USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=18 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 83 SER OG : rot -170:sc= 0.0479 USER MOD Set 1.2: A 86 ASN : amide:sc= -0.208 K(o=-0.16,f=-2.3!) USER MOD Set 2.1: A 17 LYS NZ :NH3+ 153:sc=0.000771 (180deg=-0.199) USER MOD Set 2.2: A 66 ASN : amide:sc= -0.978 K(o=-0.98,f=-2.7!) USER MOD Single : A 3 GLN : amide:sc= -0.188 X(o=-0.19,f=-0.55) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.05) USER MOD Single : A 6 TYR OH : rot 130:sc= 0 USER MOD Single : A 7 THR OG1 : rot 116:sc= 1.19 USER MOD Single : A 9 ASN :FLIP amide:sc= 0.416 F(o=-0.95,f=0.42) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 13:sc= -4.99! USER MOD Single : A 41 ASN :FLIP amide:sc= -2.84! C(o=-3.9!,f=-2.8!) USER MOD Single : A 44 THR OG1 : rot -170:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 80:sc= 0.343 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0.104 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= -0.0344 K(o=-0.034,f=-1.4!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=-0.081) USER MOD Single : A 80 GLN : amide:sc= 0.72 K(o=0.72,f=-0.1) 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 -171:sc= -1.28 (180deg=-1.6) USER MOD Single : A 95 ASN :FLIP amide:sc=-0.000488 F(o=-1.8!,f=-0.00049) USER MOD ----------------------------------------------------------------- ATOM 31 N GLN A 3 -5.331 5.708 -15.672 1.00 0.00 N ATOM 32 CA GLN A 3 -5.715 4.547 -14.814 1.00 0.00 C ATOM 33 C GLN A 3 -6.067 5.024 -13.395 1.00 0.00 C ATOM 34 O GLN A 3 -5.290 4.857 -12.472 1.00 0.00 O ATOM 35 CB GLN A 3 -4.479 3.646 -14.788 1.00 0.00 C ATOM 36 CG GLN A 3 -4.273 3.019 -16.170 1.00 0.00 C ATOM 37 CD GLN A 3 -5.423 2.050 -16.469 1.00 0.00 C ATOM 38 OE1 GLN A 3 -5.610 1.080 -15.761 1.00 0.00 O ATOM 39 NE2 GLN A 3 -6.213 2.267 -17.494 1.00 0.00 N ATOM 0 HA GLN A 3 -6.592 4.025 -15.197 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -3.600 4.225 -14.505 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -4.601 2.865 -14.037 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -4.232 3.798 -16.932 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -3.320 2.491 -16.203 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -6.061 3.079 -18.092 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -6.979 1.623 -17.693 1.00 0.00 H new ATOM 48 N GLU A 4 -7.234 5.609 -13.206 1.00 0.00 N ATOM 49 CA GLU A 4 -7.619 6.081 -11.833 1.00 0.00 C ATOM 50 C GLU A 4 -8.470 5.012 -11.132 1.00 0.00 C ATOM 51 O GLU A 4 -8.296 4.761 -9.954 1.00 0.00 O ATOM 52 CB GLU A 4 -8.424 7.370 -12.034 1.00 0.00 C ATOM 53 CG GLU A 4 -8.174 8.318 -10.859 1.00 0.00 C ATOM 54 CD GLU A 4 -6.892 9.115 -11.110 1.00 0.00 C ATOM 55 OE1 GLU A 4 -5.829 8.517 -11.070 1.00 0.00 O ATOM 56 OE2 GLU A 4 -6.995 10.309 -11.335 1.00 0.00 O ATOM 0 H GLU A 4 -7.927 5.777 -13.935 1.00 0.00 H new ATOM 0 HA GLU A 4 -6.745 6.261 -11.208 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -8.135 7.849 -12.969 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -9.487 7.139 -12.109 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -9.019 8.996 -10.739 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -8.087 