATOM 191 CG2 VAL A 12 -9.417 1.913 -1.302 1.00 0.00 C ATOM 0 H VAL A 12 -7.126 1.436 -2.640 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.220 1.523 0.304 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.741 -0.065 -1.833 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.486 -0.278 -0.085 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.958 -1.023 0.442 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.433 0.573 1.070 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.452 1.718 -1.582 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.394 2.569 -0.432 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.901 2.394 -2.133 1.00 0.00 H new ATOM 201 N ILE A 13 -6.251 -1.256 -1.202 1.00 0.00 N ATOM 202 CA ILE A 13 -5.528 -2.542 -0.907 1.00 0.00 C ATOM 203 C ILE A 13 -4.113 -2.236 -0.387 1.00 0.00 C ATOM 204 O ILE A 13 -3.610 -2.930 0.476 1.00 0.00 O ATOM 205 CB ILE A 13 -5.471 -3.333 -2.226 1.00 0.00 C ATOM 206 CG1 ILE A 13 -6.903 -3.603 -2.716 1.00 0.00 C ATOM 207 CG2 ILE A 13 -4.751 -4.666 -1.999 1.00 0.00 C ATOM 208 CD1 ILE A 13 -6.975 -3.419 -4.234 1.00 0.00 C ATOM 0 H ILE A 13 -6.481 -1.098 -2.183 1.00 0.00 H new ATOM 0 HA ILE A 13 -6.040 -3.122 -0.139 1.00 0.00 H new ATOM 0 HB ILE A 13 -4.928 -2.754 -2.973 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -7.204 -4.616 -2.449 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -7.599 -2.924 -2.225 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -4.713 -5.223 -2.935 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -3.737 -4.476 -1.648 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -5.291 -5.248 -1.252 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -7.992 -3.612 -4.576 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -6.693 -2.398 -4.491 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -6.291 -4.117 -4.718 1.00 0.00 H new ATOM 220 N VAL A 14 -3.470 -1.197 -0.888 1.00 0.00 N ATOM 221 CA VAL A 14 -2.091 -0.867 -0.378 1.00 0.00 C ATOM 222 C VAL A 14 -2.191 -0.418 1.088 1.00 0.00 C ATOM 223 O VAL A 14 -1.375 -0.794 1.908 1.00 0.00 O ATOM 224 CB VAL A 14 -1.549 0.273 -1.256 1.00 0.00 C ATOM 225 CG1 VAL A 14 -0.128 0.630 -0.814 1.00 0.00 C ATOM 226 CG2 VAL A 14 -1.533 -0.173 -2.723 1.00 0.00 C ATOM 0 H VAL A 14 -3.831 -0.576 -1.612 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.426 -1.730 -0.425 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.191 1.148 -1.150 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.255 1.438 -1.437 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.141 0.950 0.228 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.515 -0.244 -0.917 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.149 0.635 -3.345 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.893 -1.049 -2.830 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -2.546 -0.423 -3.038 1.00 0.00 H new ATOM 236 N ALA A 15 -3.192 0.374 1.430 1.00 0.00 N ATOM 237 CA ALA A 15 -3.330 0.823 2.863 1.00 0.00 C ATOM 238 C ALA A 15 -3.475 -0.400 3.786 1.00 0.00 C ATOM 239 O ALA A 15 -2.973 -0.401 4.895 1.00 0.00 O ATOM 240 CB ALA A 15 -4.596 1.692 2.937 1.00 0.00 C ATOM 0 H ALA A 15 -3.907 0.723 0.791 1.00 0.00 H new ATOM 0 HA ALA A 15 -2.452 1.383 3.184 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.738 2.042 3.960 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.488 2.549 2.272 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.460 1.102 2.632 1.00 0.00 H new ATOM 246 N GLU A 16 -4.154 -1.447 3.345 1.00 0.00 N ATOM 247 CA GLU A 16 -4.313 -2.666 4.224 1.00 0.00 C ATOM 248 C GLU A 16 -2.935 -3.173 4.681 1.00 0.00 C ATOM 249 O GLU A 16 -2.769 -3.577 5.817 1.00 0.00 O ATOM 250 CB GLU A 16 -5.006 -3.739 3.369 1.00 0.00 C ATOM 251 CG GLU A 16 -5.492 -4.876 4.270 1.00 0.00 C ATOM 252 CD GLU A 16 -5.681 -6.144 3.435 1.00 0.00 C ATOM 253 OE1 GLU A 16 -4.723 -6.563 2.806 1.00 0.00 O ATOM 254 OE2 GLU A 16 -6.780 -6.674 3.440 1.00 0.00 O ATOM 0 H GLU A 16 -4.598 -1.510 2.429 1.00 0.00 H new ATOM 0 HA GLU A 16 -4.896 -2.432 5.115 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -5.847 -3.303 2.831 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.314 -4.125 2.620 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.770 -5.057 5.067 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -6.432 -4.599 4.748 1.00 0.00 H new ATOM 261 N LYS A 17 -1.943 -3.143 3.813 1.00 0.00 N ATOM 262 CA LYS A 17 -0.577 -3.620 4.234 1.00 0.00 C ATOM 263 C LYS A 17 0.131 -2.517 5.035 1.00 0.00 C ATOM 264 O LYS A 17 0.777 -2.794 6.028 1.00 0.00 O ATOM 265 CB LYS A 17 0.208 -3.939 2.950 1.00 0.00 C ATOM 266 CG LYS A 17 0.099 -5.435 2.649 1.00 0.00 C ATOM 267 CD LYS A 17 1.195 -6.190 3.404 1.00 0.00 C ATOM 268 CE LYS A 17 0.639 -6.703 4.734 1.00 0.00 C ATOM 269 NZ LYS A 17 1.583 -7.776 5.156 1.00 0.00 N ATOM 0 H LYS A 17 -2.016 -2.816 2.850 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.646 -4.504 4.867 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -0.186 -3.359 2.116 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.254 -3.656 3.070 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -0.882 -5.806 2.945 1.00 0.00 H new ATOM 0 HG3 LYS A 17 0.195 -5.609 1.577 1.00 0.00 H new ATOM 0 HD2 LYS A 17 1.557 -7.024 2.803 1.00 0.00 H new ATOM 0 HD3 LYS A 17 2.046 -5.533 3.583 1.00 0.00 H new ATOM 0 HE2 LYS A 17 0.590 -5.906 5.476 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -0.373 -7.091 4.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 1.269 -8.178 6.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 1.604 -8.524 4.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 2.536 -7.376 5.267 1.00 0.00 H new ATOM 283 N LEU A 18 0.008 -1.268 4.626 1.00 0.00 N ATOM 284 CA LEU A 18 0.677 -0.166 5.402 1.00 0.00 C ATOM 285 C LEU A 18 0.044 -0.080 6.794 1.00 0.00 C ATOM 286 O LEU A 18 0.722 -0.200 7.798 1.00 0.00 O ATOM 287 CB LEU A 18 0.427 1.133 4.628 1.00 0.00 C ATOM 288 CG LEU A 18 1.168 1.082 3.298 1.00 0.00 C ATOM 289 CD1 LEU A 18 0.433 1.950 2.277 1.00 0.00 C ATOM 290 CD2 LEU A 18 2.590 1.608 3.497 1.00 0.00 C ATOM 0 H LEU A 18 -0.517 -0.969 3.804 1.00 0.00 H new ATOM 0 HA LEU A 18 1.746 -0.345 5.519 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.641 1.267 4.457 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.766 1.988 5.213 1.00 0.00 H new ATOM 0 HG LEU A 18 1.209 0.055 2.934 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.960 1.916 1.324 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.582 1.575 2.144 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.395 2.979 2.634 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.126 1.574 2.549 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.551 2.637 3.855 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.108 0.988 4.229 1.00 0.00 H new ATOM 302 N ALA A 19 -1.259 0.110 6.865 1.00 0.00 N ATOM 303 CA ALA A 19 -1.931 0.181 8.215 1.00 0.00 C ATOM 304 C ALA A 19 -1.663 -1.111 9.014 1.00 0.00 C ATOM 305 O ALA A 19 -1.629 -1.090 10.229 1.00 0.00 O ATOM 306 CB ALA A 19 -3.441 0.325 7.954 1.00 0.00 C ATOM 0 H ALA A 19 -1.879 0.218 6.062 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.547 1.021 8.794 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.971 0.380 8.905 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.626 1.234 7.382 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.797 -0.537 7.390 1.00 0.00 H new ATOM 312 N GLY A 20 -1.481 -2.239 8.346 1.00 0.00 N ATOM 313 CA GLY A 20 -1.229 -3.514 9.080 1.00 0.00 C ATOM 314 C GLY A 20 0.189 -3.527 9.676 1.00 0.00 C ATOM 315 O GLY A 20 0.402 -4.081 10.739 1.00 0.00 O ATOM 0 H GLY A 20 -1.498 -2.321 7.329 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.964 -3.633 9.876 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -1.352 -4.360 8.403 1.00 0.00 H new ATOM 319 N ILE A 21 1.169 -2.935 9.012 1.00 0.00 N ATOM 320 CA ILE A 21 2.569 -2.951 9.584 1.00 0.00 C ATOM 321 C ILE A 21 2.561 -2.351 11.011 1.00 0.00 C ATOM 322 O ILE A 21 2.013 -1.287 11.220 1.00 0.00 O ATOM 323 CB ILE A 21 3.445 -2.105 8.633 1.00 0.00 C ATOM 324 CG1 ILE A 21 3.536 -2.808 7.274 1.00 0.00 C ATOM 325 CG2 ILE A 21 4.857 -1.955 9.209 1.00 0.00 C ATOM 326 CD1 ILE A 21 3.669 -1.769 6.158 1.00 0.00 C ATOM 0 H ILE A 21 1.065 -2.452 8.120 1.00 0.00 H new ATOM 0 HA ILE A 21 2.959 -3.966 9.661 1.00 0.00 H new ATOM 0 HB ILE A 21 2.995 -1.119 8.519 1.00 0.00 H new ATOM 0 HG12 ILE A 21 4.393 -3.481 7.260 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.648 -3.419 7.110 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.465 -1.357 8.530 1.00 0.00 H new ATOM 0 HG22 ILE A 21 4.804 -1.461 10.179 1.00 0.00 H new ATOM 0 HG23 ILE A 21 5.308 -2.940 9.328 1.00 0.00 H new ATOM 0 HD11 ILE A 21 3.733 -2.276 5.195 1.00 0.00 H new ATOM 0 HD12 ILE A 21 2.798 -1.113 6.166 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.570 -1.177 6.317 1.00 0.00 H new ATOM 338 N PRO A 22 3.162 -3.055 11.956 1.00 0.00 N ATOM 339 CA PRO A 22 3.194 -2.561 13.359 1.00 0.00 C ATOM 340 C PRO A 22 4.167 -1.378 13.532 1.00 0.00 C ATOM 341 O PRO A 22 3.992 -0.566 14.423 1.00 0.00 O ATOM 342 CB PRO A 22 3.674 -3.769 14.158 1.00 0.00 C ATOM 343 CG PRO A 22 4.443 -4.600 13.184 1.00 0.00 C ATOM 344 CD PRO A 22 3.853 -4.349 11.822 1.00 0.00 C ATOM 0 HA PRO A 22 2.223 -2.187 13.682 1.00 0.00 H new ATOM 0 HB2 PRO A 22 4.300 -3.464 14.996 1.00 0.00 H new ATOM 0 HB3 PRO A 22 2.834 -4.325 14.574 1.00 0.00 H new ATOM 0 HG2 PRO A 22 5.500 -4.333 13.201 1.00 0.00 H new ATOM 0 HG3 PRO A 22 4.377 -5.657 13.443 1.00 0.00 H new ATOM 0 HD2 PRO A 22 4.626 -4.309 11.055 1.00 0.00 H new ATOM 0 HD3 PRO A 22 3.161 -5.141 11.536 1.00 0.00 H new ATOM 415 N ASP A 27 2.388 8.982 8.159 1.00 0.00 N ATOM 416 CA ASP A 27 2.007 9.092 6.712 1.00 0.00 C ATOM 417 C ASP A 27 1.537 7.732 6.157 1.00 0.00 C ATOM 418 O ASP A 27 1.805 7.404 5.016 1.00 0.00 O ATOM 419 CB ASP A 27 3.283 9.548 5.997 1.00 0.00 C ATOM 420 CG ASP A 27 3.640 10.966 6.446 1.00 0.00 C ATOM 421 OD1 ASP A 27 4.307 11.095 7.459 1.00 0.00 O ATOM 422 OD2 ASP A 27 3.240 11.899 5.769 1.00 0.00 O ATOM 0 HA ASP A 27 1.180 9.787 6.566 1.00 0.00 H new ATOM 0 HB2 ASP A 27 4.103 8.866 6.223 1.00 0.00 H new ATOM 0 HB3 ASP A 27 3.136 9.523 4.917 1.00 0.00 H new ATOM 427 N ILE A 28 0.838 6.940 6.947 1.00 0.00 N ATOM 428 CA ILE A 28 0.362 5.605 6.430 1.00 0.00 C ATOM 429 C ILE A 28 -0.688 5.804 5.319 1.00 0.00 C ATOM 430 O ILE A 28 -0.772 5.007 4.402 1.00 0.00 O ATOM 431 CB ILE A 28 -0.201 4.831 7.652 1.00 0.00 C ATOM 432 CG1 ILE A 28 -0.393 3.340 7.303 1.00 0.00 C ATOM 433 CG2 ILE A 28 -1.525 5.440 8.135 1.00 0.00 C ATOM 434 CD1 ILE A 28 -1.518 3.140 6.274 1.00 0.00 C ATOM 0 H ILE A 28 0.580 7.154 7.910 1.00 0.00 H new ATOM 0 HA ILE A 28 1.171 5.033 5.976 1.00 0.00 H new ATOM 0 HB ILE A 28 0.523 4.913 8.463 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.539 2.935 6.908 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.624 2.780 8.209 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.894 4.876 8.992 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.363 6.478 8.426 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -2.259 5.399 7.330 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.624 2.078 6.053 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.455 3.521 6.680 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -1.274 3.679 5.358 1.00 0.00 H new ATOM 446 N LYS A 29 -1.467 6.863 5.364 1.00 0.00 N ATOM 447 CA LYS A 29 -2.462 7.090 4.263 1.00 0.00 C ATOM 448 C LYS A 29 -1.763 7.841 3.120 1.00 0.00 C ATOM 449 O LYS A 29 -2.006 7.570 1.959 1.00 0.00 O ATOM 450 CB LYS A 29 -3.602 7.928 4.859 1.00 0.00 C ATOM 451 CG LYS A 29 -4.888 7.675 4.068 1.00 0.00 C ATOM 452 CD LYS A 29 -5.484 6.327 4.479 1.00 0.00 C ATOM 453 CE LYS A 29 -6.262 6.490 5.786 1.00 0.00 C ATOM 454 NZ LYS A 29 -7.616 6.954 5.373 1.00 0.00 N ATOM 0 H LYS A 29 -1.458 7.568 6.101 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.859 6.156 3.864 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -3.750 7.668 5.907 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.345 8.987 4.827 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.606 8.474 4.255 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -4.677 7.680 2.999 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.143 5.955 3.695 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -4.691 5.590 4.605 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -6.317 5.549 6.333 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -5.781 7.213 6.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.043 7.508 6.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.535 7.547 4.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.217 6.131 5.165 1.00 0.00 H new ATOM 468 N TYR A 30 -0.871 8.765 3.435 1.00 0.00 N ATOM 469 CA TYR A 30 -0.143 9.494 2.343 1.00 0.00 C ATOM 470 C TYR A 30 0.907 8.570 1.702 1.00 0.00 C ATOM 471 O TYR A 30 1.196 8.694 0.527 1.00 0.00 O ATOM 472 CB TYR A 30 0.540 10.708 2.995 1.00 0.00 C ATOM 473 CG TYR A 30 -0.489 11.779 3.270 1.00 0.00 C ATOM 474 CD1 TYR A 30 -1.194 12.361 2.210 1.00 0.00 C ATOM 475 CD2 TYR A 30 -0.739 12.188 4.585 1.00 0.00 C ATOM 476 CE1 TYR A 30 -2.147 13.354 2.465 1.00 0.00 C ATOM 477 CE2 TYR A 30 -1.693 13.180 4.839 1.00 0.00 C ATOM 478 CZ TYR A 30 -2.397 13.763 3.780 1.00 0.00 C ATOM 479 OH TYR A 30 -3.337 14.741 4.032 1.00 0.00 O ATOM 0 H TYR A 30 -0.622 9.039 4.386 1.00 0.00 H new ATOM 0 HA TYR A 30 -0.829 9.811 1.558 1.00 0.00 H new ATOM 0 HB2 TYR A 30 1.026 10.409 3.924 1.00 0.00 H new ATOM 0 HB3 TYR A 30 1.318 11.097 2.338 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -1.003 12.044 1.195 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -0.196 11.738 5.403 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -2.689 13.805 1.647 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -1.886 13.496 5.854 1.00 0.00 H new ATOM 0 HH TYR A 30 -3.387 14.905 4.997 1.00 0.00 H new ATOM 489 N VAL A 31 1.480 7.637 2.450 1.00 0.00 N ATOM 490 CA VAL A 31 2.501 6.724 1.827 1.00 0.00 C ATOM 491 C VAL A 31 1.818 5.777 0.820 1.00 0.00 C ATOM 492 O VAL A 31 2.382 5.464 -0.211 1.00 0.00 O ATOM 493 CB VAL A 31 3.180 5.939 2.981 1.00 0.00 C ATOM 494 CG1 VAL A 31 2.212 4.921 3.588 1.00 0.00 C ATOM 495 CG2 VAL A 31 4.419 5.212 2.440 1.00 0.00 C ATOM 0 H VAL A 31 1.288 7.475 3.439 1.00 0.00 H new ATOM 0 HA VAL A 31 3.252 7.287 1.273 1.00 0.00 H new ATOM 0 HB VAL A 31 3.473 6.644 3.759 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.709 4.382 4.395 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.338 5.440 3.982 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.898 4.214 2.820 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.898 4.660 3.248 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.120 4.519 1.654 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.120 5.941 2.033 1.00 0.00 H new ATOM 505 N ALA A 32 0.606 5.329 1.099 1.00 0.00 N ATOM 506 CA ALA A 32 -0.086 4.412 0.120 1.00 0.00 C ATOM 507 C ALA A 32 -0.326 5.155 -1.202 1.00 0.00 C ATOM 508 O ALA A 32 -0.163 4.590 -2.267 1.00 0.00 O ATOM 509 CB ALA A 32 -1.426 4.009 0.757 1.00 0.00 C ATOM 0 H ALA A 32 0.077 5.552 1.942 1.00 0.00 H new ATOM 0 HA ALA A 32 0.519 3.531 -0.094 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -1.964 3.343 0.082 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -1.241 3.497 1.701 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -2.025 4.901 0.940 1.00 0.00 H new ATOM 515 N GLU A 33 -0.702 6.418 -1.148 1.00 0.00 N ATOM 516 CA GLU A 33 -0.937 7.180 -2.430 1.00 0.00 C ATOM 517 C GLU A 33 0.359 7.212 -3.248 1.00 0.00 C ATOM 518 O GLU A 33 0.361 6.911 -4.427 1.00 0.00 O ATOM 519 CB GLU A 33 -1.354 8.606 -2.035 1.00 0.00 C ATOM 520 CG GLU A 33 -2.691 8.560 -1.292 1.00 0.00 C ATOM 521 CD GLU A 33 -3.440 9.875 -1.508 1.00 0.00 C ATOM 522 OE1 GLU A 33 -2.808 10.916 -1.421 1.00 0.00 O ATOM 523 OE2 GLU A 33 -4.634 9.821 -1.758 1.00 0.00 O ATOM 0 H GLU A 33 -0.854 6.948 -0.290 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.711 6.710 -3.037 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.590 9.058 -1.402 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.441 9.230 -2.924 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.291 7.724 -1.652 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.522 8.396 -0.228 1.00 0.00 H new ATOM 530 N TYR A 34 1.469 7.551 -2.626 1.00 0.00 N ATOM 531 CA TYR A 34 2.772 7.569 -3.383 1.00 0.00 C ATOM 532 C TYR A 34 3.073 6.152 -3.899 1.00 0.00 C ATOM 533 O TYR A 34 3.539 5.979 -5.009 1.00 0.00 O ATOM 534 CB TYR A 34 3.857 8.031 -2.389 1.00 0.00 C ATOM 535 CG TYR A 34 5.240 8.026 -3.024 1.00 0.00 C ATOM 536 CD1 TYR A 34 5.412 8.237 -4.407 1.00 0.00 C ATOM 537 CD2 TYR A 34 6.363 7.824 -2.211 1.00 0.00 C ATOM 538 CE1 TYR A 34 6.699 8.241 -4.960 1.00 0.00 C ATOM 539 CE2 TYR A 34 7.646 7.832 -2.767 1.00 0.00 C ATOM 540 CZ TYR A 34 7.815 8.040 -4.140 1.00 0.00 C ATOM 541 OH TYR A 34 9.082 8.051 -4.685 1.00 0.00 O ATOM 0 H TYR A 34 1.532 7.813 -1.642 1.00 0.00 H new ATOM 0 HA TYR A 34 2.735 8.240 -4.241 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.623 9.035 -2.035 1.00 0.00 H new ATOM 0 HB3 TYR A 34 3.854 7.377 -1.517 1.00 0.00 H new ATOM 0 HD1 TYR A 34 4.552 8.396 -5.040 1.00 0.00 H new ATOM 0 HD2 TYR A 34 6.237 7.661 -1.151 1.00 0.00 H new ATOM 0 HE1 TYR A 34 6.830 8.399 -6.020 1.00 0.00 H new ATOM 0 HE2 TYR A 34 8.508 7.677 -2.135 1.00 0.00 H new ATOM 0 HH TYR A 34 9.742 7.881 -3.981 1.00 0.00 H new ATOM 551 N ILE A 35 2.788 5.135 -3.109 1.00 0.00 N ATOM 552 CA ILE A 35 3.040 3.726 -3.580 1.00 0.00 C ATOM 553 C ILE A 35 2.188 3.462 -4.834 1.00 0.00 C ATOM 554 O ILE A 35 2.693 3.004 -5.843 1.00 0.00 O ATOM 555 CB ILE A 35 2.635 2.804 -2.409 1.00 0.00 C ATOM 556 CG1 ILE A 35 3.619 3.019 -1.254 1.00 0.00 C ATOM 557 CG2 ILE A 35 2.660 1.329 -2.838 1.00 0.00 C ATOM 558 CD1 ILE A 35 2.992 2.531 0.052 1.00 0.00 C ATOM 0 H ILE A 35 2.397 5.217 -2.171 1.00 0.00 H new ATOM 0 HA ILE A 35 4.081 3.550 -3.851 1.00 0.00 H new ATOM 0 HB ILE A 35 1.620 3.050 -2.096 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.546 2.480 -1.448 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.876 4.075 -1.173 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.371 0.700 -1.996 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.961 1.177 -3.661 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.666 1.061 -3.162 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.693 2.685 0.872 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.077 3.090 0.247 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.758 1.470 -0.031 1.00 0.00 H new ATOM 570 N VAL A 36 0.908 3.775 -4.792 1.00 0.00 N ATOM 571 CA VAL A 36 0.051 3.563 -6.016 1.00 0.00 C ATOM 572 C VAL A 36 0.576 4.456 -7.148 1.00 0.00 C ATOM 573 O VAL A 36 0.670 4.030 -8.284 1.00 0.00 O ATOM 574 CB VAL A 36 -1.386 3.963 -5.638 1.00 0.00 C ATOM 575 CG1 VAL A 36 -2.308 3.780 -6.847 1.00 0.00 C ATOM 576 CG2 VAL A 36 -1.872 3.076 -4.490 1.00 0.00 C ATOM 0 H VAL A 36 0.425 4.161 -3.981 1.00 0.00 H new ATOM 0 HA VAL A 36 0.076 2.527 -6.353 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.401 5.008 -5.328 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.325 4.064 -6.576 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.962 4.409 -7.667 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.294 2.736 -7.160 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.890 3.356 -4.219 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.854 2.032 -4.804 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.218 3.206 -3.628 1.00 0.00 H new ATOM 586 N LEU A 37 0.944 5.690 -6.846 1.00 0.00 N ATOM 587 CA LEU A 37 1.490 6.591 -7.927 1.00 0.00 C ATOM 588 C LEU A 37 2.704 5.912 -8.579 1.00 0.00 C ATOM 589 O LEU A 37 2.838 5.906 -9.788 1.00 0.00 O ATOM 590 CB LEU A 37 1.917 7.902 -7.245 1.00 0.00 C ATOM 591 CG LEU A 37 1.924 9.033 -8.274 1.00 0.00 C ATOM 592 CD1 LEU A 37 0.571 9.745 -8.261 1.00 0.00 C ATOM 593 CD2 LEU A 37 3.029 10.033 -7.922 1.00 0.00 C ATOM 0 H LEU A 37 0.891 6.105 -5.916 1.00 0.00 H new ATOM 0 HA LEU A 37 0.747 6.787 -8.700 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.232 8.141 -6.431 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.908 7.790 -6.805 1.00 0.00 H new ATOM 0 HG LEU A 37 2.107 8.620 -9.266 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.577 10.551 -8.995 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.217 9.034 -8.510 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.387 10.158 -7.269 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.036 10.840 -8.654 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.845 10.445 -6.930 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.994 9.527 -7.931 1.00 0.00 H new ATOM 605 N LEU A 38 3.570 5.304 -7.787 1.00 0.00 N ATOM 606 CA LEU A 38 4.749 4.590 -8.392 1.00 0.00 C ATOM 607 C LEU A 38 4.219 3.418 -9.233 1.00 0.00 C ATOM 608 O LEU A 38 4.661 3.190 -10.343 1.00 0.00 O ATOM 609 CB LEU A 38 5.604 4.062 -7.228 1.00 0.00 C ATOM 610 CG LEU A 38 6.170 5.237 -6.428 1.00 0.00 C ATOM 611 CD1 LEU A 38 6.583 4.756 -5.034 1.00 0.00 C ATOM 612 CD2 LEU A 38 7.391 5.804 -7.155 1.00 0.00 C ATOM 0 H LEU A 38 3.512 5.272 -6.769 1.00 0.00 H new ATOM 0 HA LEU A 38 5.343 5.246 -9.028 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.001 3.426 -6.580 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.417 3.446 -7.612 1.00 0.00 H new ATOM 0 HG LEU A 38 5.410 6.012 -6.332 1.00 0.00 H new ATOM 0 HD11 LEU A 38 6.986 5.594 -4.465 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.714 4.351 -4.517 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.344 3.981 -5.127 1.00 0.00 H new ATOM 0 HD21 LEU A 38 7.796 6.641 -6.587 1.00 0.00 H new ATOM 0 HD22 LEU A 38 8.151 5.028 -7.250 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.097 6.147 -8.147 1.00 0.00 H new ATOM 624 N ILE A 39 3.250 2.687 -8.715 1.00 0.00 N ATOM 625 CA ILE A 39 2.662 1.538 -9.495 1.00 0.00 C ATOM 626 C ILE A 39 2.063 2.081 -10.803 1.00 0.00 C ATOM 627 O ILE A 39 2.267 1.520 -11.864 1.00 0.00 O ATOM 628 CB ILE A 39 1.561 0.931 -8.588 1.00 0.00 C ATOM 629 CG1 ILE A 39 2.216 0.250 -7.369 1.00 0.00 C ATOM 630 CG2 ILE A 39 0.697 -0.077 -9.363 1.00 0.00 C ATOM 631 CD1 ILE A 39 2.931 -1.044 -7.784 1.00 0.00 C ATOM 0 H ILE A 39 2.843 2.835 -7.792 1.00 0.00 H new ATOM 0 HA ILE A 39 3.403 0.783 -9.758 1.00 0.00 H new ATOM 0 HB ILE A 39 0.908 1.735 -8.248 1.00 0.00 H new ATOM 0 HG12 ILE A 39 2.929 0.932 -6.906 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.456 0.026 -6.620 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.066 -0.486 -8.701 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.218 0.425 -10.203 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.326 -0.886 -9.735 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.385 -1.506 -6.907 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.210 -1.733 -8.225 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.706 -0.813 -8.515 1.00 0.00 H new ATOM 643 N VAL A 40 1.341 3.177 -10.734 1.00 0.00 N ATOM 644 CA VAL A 40 0.749 3.761 -11.990 1.00 0.00 C ATOM 645 C VAL A 40 1.864 4.317 -12.896 1.00 0.00 C ATOM 646 O VAL A 40 1.705 4.378 -14.101 1.00 0.00 O ATOM 647 CB VAL A 40 -0.194 4.895 -11.551 1.00 0.00 C ATOM 648 CG1 VAL A 40 -0.879 5.501 -12.780 1.00 0.00 C ATOM 649 CG2 VAL A 40 -1.258 4.342 -10.594 1.00 0.00 C ATOM 0 H VAL A 40 1.136 3.689 -9.876 1.00 0.00 H new ATOM 0 HA VAL A 40 0.210 3.002 -12.557 1.00 0.00 H new ATOM 0 HB VAL A 40 0.385 5.665 -11.042 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.546 6.304 -12.466 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.124 5.901 -13.457 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.455 4.730 -13.293 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.924 5.148 -10.285 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.835 3.568 -11.100 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.772 3.917 -9.716 1.00 0.00 H new ATOM 659 N ASN A 41 2.989 4.730 -12.338 1.00 0.00 N ATOM 660 CA ASN A 41 4.091 5.283 -13.202 1.00 0.00 C ATOM 661 C ASN A 41 4.808 4.161 -13.968 1.00 0.00 C ATOM 662 O ASN A 41 5.251 4.371 -15.083 1.00 0.00 O ATOM 663 CB ASN A 41 5.075 5.997 -12.261 1.00 0.00 C ATOM 664 CG ASN A 41 4.586 7.427 -11.999 1.00 0.00 C ATOM 665 OD1 ASN A 41 4.121 8.092 -12.904 1.00 0.00 O ATOM 666 ND2 ASN A 41 4.668 7.937 -10.794 1.00 0.00 N ATOM 0 H ASN A 41 3.188 4.708 -11.338 1.00 0.00 H new ATOM 0 HA ASN A 41 3.685 5.969 -13.946 1.00 0.00 H new ATOM 0 HB2 ASN A 41 5.157 5.451 -11.321 1.00 0.00 H new ATOM 0 HB3 ASN A 41 6.070 6.017 -12.705 1.00 0.00 H new ATOM 0 HD21 ASN A 41 4.342 8.888 -10.619 1.00 0.00 H new ATOM 0 HD22 ASN A 41 5.057 7.383 -10.031 1.00 0.00 H new ATOM 673 N GLY A 42 4.940 2.979 -13.397 1.00 0.00 N ATOM 674 CA GLY A 42 5.647 1.884 -14.140 1.00 0.00 C ATOM 675 C GLY A 42 5.277 0.512 -13.561 1.00 0.00 C ATOM 676 O GLY A 42 4.800 -0.353 -14.271 1.00 0.00 O ATOM 0 H GLY A 42 4.596 2.732 -12.469 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.380 1.923 -15.196 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.725 2.032 -14.078 1.00 0.00 H new ATOM 680 N GLY A 43 5.498 0.302 -12.283 1.00 0.00 N ATOM 681 CA GLY A 43 5.163 -1.015 -11.675 1.00 0.00 C ATOM 682 C GLY A 43 6.434 -1.871 -11.579 1.00 0.00 C ATOM 683 O GLY A 43 6.435 -3.029 -11.953 1.00 0.00 O ATOM 0 H GLY A 43 5.895 0.988 -11.641 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.732 -0.871 -10.684 1.00 0.00 H new ATOM 0 HA3 GLY A 43 4.412 -1.526 -12.278 1.00 0.00 H new ATOM 687 N THR A 44 7.512 -1.318 -11.067 1.00 0.00 N ATOM 688 CA THR A 44 8.771 -2.104 -10.930 1.00 0.00 C ATOM 689 C THR A 44 9.174 -2.132 -9.448 1.00 0.00 C ATOM 690 O THR A 44 9.391 -1.097 -8.849 1.00 0.00 O ATOM 691 CB THR A 44 9.797 -1.352 -11.777 1.00 0.00 C ATOM 692 OG1 THR A 44 9.592 0.049 -11.631 1.00 0.00 O ATOM 693 CG2 THR A 44 9.627 -1.748 -13.247 1.00 0.00 C ATOM 0 H THR A 44 7.568 -0.354 -10.739 1.00 0.00 H new ATOM 0 HA THR A 44 8.679 -3.139 -11.259 1.00 0.00 H new ATOM 0 HB THR A 44 10.804 -1.606 -11.448 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.909 0.511 -12.435 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.357 -1.214 -13.855 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.781 -2.822 -13.355 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.621 -1.491 -13.579 1.00 0.00 H new ATOM 701 N VAL A 45 9.250 -3.300 -8.839 1.00 0.00 N ATOM 702 CA VAL A 45 9.610 -3.354 -7.371 1.00 0.00 C ATOM 703 C VAL A 45 10.928 -2.604 -7.101 1.00 0.00 C ATOM 704 O VAL A 45 11.059 -1.935 -6.095 1.00 0.00 O ATOM 705 CB VAL A 45 9.745 -4.843 -6.986 1.00 0.00 C ATOM 706 CG1 VAL A 45 10.157 -4.964 -5.511 1.00 0.00 C ATOM 707 CG2 VAL A 45 8.400 -5.554 -7.187 1.00 0.00 C ATOM 0 H VAL A 45 9.082 -4.203 -9.282 1.00 0.00 H new ATOM 0 HA VAL A 45 8.838 -2.870 -6.773 1.00 0.00 H new ATOM 0 HB VAL A 45 10.504 -5.304 -7.618 1.00 0.00 H new ATOM 0 HG11 VAL A 45 10.251 -6.017 -5.245 1.00 0.00 H new ATOM 0 HG12 VAL A 45 11.114 -4.464 -5.358 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.399 -4.497 -4.882 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.499 -6.605 -6.914 1.00 0.00 H new ATOM 0 HG22 VAL A 45 7.643 -5.086 -6.558 1.00 0.00 H new ATOM 0 HG23 VAL A 45 8.101 -5.477 -8.232 1.00 0.00 H new ATOM 717 N GLU A 46 11.900 -2.709 -7.978 1.00 0.00 N ATOM 718 CA GLU A 46 13.197 -1.985 -7.724 1.00 0.00 C ATOM 719 C GLU A 46 12.955 -0.473 -7.730 1.00 0.00 C ATOM 720 O GLU A 46 13.331 0.216 -6.800 1.00 0.00 O ATOM 721 CB GLU A 46 14.163 -2.381 -8.852 1.00 0.00 C ATOM 722 CG GLU A 46 15.605 -2.220 -8.369 1.00 0.00 C ATOM 723 CD GLU A 46 16.002 -3.435 -7.529 1.00 0.00 C ATOM 724 OE1 GLU A 46 15.188 -3.872 -6.732 1.00 0.00 O ATOM 725 OE2 GLU A 46 17.114 -3.910 -7.697 1.00 0.00 O ATOM 0 H GLU A 46 11.859 -3.251 -8.841 1.00 0.00 H new ATOM 0 HA GLU A 46 13.615 -2.252 -6.753 1.00 0.00 H new ATOM 0 HB2 GLU A 46 13.983 -3.413 -9.154 1.00 0.00 H new ATOM 0 HB3 GLU A 46 13.990 -1.757 -9.729 1.00 0.00 H new ATOM 0 HG2 GLU A 46 16.276 -2.120 -9.222 1.00 0.00 H new ATOM 0 HG3 GLU A 46 15.702 -1.309 -7.778 1.00 0.00 H new ATOM 732 N SER A 47 12.316 0.052 -8.754 1.00 0.00 N ATOM 733 CA SER A 47 12.048 1.533 -8.770 1.00 0.00 C ATOM 734 C SER A 47 10.995 1.874 -7.705 1.00 0.00 C ATOM 735 O SER A 47 11.075 2.907 -7.068 1.00 0.00 O ATOM 736 CB SER A 47 11.528 1.883 -10.170 1.00 0.00 C ATOM 737 OG SER A 47 12.222 1.105 -11.137 1.00 0.00 O ATOM 0 H SER A 47 11.975 -0.467 -9.563 1.00 0.00 H new ATOM 0 HA SER A 47 12.951 2.102 -8.547 1.00 0.00 H new ATOM 0 HB2 SER A 47 10.457 1.690 -10.232 1.00 0.00 H new ATOM 0 HB3 SER A 47 11.672 2.945 -10.369 1.00 0.00 H new ATOM 0 HG SER A 47 11.621 0.420 -11.498 1.00 0.00 H new ATOM 743 N VAL A 48 10.015 1.016 -7.495 1.00 0.00 N ATOM 744 CA VAL A 48 8.976 1.316 -6.449 1.00 0.00 C ATOM 745 C VAL A 48 9.587 1.192 -5.045 1.00 0.00 C ATOM 746 O VAL A 48 9.255 1.959 -4.161 1.00 0.00 O ATOM 747 CB VAL A 48 7.832 0.300 -6.638 1.00 0.00 C ATOM 748 CG1 VAL A 48 6.719 0.587 -5.626 1.00 0.00 C ATOM 749 CG2 VAL A 48 7.261 0.422 -8.056 1.00 0.00 C ATOM 0 H VAL A 48 9.891 0.135 -7.994 1.00 0.00 H new ATOM 0 HA VAL A 48 8.601 2.334 -6.553 1.00 0.00 H new ATOM 0 HB VAL A 48 8.220 -0.707 -6.484 1.00 0.00 H new ATOM 0 HG11 VAL A 48 5.911 -0.132 -5.760 1.00 0.00 H new ATOM 0 HG12 VAL A 48 7.116 0.502 -4.614 1.00 0.00 H new ATOM 0 HG13 VAL A 48 6.337 1.596 -5.782 1.00 0.00 H new ATOM 0 HG21 VAL A 48 6.453 -0.298 -8.186 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.877 1.431 -8.208 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.047 0.220 -8.783 1.00 0.00 H new ATOM 759 N VAL A 49 10.494 0.256 -4.828 1.00 0.00 N ATOM 760 CA VAL A 49 11.120 0.144 -3.464 1.00 0.00 C ATOM 761 C VAL A 49 12.184 1.245 -3.308 1.00 0.00 C ATOM 762 O VAL A 49 12.327 1.821 -2.245 1.00 0.00 O ATOM 763 CB VAL A 49 11.746 -1.262 -3.372 1.00 0.00 C ATOM 764 CG1 VAL A 49 12.513 -1.411 -2.051 1.00 0.00 C ATOM 765 CG2 VAL A 49 10.635 -2.315 -3.428 1.00 0.00 C ATOM 0 H VAL A 49 10.820 -0.419 -5.520 1.00 0.00 H new ATOM 0 HA VAL A 49 10.390 0.275 -2.665 1.00 0.00 H new ATOM 0 HB VAL A 49 12.435 -1.401 -4.205 1.00 0.00 H new ATOM 0 HG11 VAL A 49 12.952 -2.407 -1.995 1.00 0.00 H new ATOM 0 HG12 VAL A 49 13.304 -0.663 -2.003 1.00 0.00 H new ATOM 0 HG13 VAL A 49 11.828 -1.269 -1.215 1.00 0.00 H new ATOM 0 HG21 VAL A 49 11.074 -3.311 -3.363 1.00 0.00 H new ATOM 0 HG22 VAL A 49 9.950 -2.166 -2.594 1.00 0.00 H new ATOM 0 HG23 VAL A 49 10.090 -2.219 -4.367 1.00 0.00 H new ATOM 775 N ASP A 50 12.916 1.557 -4.359 1.00 0.00 N ATOM 776 CA ASP A 50 13.950 2.645 -4.246 1.00 0.00 C ATOM 777 C ASP A 50 13.264 4.013 -4.102 1.00 0.00 C ATOM 778 O ASP A 50 13.765 4.882 -3.413 1.00 0.00 O ATOM 779 CB ASP A 50 14.788 2.600 -5.534 1.00 0.00 C ATOM 780 CG ASP A 50 16.050 3.446 -5.350 1.00 0.00 C ATOM 781 OD1 ASP A 50 16.827 3.131 -4.464 1.00 0.00 O ATOM 782 OD2 ASP A 50 16.217 4.394 -6.099 1.00 0.00 O ATOM 0 H ASP A 50 12.845 1.114 -5.275 1.00 0.00 H new ATOM 0 HA ASP A 50 14.580 2.497 -3.369 1.00 0.00 H new ATOM 0 HB2 ASP A 50 15.058 1.571 -5.769 1.00 0.00 H new ATOM 0 HB3 ASP A 50 14.204 2.976 -6.374 1.00 0.00 H new ATOM 787 N GLU A 51 12.119 4.218 -4.732 1.00 0.00 N ATOM 788 CA GLU A 51 11.430 5.552 -4.588 1.00 0.00 C ATOM 789 C GLU A 51 10.834 5.677 -3.180 1.00 0.00 C ATOM 790 O GLU A 51 10.891 6.732 -2.575 1.00 0.00 O ATOM 791 CB GLU A 51 10.314 5.619 -5.652 1.00 0.00 C ATOM 792 CG GLU A 51 10.752 6.538 -6.797 1.00 0.00 C ATOM 793 CD GLU A 51 10.222 5.994 -8.126 1.00 0.00 C ATOM 794 OE1 GLU A 51 10.608 4.897 -8.491 1.00 0.00 O ATOM 795 OE2 GLU A 51 9.439 6.687 -8.756 1.00 0.00 O ATOM 0 H GLU A 51 11.643 3.538 -5.325 1.00 0.00 H new ATOM 0 HA GLU A 51 12.136 6.370 -4.731 1.00 0.00 H new ATOM 0 HB2 GLU A 51 10.101 4.621 -6.034 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.393 5.992 -5.205 1.00 0.00 H new ATOM 0 HG2 GLU A 51 10.376 7.547 -6.630 1.00 0.00 H new ATOM 0 HG3 GLU A 51 11.840 6.604 -6.828 1.00 0.00 H new ATOM 802 N LEU A 52 10.278 4.612 -2.641 1.00 0.00 N ATOM 803 CA LEU A 52 9.706 4.700 -1.252 1.00 0.00 C ATOM 804 C LEU A 52 10.850 4.827 -0.237 1.00 0.00 C ATOM 805 O LEU A 52 10.751 5.573 0.720 1.00 0.00 O ATOM 806 CB LEU A 52 8.911 3.408 -1.009 1.00 0.00 C ATOM 807 CG LEU A 52 7.664 3.403 -1.895 1.00 0.00 C ATOM 808 CD1 LEU A 52 7.011 2.021 -1.849 1.00 0.00 C ATOM 809 CD2 LEU A 52 6.673 4.453 -1.387 1.00 0.00 C ATOM 0 H LEU A 52 10.196 3.701 -3.093 1.00 0.00 H new ATOM 0 HA LEU A 52 9.058 5.570 -1.142 1.00 0.00 H new ATOM 0 HB2 LEU A 52 9.531 2.539 -1.231 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.625 3.336 0.040 1.00 0.00 H new ATOM 0 HG LEU A 52 7.947 3.637 -2.921 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.122 2.017 -2.480 1.00 0.00 H new ATOM 0 HD12 LEU A 52 7.716 1.273 -2.211 1.00 0.00 H new ATOM 0 HD13 LEU A 52 6.728 1.786 -0.823 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.784 4.450 -2.018 1.00 0.00 H new ATOM 0 HD22 LEU A 52 6.390 4.220 -0.361 1.00 0.00 H new ATOM 0 HD23 LEU A 52 7.138 5.438 -1.420 1.00 0.00 H new ATOM 821 N ALA A 53 11.945 4.120 -0.443 1.00 0.00 N ATOM 822 CA ALA A 53 13.094 4.235 0.524 1.00 0.00 C ATOM 823 C ALA A 53 13.655 5.665 0.485 1.00 0.00 C ATOM 824 O ALA A 53 13.994 6.227 1.509 1.00 0.00 O ATOM 825 CB ALA A 53 14.165 3.229 0.070 1.00 0.00 C ATOM 0 H ALA A 53 12.091 3.480 -1.224 1.00 0.00 H new ATOM 0 HA ALA A 53 12.777 4.023 1.545 1.00 0.00 H new ATOM 0 HB1 ALA A 53 15.020 3.278 0.745 1.00 0.00 H new ATOM 0 HB2 ALA A 53 13.748 2.222 0.085 1.00 0.00 H new ATOM 0 HB3 ALA A 53 14.488 3.473 -0.942 1.00 0.00 H new ATOM 831 N SER A 54 13.748 6.265 -0.687 1.00 0.00 N ATOM 832 CA SER A 54 14.284 7.675 -0.765 1.00 0.00 C ATOM 833 C SER A 54 13.427 8.618 0.099 1.00 0.00 C ATOM 834 O SER A 54 13.940 9.541 0.704 1.00 0.00 O ATOM 835 CB SER A 54 14.211 8.097 -2.240 1.00 0.00 C ATOM 836 OG SER A 54 15.007 9.260 -2.434 1.00 0.00 O ATOM 0 H SER A 54 13.481 5.849 -1.579 1.00 0.00 H new ATOM 0 HA SER A 54 15.308 7.724 -0.394 1.00 0.00 H new ATOM 0 HB2 SER A 54 14.565 7.289 -2.880 1.00 0.00 H new ATOM 0 HB3 SER A 54 13.178 8.298 -2.522 1.00 0.00 H new ATOM 0 HG SER A 54 14.965 9.532 -3.374 1.00 0.00 H new ATOM 842 N LEU A 55 12.131 8.391 0.174 1.00 0.00 N ATOM 843 CA LEU A 55 11.261 9.280 1.017 1.00 0.00 C ATOM 844 C LEU A 55 11.154 8.699 2.436 1.00 0.00 C ATOM 845 O LEU A 55 11.191 9.425 3.411 1.00 0.00 O ATOM 846 CB LEU A 55 9.883 9.306 0.335 1.00 0.00 C ATOM 847 CG LEU A 55 9.419 10.754 0.155 1.00 0.00 C ATOM 848 CD1 LEU A 55 8.607 10.873 -1.137 1.00 0.00 C ATOM 849 CD2 LEU A 55 8.548 11.161 1.345 1.00 0.00 C ATOM 0 H LEU A 55 11.643 7.636 -0.308 1.00 0.00 H new ATOM 0 HA LEU A 55 11.670 10.287 1.103 1.00 0.00 H new ATOM 0 HB2 LEU A 55 9.937 8.809 -0.634 1.00 0.00 H new ATOM 0 HB3 LEU A 55 9.160 8.755 0.936 1.00 0.00 H new ATOM 0 HG LEU A 55 10.288 11.410 0.099 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.277 11.904 -1.265 1.00 0.00 H new ATOM 0 HD12 LEU A 55 9.228 10.583 -1.985 1.00 0.00 H new ATOM 0 HD13 LEU A 55 7.738 10.217 -1.082 1.00 0.00 H new ATOM 0 HD21 LEU A 55 8.217 12.192 1.218 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.679 10.505 1.401 1.00 0.00 H new ATOM 0 HD23 LEU A 55 9.126 11.076 2.265 1.00 0.00 H new ATOM 861 N PHE A 56 11.032 7.394 2.559 1.00 0.00 N ATOM 862 CA PHE A 56 10.938 6.773 3.916 1.00 0.00 C ATOM 863 C PHE A 56 12.248 6.037 4.234 1.00 0.00 C ATOM 864 O PHE A 56 12.298 4.822 4.236 1.00 0.00 O ATOM 865 CB PHE A 56 9.757 5.799 3.840 1.00 0.00 C ATOM 866 CG PHE A 56 8.494 6.576 3.550 1.00 0.00 C ATOM 867 CD1 PHE A 56 8.005 7.491 4.490 1.00 0.00 C ATOM 868 CD2 PHE A 56 7.819 6.392 2.336 1.00 0.00 C ATOM 869 CE1 PHE A 56 6.839 8.217 4.218 1.00 0.00 C ATOM 870 CE2 PHE A 56 6.658 7.120 2.065 1.00 0.00 C ATOM 871 CZ PHE A 56 6.167 8.032 3.005 1.00 0.00 C ATOM 0 H PHE A 56 10.994 6.738 1.779 1.00 0.00 H new ATOM 0 HA PHE A 56 10.785 7.509 4.705 1.00 0.00 H new ATOM 0 HB2 PHE A 56 9.930 5.058 3.060 1.00 0.00 H new ATOM 0 HB3 PHE A 56 9.657 5.255 4.779 1.00 0.00 H new ATOM 0 HD1 PHE A 56 8.527 7.637 5.424 1.00 0.00 H new ATOM 0 HD2 PHE A 56 8.196 5.687 1.610 1.00 0.00 H new ATOM 0 HE1 PHE A 56 6.458 8.920 4.945 1.00 0.00 H new ATOM 0 HE2 PHE A 56 6.139 6.978 1.129 1.00 0.00 H new ATOM 0 HZ PHE A 56 5.269 8.594 2.794 1.00 0.00 H new ATOM 881 N ASP A 57 13.314 6.769 4.501 1.00 0.00 N ATOM 882 CA ASP A 57 14.628 6.095 4.816 1.00 0.00 C ATOM 883 C ASP A 57 14.661 5.510 6.250 1.00 0.00 C ATOM 884 O ASP A 57 15.612 4.837 6.604 1.00 0.00 O ATOM 885 CB ASP A 57 15.725 7.167 4.648 1.00 0.00 C ATOM 886 CG ASP A 57 15.548 8.279 5.689 1.00 0.00 C ATOM 887 OD1 ASP A 57 14.478 8.863 5.727 1.00 0.00 O ATOM 888 OD2 ASP A 57 16.487 8.527 6.428 1.00 0.00 O ATOM 0 H ASP A 57 13.333 7.789 4.515 1.00 0.00 H new ATOM 0 HA ASP A 57 14.781 5.251 4.144 1.00 0.00 H new ATOM 0 HB2 ASP A 57 16.709 6.710 4.758 1.00 0.00 H new ATOM 0 HB3 ASP A 57 15.680 7.589 3.644 1.00 0.00 H new ATOM 893 N SER A 58 13.651 5.734 7.077 1.00 0.00 N ATOM 894 CA SER A 58 13.687 5.150 8.462 1.00 0.00 C ATOM 895 C SER A 58 12.853 3.854 8.541 1.00 0.00 C ATOM 896 O SER A 58 12.403 3.478 9.607 1.00 0.00 O ATOM 897 CB SER A 58 13.095 6.222 9.384 1.00 0.00 C ATOM 898 OG SER A 58 13.686 7.480 9.082 1.00 0.00 O ATOM 0 H SER A 58 12.822 6.285 6.855 1.00 0.00 H new ATOM 0 HA SER A 58 14.704 4.885 8.749 1.00 0.00 H new ATOM 0 HB2 SER A 58 12.014 6.274 9.253 1.00 0.00 H new ATOM 0 HB3 SER A 58 13.278 5.962 10.427 1.00 0.00 H new ATOM 0 HG SER A 58 13.308 8.168 9.669 1.00 0.00 H new ATOM 904 N VAL A 59 12.650 3.156 7.435 1.00 0.00 N ATOM 905 CA VAL A 59 11.859 1.890 7.482 1.00 0.00 C ATOM 906 C VAL A 59 12.690 0.740 6.888 1.00 0.00 C ATOM 907 O VAL A 59 13.424 0.934 5.936 1.00 0.00 O ATOM 908 CB VAL A 59 10.618 2.161 6.625 1.00 0.00 C ATOM 909 CG1 VAL A 59 9.746 0.902 6.559 1.00 0.00 C ATOM 910 CG2 VAL A 59 9.812 3.303 7.247 1.00 0.00 C ATOM 0 H VAL A 59 13.000 3.414 6.512 1.00 0.00 H new ATOM 0 HA VAL A 59 11.589 1.602 8.498 1.00 0.00 H new ATOM 0 HB VAL A 59 10.930 2.436 5.617 1.00 0.00 H new ATOM 0 HG11 VAL A 59 8.865 1.101 5.948 1.00 0.00 H new ATOM 0 HG12 VAL A 59 10.318 0.086 6.116 1.00 0.00 H new ATOM 0 HG13 VAL A 59 9.434 0.622 7.565 1.00 0.00 H new ATOM 0 HG21 VAL A 59 8.928 3.498 6.639 1.00 0.00 H new ATOM 0 HG22 VAL A 59 9.505 3.025 8.255 1.00 0.00 H new ATOM 0 HG23 VAL A 59 10.428 4.201 7.291 1.00 0.00 H new ATOM 920 N SER A 60 12.582 -0.454 7.435 1.00 0.00 N ATOM 921 CA SER A 60 13.381 -1.601 6.873 1.00 0.00 C ATOM 922 C SER A 60 12.971 -1.854 5.414 1.00 0.00 C ATOM 923 O SER A 60 11.801 -1.818 5.083 1.00 0.00 O ATOM 924 CB SER A 60 13.058 -2.833 7.733 1.00 0.00 C ATOM 925 OG SER A 60 13.891 -2.831 8.885 1.00 0.00 O ATOM 0 H SER A 60 11.987 -0.683 8.231 1.00 0.00 H new ATOM 0 HA SER A 60 14.449 -1.384 6.891 1.00 0.00 H new ATOM 0 HB2 SER A 60 12.009 -2.820 8.028 1.00 0.00 H new ATOM 0 HB3 SER A 60 13.216 -3.745 7.157 1.00 0.00 H new ATOM 0 HG SER A 60 13.687 -3.614 9.437 1.00 0.00 H new ATOM 931 N ARG A 61 13.922 -2.113 4.534 1.00 0.00 N ATOM 932 CA ARG A 61 13.564 -2.370 3.087 1.00 0.00 C ATOM 933 C ARG A 61 12.484 -3.462 2.981 1.00 0.00 C ATOM 934 O ARG A 61 11.642 -3.416 2.103 1.00 0.00 O ATOM 935 CB ARG A 61 14.852 -2.840 2.392 1.00 0.00 C ATOM 936 CG ARG A 61 15.864 -1.690 2.356 1.00 0.00 C ATOM 937 CD ARG A 61 16.639 -1.727 1.036 1.00 0.00 C ATOM 938 NE ARG A 61 17.748 -0.750 1.214 1.00 0.00 N ATOM 939 CZ ARG A 61 17.684 0.421 0.642 1.00 0.00 C ATOM 940 NH1 ARG A 61 17.384 0.514 -0.624 1.00 0.00 N ATOM 941 NH2 ARG A 61 17.922 1.500 1.336 1.00 0.00 N ATOM 0 H ARG A 61 14.918 -2.158 4.749 1.00 0.00 H new ATOM 0 HA ARG A 61 13.166 -1.468 2.622 1.00 0.00 H new ATOM 0 HB2 ARG A 61 15.274 -3.693 2.924 1.00 0.00 H new ATOM 0 HB3 ARG A 61 14.630 -3.174 1.379 1.00 0.00 H new ATOM 0 HG2 ARG A 61 15.348 -0.735 2.460 1.00 0.00 H new ATOM 0 HG3 ARG A 61 16.553 -1.773 3.196 1.00 0.00 H new ATOM 0 HD2 ARG A 61 17.022 -2.727 0.831 1.00 0.00 H new ATOM 0 HD3 ARG A 61 16.001 -1.452 0.196 1.00 0.00 H new ATOM 0 HE ARG A 61 18.558 -0.996 1.783 1.00 0.00 H new ATOM 0 HH11 ARG A 61 17.199 -0.329 -1.168 1.00 0.00 H new ATOM 0 HH12 ARG A 61 17.334 1.430 -1.070 1.00 0.00 H new ATOM 0 HH21 ARG A 61 18.158 1.428 2.326 1.00 0.00 H new ATOM 0 HH22 ARG A 61 17.872 2.415 0.889 1.00 0.00 H new ATOM 955 N ASP A 62 12.498 -4.439 3.864 1.00 0.00 N ATOM 956 CA ASP A 62 11.454 -5.524 3.790 1.00 0.00 C ATOM 957 C ASP A 62 10.054 -4.952 4.073 1.00 0.00 C ATOM 958 O ASP A 62 9.080 -5.401 3.498 1.00 0.00 O ATOM 959 CB ASP A 62 11.823 -6.571 4.853 1.00 0.00 C ATOM 960 CG ASP A 62 11.231 -7.926 4.463 1.00 0.00 C ATOM 961 OD1 ASP A 62 11.484 -8.362 3.352 1.00 0.00 O ATOM 962 OD2 ASP A 62 10.535 -8.504 5.282 1.00 0.00 O ATOM 0 H ASP A 62 13.174 -4.534 4.622 1.00 0.00 H new ATOM 0 HA ASP A 62 11.430 -5.966 2.794 1.00 0.00 H new ATOM 0 HB2 ASP A 62 12.907 -6.648 4.942 1.00 0.00 H new ATOM 0 HB3 ASP A 62 11.444 -6.264 5.828 1.00 0.00 H new ATOM 967 N THR A 63 9.937 -3.968 4.943 1.00 0.00 N ATOM 968 CA THR A 63 8.575 -3.393 5.228 1.00 0.00 C ATOM 969 C THR A 63 8.075 -2.618 4.002 1.00 0.00 C ATOM 970 O THR A 63 6.917 -2.714 3.638 1.00 0.00 O ATOM 971 CB THR A 63 8.731 -2.454 6.438 1.00 0.00 C ATOM 972 OG1 THR A 63 9.188 -3.200 7.556 1.00 0.00 O ATOM 973 CG2 THR A 63 7.385 -1.806 6.772 1.00 0.00 C ATOM 0 H THR A 63 10.709 -3.545 5.459 1.00 0.00 H new ATOM 0 HA THR A 63 7.849 -4.176 5.444 1.00 0.00 H new ATOM 0 HB THR A 63 9.453 -1.674 6.197 1.00 0.00 H new ATOM 0 HG1 THR A 63 9.290 -2.604 8.327 1.00 0.00 H new ATOM 0 HG21 THR A 63 7.503 -1.143 7.629 1.00 0.00 H new ATOM 0 HG22 THR A 63 7.035 -1.232 5.914 1.00 0.00 H new ATOM 0 HG23 THR A 63 6.657 -2.581 7.011 1.00 0.00 H new ATOM 981 N LEU A 64 8.935 -1.862 3.354 1.00 0.00 N ATOM 982 CA LEU A 64 8.480 -1.101 2.140 1.00 0.00 C ATOM 983 C LEU A 64 8.186 -2.087 1.003 1.00 0.00 C ATOM 984 O LEU A 64 7.200 -1.952 0.303 1.00 0.00 O ATOM 985 CB LEU A 64 9.624 -0.148 1.748 1.00 0.00 C ATOM 986 CG LEU A 64 9.949 0.794 2.924 1.00 0.00 C ATOM 987 CD1 LEU A 64 11.336 0.466 3.485 1.00 0.00 C ATOM 988 CD2 LEU A 64 9.933 2.249 2.442 1.00 0.00 C ATOM 0 H LEU A 64 9.916 -1.740 3.607 1.00 0.00 H new ATOM 0 HA LEU A 64 7.570 -0.536 2.341 1.00 0.00 H new ATOM 0 HB2 LEU A 64 10.510 -0.722 1.475 1.00 0.00 H new ATOM 0 HB3 LEU A 64 9.339 0.435 0.872 1.00 0.00 H new ATOM 0 HG LEU A 64 9.199 0.658 3.703 1.00 0.00 H new ATOM 0 HD11 LEU A 64 11.560 1.135 4.316 1.00 0.00 H new ATOM 0 HD12 LEU A 64 11.352 -0.566 3.836 1.00 0.00 H new ATOM 0 HD13 LEU A 64 12.085 0.595 2.703 1.00 0.00 H new ATOM 0 HD21 LEU A 64 10.163 2.911 3.277 1.00 0.00 H new ATOM 0 HD22 LEU A 64 10.679 2.381 1.658 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.946 2.491 2.048 1.00 0.00 H new ATOM 1000 N ALA A 65 9.019 -3.092 0.825 1.00 0.00 N ATOM 1001 CA ALA A 65 8.751 -4.095 -0.267 1.00 0.00 C ATOM 1002 C ALA A 65 7.425 -4.824 0.008 1.00 0.00 C ATOM 1003 O ALA A 65 6.702 -5.160 -0.911 1.00 0.00 O ATOM 1004 CB ALA A 65 9.920 -5.092 -0.255 1.00 0.00 C ATOM 0 H ALA A 65 9.859 -3.261 1.378 1.00 0.00 H new ATOM 0 HA ALA A 65 8.669 -3.608 -1.239 1.00 0.00 H new ATOM 0 HB1 ALA A 65 9.768 -5.840 -1.033 1.00 0.00 H new ATOM 0 HB2 ALA A 65 10.853 -4.560 -0.440 1.00 0.00 H new ATOM 0 HB3 ALA A 65 9.969 -5.584 0.717 1.00 0.00 H new ATOM 1010 N ASN A 66 7.093 -5.073 1.263 1.00 0.00 N ATOM 1011 CA ASN A 66 5.798 -5.784 1.564 1.00 0.00 C ATOM 1012 C ASN A 66 4.615 -4.963 1.033 1.00 0.00 C ATOM 1013 O ASN A 66 3.708 -5.506 0.429 1.00 0.00 O ATOM 1014 CB ASN A 66 5.707 -5.921 3.092 1.00 0.00 C ATOM 1015 CG ASN A 66 6.506 -7.149 3.545 1.00 0.00 C ATOM 1016 OD1 ASN A 66 6.616 -8.113 2.814 1.00 0.00 O ATOM 1017 ND2 ASN A 66 7.073 -7.161 4.727 1.00 0.00 N ATOM 0 H ASN A 66 7.652 -4.819 2.078 1.00 0.00 H new ATOM 0 HA ASN A 66 5.767 -6.763 1.085 1.00 0.00 H new ATOM 0 HB2 ASN A 66 6.097 -5.023 3.572 1.00 0.00 H new ATOM 0 HB3 ASN A 66 4.665 -6.019 3.397 1.00 0.00 H new ATOM 0 HD21 ASN A 66 7.604 -7.978 5.030 1.00 0.00 H new ATOM 0 HD22 ASN A 66 6.983 -6.354 5.344 1.00 0.00 H new ATOM 1024 N VAL A 67 4.615 -3.658 1.237 1.00 0.00 N ATOM 1025 CA VAL A 67 3.471 -2.832 0.709 1.00 0.00 C ATOM 1026 C VAL A 67 3.564 -2.754 -0.827 1.00 0.00 C ATOM 1027 O VAL A 67 2.561 -2.809 -1.513 1.00 0.00 O ATOM 1028 CB VAL A 67 3.592 -1.437 1.341 1.00 0.00 C ATOM 1029 CG1 VAL A 67 2.437 -0.557 0.860 1.00 0.00 C ATOM 1030 CG2 VAL A 67 3.528 -1.564 2.868 1.00 0.00 C ATOM 0 H VAL A 67 5.340 -3.140 1.734 1.00 0.00 H new ATOM 0 HA VAL A 67 2.506 -3.273 0.961 1.00 0.00 H new ATOM 0 HB VAL A 67 4.541 -0.987 1.049 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.523 0.433 1.308 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.475 -0.468 -0.226 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.489 -1.008 1.154 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.614 -0.575 3.319 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.578 -2.013 3.156 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.347 -2.194 3.215 1.00 0.00 H new ATOM 1040 N VAL A 68 4.759 -2.657 -1.376 1.00 0.00 N ATOM 1041 CA VAL A 68 4.887 -2.620 -2.878 1.00 0.00 C ATOM 1042 C VAL A 68 4.473 -3.990 -3.451 1.00 0.00 C ATOM 1043 O VAL A 68 3.881 -4.062 -4.512 1.00 0.00 O ATOM 1044 CB VAL A 68 6.369 -2.322 -3.182 1.00 0.00 C ATOM 1045 CG1 VAL A 68 6.617 -2.369 -4.692 1.00 0.00 C ATOM 1046 CG2 VAL A 68 6.722 -0.926 -2.660 1.00 0.00 C ATOM 0 H VAL A 68 5.637 -2.603 -0.860 1.00 0.00 H new ATOM 0 HA VAL A 68 4.247 -1.861 -3.328 1.00 0.00 H new ATOM 0 HB VAL A 68 6.990 -3.072 -2.693 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.667 -2.157 -4.895 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.367 -3.360 -5.071 1.00 0.00 H new ATOM 0 HG13 VAL A 68 5.994 -1.624 -5.186 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.769 -0.712 -2.873 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.093 -0.184 -3.151 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.556 -0.887 -1.583 1.00 0.00 H new ATOM 1056 N GLN A 69 4.769 -5.080 -2.759 1.00 0.00 N ATOM 1057 CA GLN A 69 4.369 -6.430 -3.294 1.00 0.00 C ATOM 1058 C GLN A 69 2.840 -6.544 -3.334 1.00 0.00 C ATOM 1059 O GLN A 69 2.276 -6.951 -4.334 1.00 0.00 O ATOM 1060 CB GLN A 69 4.953 -7.482 -2.338 1.00 0.00 C ATOM 1061 CG GLN A 69 6.441 -7.676 -2.639 1.00 0.00 C ATOM 1062 CD GLN A 69 6.611 -8.764 -3.706 1.00 0.00 C ATOM 1063 OE1 GLN A 69 5.758 -8.931 -4.555 1.00 0.00 O ATOM 1064 NE2 GLN A 69 7.681 -9.521 -3.704 1.00 0.00 N ATOM 0 H GLN A 69 5.260 -5.091 -1.865 1.00 0.00 H new ATOM 0 HA GLN A 69 4.743 -6.576 -4.307 1.00 0.00 H new ATOM 0 HB2 GLN A 69 4.819 -7.164 -1.304 1.00 0.00 H new ATOM 0 HB3 GLN A 69 4.422 -8.427 -2.452 1.00 0.00 H new ATOM 0 HG2 GLN A 69 6.877 -6.740 -2.987 1.00 0.00 H new ATOM 0 HG3 GLN A 69 6.973 -7.957 -1.730 1.00 0.00 H new ATOM 0 HE21 GLN A 69 8.400 -9.385 -2.994 1.00 0.00 H new ATOM 0 HE22 GLN A 69 7.794 -10.246 -4.413 1.00 0.00 H new ATOM 1073 N THR A 70 2.158 -6.186 -2.264 1.00 0.00 N ATOM 1074 CA THR A 70 0.653 -6.283 -2.284 1.00 0.00 C ATOM 1075 C THR A 70 0.074 -5.379 -3.387 1.00 0.00 C ATOM 1076 O THR A 70 -0.954 -5.693 -3.957 1.00 0.00 O ATOM 1077 CB THR A 70 0.139 -5.860 -0.893 1.00 0.00 C ATOM 1078 OG1 THR A 70 -1.277 -5.966 -0.866 1.00 0.00 O ATOM 1079 CG2 THR A 70 0.545 -4.418 -0.587 1.00 0.00 C ATOM 0 H THR A 70 2.565 -5.838 -1.396 1.00 0.00 H new ATOM 0 HA THR A 70 0.336 -7.303 -2.503 1.00 0.00 H new ATOM 0 HB THR A 70 0.578 -6.515 -0.140 1.00 0.00 H new ATOM 0 HG1 THR A 70 -1.608 -5.700 0.017 1.00 0.00 H new ATOM 0 HG21 THR A 70 0.174 -4.137 0.398 1.00 0.00 H new ATOM 0 HG22 THR A 70 1.632 -4.335 -0.603 1.00 0.00 H new ATOM 0 HG23 THR A 70 0.119 -3.753 -1.338 1.00 0.00 H new ATOM 1087 N ALA A 71 0.723 -4.274 -3.717 1.00 0.00 N ATOM 1088 CA ALA A 71 0.175 -3.401 -4.816 1.00 0.00 C ATOM 1089 C ALA A 71 0.217 -4.187 -6.132 1.00 0.00 C ATOM 1090 O ALA A 71 -0.732 -4.176 -6.893 1.00 0.00 O ATOM 1091 CB ALA A 71 1.078 -2.158 -4.909 1.00 0.00 C ATOM 0 H ALA A 71 1.587 -3.947 -3.284 1.00 0.00 H new ATOM 0 HA ALA A 71 -0.854 -3.102 -4.617 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.711 -1.500 -5.697 1.00 0.00 H new ATOM 0 HB2 ALA A 71 1.065 -1.627 -3.957 1.00 0.00 H new ATOM 0 HB3 ALA A 71 2.098 -2.466 -5.139 1.00 0.00 H new ATOM 1097 N PHE A 72 1.303 -4.889 -6.399 1.00 0.00 N ATOM 1098 CA PHE A 72 1.372 -5.694 -7.670 1.00 0.00 C ATOM 1099 C PHE A 72 0.314 -6.800 -7.616 1.00 0.00 C ATOM 1100 O PHE A 72 -0.469 -6.959 -8.533 1.00 0.00 O ATOM 1101 CB PHE A 72 2.781 -6.303 -7.734 1.00 0.00 C ATOM 1102 CG PHE A 72 3.760 -5.230 -8.137 1.00 0.00 C ATOM 1103 CD1 PHE A 72 3.693 -4.677 -9.419 1.00 0.00 C ATOM 1104 CD2 PHE A 72 4.728 -4.782 -7.230 1.00 0.00 C ATOM 1105 CE1 PHE A 72 4.592 -3.676 -9.796 1.00 0.00 C ATOM 1106 CE2 PHE A 72 5.629 -3.782 -7.609 1.00 0.00 C ATOM 1107 CZ PHE A 72 5.561 -3.229 -8.890 1.00 0.00 C ATOM 0 H PHE A 72 2.130 -4.939 -5.803 1.00 0.00 H new ATOM 0 HA PHE A 72 1.182 -5.080 -8.550 1.00 0.00 H new ATOM 0 HB2 PHE A 72 3.056 -6.719 -6.765 1.00 0.00 H new ATOM 0 HB3 PHE A 72 2.805 -7.123 -8.451 1.00 0.00 H new ATOM 0 HD1 PHE A 72 2.946 -5.023 -10.118 1.00 0.00 H new ATOM 0 HD2 PHE A 72 4.779 -5.208 -6.239 1.00 0.00 H new ATOM 0 HE1 PHE A 72 4.539 -3.247 -10.786 1.00 0.00 H new ATOM 0 HE2 PHE A 72 6.378 -3.437 -6.911 1.00 0.00 H new ATOM 0 HZ PHE A 72 6.257 -2.456 -9.182 1.00 0.00 H new ATOM 1117 N PHE A 73 0.267 -7.556 -6.534 1.00 0.00 N ATOM 1118 CA PHE A 73 -0.777 -8.636 -6.430 1.00 0.00 C ATOM 1119 C PHE A 73 -2.170 -7.987 -6.466 1.00 0.00 C ATOM 1120 O PHE A 73 -3.074 -8.489 -7.109 1.00 0.00 O ATOM 1121 CB PHE A 73 -0.542 -9.349 -5.084 1.00 0.00 C ATOM 1122 CG PHE A 73 -1.565 -10.443 -4.889 1.00 0.00 C ATOM 1123 CD1 PHE A 73 -1.760 -11.410 -5.883 1.00 0.00 C ATOM 1124 CD2 PHE A 73 -2.320 -10.488 -3.712 1.00 0.00 C ATOM 1125 CE1 PHE A 73 -2.709 -12.422 -5.699 1.00 0.00 C ATOM 1126 CE2 PHE A 73 -3.269 -11.500 -3.527 1.00 0.00 C ATOM 1127 CZ PHE A 73 -3.464 -12.468 -4.520 1.00 0.00 C ATOM 0 H PHE A 73 0.894 -7.474 -5.734 1.00 0.00 H new ATOM 0 HA PHE A 73 -0.713 -9.349 -7.252 1.00 0.00 H new ATOM 0 HB2 PHE A 73 0.463 -9.771 -5.058 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -0.607 -8.630 -4.267 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -1.178 -11.375 -6.792 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -2.170 -9.742 -2.946 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -2.859 -13.167 -6.466 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -3.851 -11.534 -2.618 1.00 0.00 H new ATOM 0 HZ PHE A 73 -4.196 -13.249 -4.377 1.00 0.00 H new ATOM 1137 N ALA A 74 -2.349 -6.863 -5.796 1.00 0.00 N ATOM 1138 CA ALA A 74 -3.692 -6.186 -5.827 1.00 0.00 C ATOM 1139 C ALA A 74 -3.977 -5.695 -7.253 1.00 0.00 C ATOM 1140 O ALA A 74 -5.085 -5.816 -7.741 1.00 0.00 O ATOM 1141 CB ALA A 74 -3.618 -4.997 -4.857 1.00 0.00 C ATOM 0 H ALA A 74 -1.635 -6.394 -5.239 1.00 0.00 H new ATOM 0 HA ALA A 74 -4.491 -6.867 -5.534 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.575 -4.475 -4.848 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.393 -5.359 -3.854 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.834 -4.312 -5.180 1.00 0.00 H new ATOM 1147 N LEU A 75 -2.985 -5.151 -7.933 1.00 0.00 N ATOM 1148 CA LEU A 75 -3.228 -4.670 -9.343 1.00 0.00 C ATOM 1149 C LEU A 75 -3.684 -5.845 -10.219 1.00 0.00 C ATOM 1150 O LEU A 75 -4.589 -5.706 -11.020 1.00 0.00 O ATOM 1151 CB LEU A 75 -1.895 -4.103 -9.870 1.00 0.00 C ATOM 1152 CG LEU A 75 -2.157 -2.838 -10.686 1.00 0.00 C ATOM 1153 CD1 LEU A 75 -0.831 -2.115 -10.939 1.00 0.00 C ATOM 1154 CD2 LEU A 75 -2.796 -3.218 -12.024 1.00 0.00 C ATOM 0 H LEU A 75 -2.036 -5.021 -7.583 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.005 -3.906 -9.366 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.230 -3.878 -9.036 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -1.391 -4.847 -10.487 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.831 -2.181 -10.136 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -1.014 -1.212 -11.521 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.376 -1.846 -9.986 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.158 -2.772 -11.490 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.983 -2.316 -12.607 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -2.122 -3.873 -12.576 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.738 -3.735 -11.843 1.00 0.00 H new ATOM 1166 N GLU A 76 -3.082 -7.006 -10.060 1.00 0.00 N ATOM 1167 CA GLU A 76 -3.520 -8.185 -10.885 1.00 0.00 C ATOM 1168 C GLU A 76 -4.885 -8.672 -10.382 1.00 0.00 C ATOM 1169 O GLU A 76 -5.756 -9.000 -11.165 1.00 0.00 O ATOM 1170 CB GLU A 76 -2.456 -9.279 -10.702 1.00 0.00 C ATOM 1171 CG GLU A 76 -2.817 -10.495 -11.559 1.00 0.00 C ATOM 1172 CD GLU A 76 -2.066 -11.724 -11.045 1.00 0.00 C ATOM 1173 OE1 GLU A 76 -2.533 -12.322 -10.089 1.00 0.00 O ATOM 1174 OE2 GLU A 76 -1.037 -12.046 -11.615 1.00 0.00 O ATOM 0 H GLU A 76 -2.320 -7.187 -9.407 1.00 0.00 H new ATOM 0 HA GLU A 76 -3.619 -7.925 -11.939 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -1.475 -8.898 -10.988 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -2.393 -9.567 -9.653 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -3.892 -10.672 -11.524 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -2.559 -10.308 -12.601 1.00 0.00 H new ATOM 1181 N ALA A 77 -5.086 -8.706 -9.080 1.00 0.00 N ATOM 1182 CA ALA A 77 -6.418 -9.157 -8.545 1.00 0.00 C ATOM 1183 C ALA A 77 -7.516 -8.174 -8.978 1.00 0.00 C ATOM 1184 O ALA A 77 -8.626 -8.577 -9.271 1.00 0.00 O ATOM 1185 CB ALA A 77 -6.301 -9.180 -7.012 1.00 0.00 C ATOM 0 H ALA A 77 -4.397 -8.445 -8.375 1.00 0.00 H new ATOM 0 HA ALA A 77 -6.681 -10.143 -8.928 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -7.248 -9.503 -6.580 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.513 -9.873 -6.718 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.059 -8.181 -6.651 1.00 0.00 H new ATOM 1191 N LEU A 78 -7.222 -6.887 -9.028 1.00 0.00 N ATOM 1192 CA LEU A 78 -8.280 -5.902 -9.455 1.00 0.00 C ATOM 1193 C LEU A 78 -8.717 -6.198 -10.899 1.00 0.00 C ATOM 1194 O LEU A 78 -9.888 -6.105 -11.222 1.00 0.00 O ATOM 1195 CB LEU A 78 -7.649 -4.503 -9.370 1.00 0.00 C ATOM 1196 CG LEU A 78 -8.728 -3.480 -9.015 1.00 0.00 C ATOM 1197 CD1 LEU A 78 -9.115 -3.636 -7.544 1.00 0.00 C ATOM 1198 CD2 LEU A 78 -8.188 -2.069 -9.253 1.00 0.00 C ATOM 0 H LEU A 78 -6.314 -6.483 -8.797 1.00 0.00 H new ATOM 0 HA LEU A 78 -9.161 -5.970 -8.816 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.861 -4.493 -8.617 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -7.185 -4.243 -10.321 1.00 0.00 H new ATOM 0 HG LEU A 78 -9.605 -3.645 -9.640 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -9.884 -2.907 -7.291 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -9.499 -4.642 -7.373 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -8.238 -3.471 -6.918 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -8.956 -1.338 -9.000 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -7.311 -1.905 -8.627 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.912 -1.957 -10.301 1.00 0.00 H new ATOM 1210 N GLN A 79 -7.794 -6.555 -11.773 1.00 0.00 N ATOM 1211 CA GLN A 79 -8.192 -6.854 -13.198 1.00 0.00 C ATOM 1212 C GLN A 79 -9.224 -7.993 -13.241 1.00 0.00 C ATOM 1213 O GLN A 79 -10.119 -7.986 -14.067 1.00 0.00 O ATOM 1214 CB GLN A 79 -6.912 -7.273 -13.938 1.00 0.00 C ATOM 1215 CG GLN A 79 -6.089 -6.029 -14.278 1.00 0.00 C ATOM 1216 CD GLN A 79 -4.735 -6.455 -14.860 1.00 0.00 C ATOM 1217 OE1 GLN A 79 -4.681 -7.033 -15.928 1.00 0.00 O ATOM 1218 NE2 GLN A 79 -3.629 -6.195 -14.205 1.00 0.00 N ATOM 0 H GLN A 79 -6.800 -6.651 -11.567 1.00 0.00 H new ATOM 0 HA GLN A 79 -8.648 -5.980 -13.664 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.326 -7.951 -13.318 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -7.167 -7.814 -14.849 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -6.627 -5.409 -14.996 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -5.938 -5.424 -13.384 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -3.669 -5.710 -13.308 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -2.729 -6.478 -14.592 1.00 0.00 H new ATOM 1227 N GLN A 80 -9.114 -8.974 -12.366 1.00 0.00 N ATOM 1228 CA GLN A 80 -10.110 -10.105 -12.387 1.00 0.00 C ATOM 1229 C GLN A 80 -11.473 -9.620 -11.874 1.00 0.00 C ATOM 1230 O GLN A 80 -12.503 -9.980 -12.414 1.00 0.00 O ATOM 1231 CB GLN A 80 -9.555 -11.204 -11.465 1.00 0.00 C ATOM 1232 CG GLN A 80 -10.158 -12.553 -11.860 1.00 0.00 C ATOM 1233 CD GLN A 80 -9.298 -13.197 -12.955 1.00 0.00 C ATOM 1234 OE1 GLN A 80 -8.107 -12.967 -13.017 1.00 0.00 O ATOM 1235 NE2 GLN A 80 -9.851 -14.000 -13.832 1.00 0.00 N ATOM 0 H GLN A 80 -8.391 -9.041 -11.650 1.00 0.00 H new ATOM 0 HA GLN A 80 -10.253 -10.481 -13.400 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -8.468 -11.243 -11.541 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -9.794 -10.977 -10.426 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -10.210 -13.209 -10.991 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -11.179 -12.416 -12.218 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -10.851 -14.196 -13.784 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -9.281 -14.428 -14.562 1.00 0.00 H new ATOM 1244 N GLY A 81 -11.492 -8.805 -10.842 1.00 0.00 N ATOM 1245 CA GLY A 81 -12.794 -8.303 -10.309 1.00 0.00 C ATOM 1246 C GLY A 81 -12.822 -8.450 -8.781 1.00 0.00 C ATOM 1247 O GLY A 81 -13.472 -9.334 -8.254 1.00 0.00 O ATOM 0 H GLY A 81 -10.664 -8.469 -10.350 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -12.932 -7.258 -10.585 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -13.618 -8.861 -10.752 1.00 0.00 H new ATOM 1251 N GLU A 82 -12.128 -7.591 -8.060 1.00 0.00 N ATOM 1252 CA GLU A 82 -12.128 -7.691 -6.570 1.00 0.00 C ATOM 1253 C GLU A 82 -12.650 -6.383 -5.954 1.00 0.00 C ATOM 1254 O GLU A 82 -12.823 -5.398 -6.648 1.00 0.00 O ATOM 1255 CB GLU A 82 -10.665 -7.918 -6.187 1.00 0.00 C ATOM 1256 CG GLU A 82 -10.410 -9.416 -6.002 1.00 0.00 C ATOM 1257 CD GLU A 82 -11.048 -9.885 -4.693 1.00 0.00 C ATOM 1258 OE1 GLU A 82 -12.241 -10.140 -4.697 1.00 0.00 O ATOM 1259 OE2 GLU A 82 -10.333 -9.982 -3.710 1.00 0.00 O ATOM 0 H GLU A 82 -11.566 -6.831 -8.443 1.00 0.00 H new ATOM 0 HA GLU A 82 -12.771 -8.493 -6.209 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -10.010 -7.520 -6.962 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -10.432 -7.383 -5.267 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -10.826 -9.973 -6.842 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -9.338 -9.614 -5.988 1.00 0.00 H new ATOM 1266 N SER A 83 -12.902 -6.359 -4.660 1.00 0.00 N ATOM 1267 CA SER A 83 -13.411 -5.105 -4.023 1.00 0.00 C ATOM 1268 C SER A 83 -12.377 -4.550 -3.032 1.00 0.00 C ATOM 1269 O SER A 83 -11.773 -5.293 -2.280 1.00 0.00 O ATOM 1270 CB SER A 83 -14.686 -5.512 -3.286 1.00 0.00 C ATOM 1271 OG SER A 83 -15.719 -5.757 -4.233 1.00 0.00 O ATOM 0 H SER A 83 -12.777 -7.149 -4.027 1.00 0.00 H new ATOM 0 HA SER A 83 -13.599 -4.324 -4.760 1.00 0.00 H new ATOM 0 HB2 SER A 83 -14.505 -6.406 -2.689 1.00 0.00 H new ATOM 0 HB3 SER A 83 -14.988 -4.724 -2.597 1.00 0.00 H new ATOM 0 HG SER A 83 -16.538 -6.020 -3.763 1.00 0.00 H new ATOM 1277 N ALA A 84 -12.166 -3.250 -3.022 1.00 0.00 N ATOM 1278 CA ALA A 84 -11.165 -2.660 -2.070 1.00 0.00 C ATOM 1279 C ALA A 84 -11.861 -2.074 -0.821 1.00 0.00 C ATOM 1280 O ALA A 84 -11.305 -2.100 0.261 1.00 0.00 O ATOM 1281 CB ALA A 84 -10.442 -1.555 -2.856 1.00 0.00 C ATOM 0 H ALA A 84 -12.639 -2.578 -3.626 1.00 0.00 H new ATOM 0 HA ALA A 84 -10.471 -3.418 -1.708 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -9.696 -1.083 -2.217 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -9.951 -1.990 -3.727 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -11.165 -0.808 -3.182 1.00 0.00 H new ATOM 1287 N GLU A 85 -13.063 -1.538 -0.951 1.00 0.00 N ATOM 1288 CA GLU A 85 -13.756 -0.952 0.256 1.00 0.00 C ATOM 1289 C GLU A 85 -13.907 -2.007 1.364 1.00 0.00 C ATOM 1290 O GLU A 85 -13.782 -1.698 2.534 1.00 0.00 O ATOM 1291 CB GLU A 85 -15.143 -0.481 -0.212 1.00 0.00 C ATOM 1292 CG GLU A 85 -15.793 0.364 0.885 1.00 0.00 C ATOM 1293 CD GLU A 85 -15.250 1.793 0.818 1.00 0.00 C ATOM 1294 OE1 GLU A 85 -15.100 2.298 -0.283 1.00 0.00 O ATOM 1295 OE2 GLU A 85 -14.993 2.358 1.868 1.00 0.00 O ATOM 0 H GLU A 85 -13.586 -1.481 -1.825 1.00 0.00 H new ATOM 0 HA GLU A 85 -13.174 -0.127 0.667 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -15.050 0.102 -1.128 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -15.772 -1.341 -0.444 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -16.876 0.369 0.761 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -15.586 -0.070 1.863 1.00 0.00 H new ATOM 1302 N ASN A 86 -14.178 -3.247 1.013 1.00 0.00 N ATOM 1303 CA ASN A 86 -14.338 -4.308 2.075 1.00 0.00 C ATOM 1304 C ASN A 86 -13.063 -4.403 2.928 1.00 0.00 C ATOM 1305 O ASN A 86 -13.135 -4.574 4.130 1.00 0.00 O ATOM 1306 CB ASN A 86 -14.584 -5.637 1.345 1.00 0.00 C ATOM 1307 CG ASN A 86 -16.084 -5.797 1.064 1.00 0.00 C ATOM 1308 OD1 ASN A 86 -16.904 -5.378 1.857 1.00 0.00 O ATOM 1309 ND2 ASN A 86 -16.485 -6.386 -0.035 1.00 0.00 N ATOM 0 H ASN A 86 -14.294 -3.570 0.053 1.00 0.00 H new ATOM 0 HA ASN A 86 -15.167 -4.068 2.741 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -14.024 -5.660 0.410 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -14.226 -6.469 1.952 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -17.482 -6.491 -0.222 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -15.800 -6.739 -0.703 1.00 0.00 H new ATOM 1316 N ILE A 87 -11.898 -4.287 2.323 1.00 0.00 N ATOM 1317 CA ILE A 87 -10.632 -4.368 3.136 1.00 0.00 C ATOM 1318 C ILE A 87 -10.592 -3.211 4.154 1.00 0.00 C ATOM 1319 O ILE A 87 -10.134 -3.386 5.268 1.00 0.00 O ATOM 1320 CB ILE A 87 -9.456 -4.263 2.146 1.00 0.00 C ATOM 1321 CG1 ILE A 87 -9.507 -5.443 1.167 1.00 0.00 C ATOM 1322 CG2 ILE A 87 -8.129 -4.301 2.909 1.00 0.00 C ATOM 1323 CD1 ILE A 87 -9.034 -4.995 -0.221 1.00 0.00 C ATOM 0 H ILE A 87 -11.768 -4.143 1.322 1.00 0.00 H new ATOM 0 HA ILE A 87 -10.577 -5.302 3.695 1.00 0.00 H new ATOM 0 HB ILE A 87 -9.532 -3.324 1.598 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -8.877 -6.255 1.530 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -10.524 -5.831 1.106 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -7.301 -4.226 2.204 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -8.087 -3.465 3.608 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -8.053 -5.238 3.460 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -9.074 -5.839 -0.909 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -9.682 -4.198 -0.587 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -8.010 -4.628 -0.155 1.00 0.00 H new ATOM 1335 N VAL A 88 -11.066 -2.033 3.788 1.00 0.00 N ATOM 1336 CA VAL A 88 -11.040 -0.883 4.770 1.00 0.00 C ATOM 1337 C VAL A 88 -11.834 -1.250 6.034 1.00 0.00 C ATOM 1338 O VAL A 88 -11.442 -0.902 7.132 1.00 0.00 O ATOM 1339 CB VAL A 88 -11.679 0.328 4.066 1.00 0.00 C ATOM 1340 CG1 VAL A 88 -11.692 1.532 5.012 1.00 0.00 C ATOM 1341 CG2 VAL A 88 -10.861 0.682 2.824 1.00 0.00 C ATOM 0 H VAL A 88 -11.462 -1.819 2.873 1.00 0.00 H new ATOM 0 HA VAL A 88 -10.019 -0.654 5.076 1.00 0.00 H new ATOM 0 HB VAL A 88 -12.701 0.077 3.781 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -12.145 2.386 4.508 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -12.270 1.288 5.904 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -10.670 1.781 5.299 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -11.312 1.539 2.324 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -9.841 0.929 3.118 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -10.847 -0.169 2.143 1.00 0.00 H new ATOM 1351 N SER A 89 -12.943 -1.953 5.898 1.00 0.00 N ATOM 1352 CA SER A 89 -13.738 -2.333 7.125 1.00 0.00 C ATOM 1353 C SER A 89 -12.844 -3.122 8.094 1.00 0.00 C ATOM 1354 O SER A 89 -12.872 -2.896 9.289 1.00 0.00 O ATOM 1355 CB SER A 89 -14.907 -3.207 6.648 1.00 0.00 C ATOM 1356 OG SER A 89 -15.917 -2.376 6.089 1.00 0.00 O ATOM 0 H SER A 89 -13.327 -2.275 5.010 1.00 0.00 H new ATOM 0 HA SER A 89 -14.106 -1.450 7.648 1.00 0.00 H new ATOM 0 HB2 SER A 89 -14.560 -3.926 5.906 1.00 0.00 H new ATOM 0 HB3 SER A 89 -15.312 -3.780 7.482 1.00 0.00 H new ATOM 0 HG SER A 89 -16.664 -2.931 5.782 1.00 0.00 H new ATOM 1362 N LYS A 90 -12.033 -4.028 7.586 1.00 0.00 N ATOM 1363 CA LYS A 90 -11.120 -4.800 8.500 1.00 0.00 C ATOM 1364 C LYS A 90 -10.027 -3.869 9.049 1.00 0.00 C ATOM 1365 O LYS A 90 -9.610 -4.010 10.184 1.00 0.00 O ATOM 1366 CB LYS A 90 -10.494 -5.927 7.663 1.00 0.00 C ATOM 1367 CG LYS A 90 -10.299 -7.165 8.539 1.00 0.00 C ATOM 1368 CD LYS A 90 -9.275 -8.097 7.887 1.00 0.00 C ATOM 1369 CE LYS A 90 -9.990 -9.051 6.928 1.00 0.00 C ATOM 1370 NZ LYS A 90 -9.234 -10.331 7.025 1.00 0.00 N ATOM 0 H LYS A 90 -11.964 -4.263 6.596 1.00 0.00 H new ATOM 0 HA LYS A 90 -11.666 -5.212 9.349 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -11.137 -6.166 6.816 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -9.537 -5.603 7.255 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -9.958 -6.871 9.532 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -11.248 -7.685 8.669 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -8.529 -7.514 7.347 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -8.744 -8.664 8.652 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -11.034 -9.186 7.211 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -9.984 -8.665 5.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -9.665 -11.037 6.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -8.245 -10.173 6.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -9.263 -10.678 8.005 1.00 0.00 H new ATOM 1384 N ILE A 91 -9.567 -2.908 8.268 1.00 0.00 N ATOM 1385 CA ILE A 91 -8.512 -1.973 8.791 1.00 0.00 C ATOM 1386 C ILE A 91 -9.139 -1.032 9.829 1.00 0.00 C ATOM 1387 O ILE A 91 -8.538 -0.743 10.847 1.00 0.00 O ATOM 1388 CB ILE A 91 -7.974 -1.173 7.588 1.00 0.00 C ATOM 1389 CG1 ILE A 91 -7.385 -2.127 6.533 1.00 0.00 C ATOM 1390 CG2 ILE A 91 -6.883 -0.208 8.059 1.00 0.00 C ATOM 1391 CD1 ILE A 91 -6.288 -2.998 7.157 1.00 0.00 C ATOM 0 H ILE A 91 -9.871 -2.735 7.310 1.00 0.00 H new ATOM 0 HA ILE A 91 -7.700 -2.517 9.273 1.00 0.00 H new ATOM 0 HB ILE A 91 -8.797 -0.613 7.144 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -8.173 -2.760 6.125 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -6.975 -1.553 5.702 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -6.504 0.357 7.207 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -7.299 0.481 8.794 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -6.068 -0.773 8.511 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -5.880 -3.668 6.400 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -5.493 -2.360 7.543 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -6.710 -3.586 7.972 1.00 0.00 H new ATOM 1403 N ARG A 92 -10.345 -0.556 9.588 1.00 0.00 N ATOM 1404 CA ARG A 92 -10.992 0.362 10.591 1.00 0.00 C ATOM 1405 C ARG A 92 -11.172 -0.368 11.929 1.00 0.00 C ATOM 1406 O ARG A 92 -10.998 0.219 12.982 1.00 0.00 O ATOM 1407 CB ARG A 92 -12.360 0.764 10.015 1.00 0.00 C ATOM 1408 CG ARG A 92 -12.818 2.076 10.655 1.00 0.00 C ATOM 1409 CD ARG A 92 -14.340 2.196 10.544 1.00 0.00 C ATOM 1410 NE ARG A 92 -14.590 3.628 10.226 1.00 0.00 N ATOM 1411 CZ ARG A 92 -14.535 4.041 8.989 1.00 0.00 C ATOM 1412 NH1 ARG A 92 -15.396 3.599 8.114 1.00 0.00 N ATOM 1413 NH2 ARG A 92 -13.619 4.898 8.627 1.00 0.00 N ATOM 0 H ARG A 92 -10.900 -0.759 8.757 1.00 0.00 H new ATOM 0 HA ARG A 92 -10.375 1.242 10.771 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -12.291 0.879 8.933 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -13.092 -0.021 10.206 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -12.516 2.107 11.702 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -12.339 2.921 10.160 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -14.732 1.544 9.763 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -14.828 1.907 11.475 1.00 0.00 H new ATOM 0 HE ARG A 92 -14.804 4.287 10.975 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -16.113 2.930 8.396 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -15.353 3.922 7.148 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -12.946 5.245 9.311 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -13.576 5.221 7.660 1.00 0.00 H new ATOM 1427 N MET A 93 -11.505 -1.644 11.907 1.00 0.00 N ATOM 1428 CA MET A 93 -11.672 -2.386 13.207 1.00 0.00 C ATOM 1429 C MET A 93 -10.297 -2.613 13.850 1.00 0.00 C ATOM 1430 O MET A 93 -10.146 -2.488 15.051 1.00 0.00 O ATOM 1431 CB MET A 93 -12.338 -3.730 12.873 1.00 0.00 C ATOM 1432 CG MET A 93 -13.019 -4.286 14.125 1.00 0.00 C ATOM 1433 SD MET A 93 -14.094 -5.668 13.663 1.00 0.00 S ATOM 1434 CE MET A 93 -14.001 -6.562 15.233 1.00 0.00 C ATOM 0 H MET A 93 -11.666 -2.194 11.063 1.00 0.00 H new ATOM 0 HA MET A 93 -12.283 -1.822 13.912 1.00 0.00 H new ATOM 0 HB2 MET A 93 -13.070 -3.597 12.076 1.00 0.00 H new ATOM 0 HB3 MET A 93 -11.593 -4.436 12.507 1.00 0.00 H new ATOM 0 HG2 MET A 93 -12.269 -4.619 14.843 1.00 0.00 H new ATOM 0 HG3 MET A 93 -13.602 -3.505 14.612 1.00 0.00 H new ATOM 0 HE1 MET A 93 -14.604 -7.468 15.172 1.00 0.00 H new ATOM 0 HE2 MET A 93 -12.964 -6.829 15.439 1.00 0.00 H new ATOM 0 HE3 MET A 93 -14.379 -5.928 16.035 1.00 0.00 H new ATOM 1444 N MET A 94 -9.288 -2.926 13.063 1.00 0.00 N ATOM 1445 CA MET A 94 -7.922 -3.137 13.657 1.00 0.00 C ATOM 1446 C MET A 94 -7.330 -1.786 14.083 1.00 0.00 C ATOM 1447 O MET A 94 -6.686 -1.691 15.112 1.00 0.00 O ATOM 1448 CB MET A 94 -7.054 -3.786 12.567 1.00 0.00 C ATOM 1449 CG MET A 94 -6.100 -4.795 13.209 1.00 0.00 C ATOM 1450 SD MET A 94 -5.415 -5.876 11.928 1.00 0.00 S ATOM 1451 CE MET A 94 -4.153 -6.671 12.953 1.00 0.00 C ATOM 0 H MET A 94 -9.348 -3.043 12.052 1.00 0.00 H new ATOM 0 HA MET A 94 -7.967 -3.775 14.539 1.00 0.00 H new ATOM 0 HB2 MET A 94 -7.686 -4.284 11.832 1.00 0.00 H new ATOM 0 HB3 MET A 94 -6.488 -3.022 12.035 1.00 0.00 H new ATOM 0 HG2 MET A 94 -5.296 -4.273 13.727 1.00 0.00 H new ATOM 0 HG3 MET A 94 -6.629 -5.388 13.956 1.00 0.00 H new ATOM 0 HE1 MET A 94 -3.598 -7.392 12.353 1.00 0.00 H new ATOM 0 HE2 MET A 94 -3.468 -5.916 13.338 1.00 0.00 H new ATOM 0 HE3 MET A 94 -4.632 -7.185 13.786 1.00 0.00 H new ATOM 1461 N ASN A 95 -7.554 -0.735 13.317 1.00 0.00 N ATOM 1462 CA ASN A 95 -7.002 0.605 13.727 1.00 0.00 C ATOM 1463 C ASN A 95 -7.802 1.149 14.920 1.00 0.00 C ATOM 1464 O ASN A 95 -7.243 1.772 15.804 1.00 0.00 O ATOM 1465 CB ASN A 95 -7.130 1.552 12.517 1.00 0.00 C ATOM 1466 CG ASN A 95 -5.763 1.707 11.838 1.00 0.00 C ATOM 1467 OD1 ASN A 95 -5.369 0.829 10.947 1.00 0.00 O flip ATOM 1468 ND2 ASN A 95 -5.040 2.642 12.121 1.00 0.00 N flip ATOM 0 H ASN A 95 -8.083 -0.745 12.445 1.00 0.00 H new ATOM 0 HA ASN A 95 -5.958 0.520 14.029 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -7.857 1.156 11.808 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -7.499 2.525 12.841 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -5.341 3.328 12.813 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -4.132 2.741 11.666 1.00 0.00 H new