7.751 -9.932 1.00 0.00 H new ATOM 63 N GLN A 5 -9.380 4.367 -11.840 1.00 0.00 N ATOM 64 CA GLN A 5 -10.219 3.297 -11.178 1.00 0.00 C ATOM 65 C GLN A 5 -9.300 2.255 -10.514 1.00 0.00 C ATOM 66 O GLN A 5 -9.579 1.781 -9.429 1.00 0.00 O ATOM 67 CB GLN A 5 -11.094 2.654 -12.276 1.00 0.00 C ATOM 68 CG GLN A 5 -10.220 1.944 -13.317 1.00 0.00 C ATOM 69 CD GLN A 5 -11.095 1.471 -14.484 1.00 0.00 C ATOM 70 OE1 GLN A 5 -12.098 0.819 -14.273 1.00 0.00 O ATOM 71 NE2 GLN A 5 -10.760 1.769 -15.716 1.00 0.00 N ATOM 0 H GLN A 5 -9.577 4.529 -12.828 1.00 0.00 H new ATOM 0 HA GLN A 5 -10.855 3.716 -10.398 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -11.785 1.941 -11.826 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -11.698 3.420 -12.762 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -9.446 2.621 -13.680 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -9.712 1.094 -12.862 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -9.919 2.316 -15.898 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -11.341 1.454 -16.493 1.00 0.00 H new ATOM 80 N TYR A 6 -8.184 1.931 -11.136 1.00 0.00 N ATOM 81 CA TYR A 6 -7.232 0.959 -10.497 1.00 0.00 C ATOM 82 C TYR A 6 -6.513 1.667 -9.339 1.00 0.00 C ATOM 83 O TYR A 6 -6.239 1.071 -8.317 1.00 0.00 O ATOM 84 CB TYR A 6 -6.213 0.550 -11.573 1.00 0.00 C ATOM 85 CG TYR A 6 -6.839 -0.433 -12.533 1.00 0.00 C ATOM 86 CD1 TYR A 6 -7.605 0.032 -13.609 1.00 0.00 C ATOM 87 CD2 TYR A 6 -6.647 -1.807 -12.352 1.00 0.00 C ATOM 88 CE1 TYR A 6 -8.181 -0.879 -14.502 1.00 0.00 C ATOM 89 CE2 TYR A 6 -7.221 -2.717 -13.245 1.00 0.00 C ATOM 90 CZ TYR A 6 -7.989 -2.254 -14.321 1.00 0.00 C ATOM 91 OH TYR A 6 -8.556 -3.152 -15.203 1.00 0.00 O ATOM 0 H TYR A 6 -7.895 2.292 -12.045 1.00 0.00 H new ATOM 0 HA TYR A 6 -7.751 0.082 -10.110 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -5.871 1.432 -12.115 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -5.336 0.104 -11.104 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -7.751 1.093 -13.750 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -6.055 -2.165 -11.522 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -8.774 -0.521 -15.331 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -7.072 -3.777 -13.105 1.00 0.00 H new ATOM 0 HH TYR A 6 -7.874 -3.786 -15.508 1.00 0.00 H new ATOM 101 N THR A 7 -6.207 2.943 -9.492 1.00 0.00 N ATOM 102 CA THR A 7 -5.509 3.687 -8.388 1.00 0.00 C ATOM 103 C THR A 7 -6.434 3.808 -7.170 1.00 0.00 C ATOM 104 O THR A 7 -5.995 3.666 -6.043 1.00 0.00 O ATOM 105 CB THR A 7 -5.176 5.082 -8.956 1.00 0.00 C ATOM 106 OG1 THR A 7 -4.309 4.939 -10.072 1.00 0.00 O ATOM 107 CG2 THR A 7 -4.498 5.955 -7.896 1.00 0.00 C ATOM 0 H THR A 7 -6.409 3.494 -10.326 1.00 0.00 H new ATOM 0 HA THR A 7 -4.607 3.170 -8.061 1.00 0.00 H new ATOM 0 HB THR A 7 -6.105 5.564 -9.261 1.00 0.00 H new ATOM 0 HG1 THR A 7 -4.764 5.252 -10.882 1.00 0.00 H new ATOM 0 HG21 THR A 7 -4.273 6.934 -8.320 1.00 0.00 H new ATOM 0 HG22 THR A 7 -5.165 6.074 -7.042 1.00 0.00 H new ATOM 0 HG23 THR A 7 -3.573 5.479 -7.570 1.00 0.00 H new ATOM 115 N GLU A 8 -7.708 4.069 -7.377 1.00 0.00 N ATOM 116 CA GLU A 8 -8.636 4.192 -6.198 1.00 0.00 C ATOM 117 C GLU A 8 -8.832 2.821 -5.547 1.00 0.00 C ATOM 118 O GLU A 8 -8.842 2.707 -4.334 1.00 0.00 O ATOM 119 CB GLU A 8 -9.972 4.735 -6.729 1.00 0.00 C ATOM 120 CG GLU A 8 -10.638 5.594 -5.653 1.00 0.00 C ATOM 121 CD GLU A 8 -11.438 4.697 -4.706 1.00 0.00 C ATOM 122 OE1 GLU A 8 -12.518 4.279 -5.088 1.00 0.00 O ATOM 123 OE2 GLU A 8 -10.956 4.443 -3.614 1.00 0.00 O ATOM 0 H GLU A 8 -8.140 4.200 -8.292 1.00 0.00 H new ATOM 0 HA GLU A 8 -8.227 4.863 -5.442 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -9.804 5.326 -7.629 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -10.627 3.910 -7.007 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -9.882 6.147 -5.095 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -11.295 6.330 -6.116 1.00 0.00 H new ATOM 130 N ASN A 9 -8.961 1.774 -6.332 1.00 0.00 N ATOM 131 CA ASN A 9 -9.123 0.411 -5.719 1.00 0.00 C ATOM 132 C ASN A 9 -7.759 -0.077 -5.215 1.00 0.00 C ATOM 133 O ASN A 9 -7.669 -0.699 -4.172 1.00 0.00 O ATOM 134 CB ASN A 9 -9.658 -0.517 -6.820 1.00 0.00 C ATOM 135 CG ASN A 9 -11.095 -0.113 -7.176 1.00 0.00 C ATOM 136 OD1 ASN A 9 -12.104 -0.810 -6.711 1.00 0.00 O flip ATOM 137 ND2 ASN A 9 -11.303 0.850 -7.886 1.00 0.00 N flip ATOM 0 H ASN A 9 -8.962 1.801 -7.352 1.00 0.00 H new ATOM 0 HA ASN A 9 -9.812 0.428 -4.874 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -9.022 -0.455 -7.703 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -9.633 -1.553 -6.481 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -10.521 1.394 -8.249 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -12.260 1.115 -8.119 1.00 0.00 H new ATOM 144 N LEU A 10 -6.691 0.219 -5.931 1.00 0.00 N ATOM 145 CA LEU A 10 -5.335 -0.219 -5.454 1.00 0.00 C ATOM 146 C LEU A 10 -4.956 0.568 -4.193 1.00 0.00 C ATOM 147 O LEU A 10 -4.358 0.025 -3.282 1.00 0.00 O ATOM 148 CB LEU A 10 -4.344 0.080 -6.590 1.00 0.00 C ATOM 149 CG LEU A 10 -2.957 -0.426 -6.200 1.00 0.00 C ATOM 150 CD1 LEU A 10 -2.936 -1.956 -6.249 1.00 0.00 C ATOM 151 CD2 LEU A 10 -1.920 0.132 -7.176 1.00 0.00 C ATOM 0 H LEU A 10 -6.700 0.736 -6.810 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.324 -1.280 -5.205 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -4.673 -0.402 -7.511 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.310 1.152 -6.785 1.00 0.00 H new ATOM 0 HG LEU A 10 -2.720 -0.095 -5.189 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -1.945 -2.315 -5.970 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.675 -2.353 -5.553 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.173 -2.291 -7.259 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.929 -0.228 -6.899 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.157 -0.199 -8.187 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.934 1.221 -7.138 1.00 0.00 H new ATOM 163 N LYS A 11 -5.305 1.840 -4.118 1.00 0.00 N ATOM 164 CA LYS A 11 -4.957 2.630 -2.883 1.00 0.00 C ATOM 165 C LYS A 11 -5.603 1.994 -1.641 1.00 0.00 C ATOM 166 O LYS A 11 -5.059 2.079 -0.555 1.00 0.00 O ATOM 167 CB LYS A 11 -5.499 4.054 -3.094 1.00 0.00 C ATOM 168 CG LYS A 11 -4.990 4.965 -1.977 1.00 0.00 C ATOM 169 CD LYS A 11 -6.025 5.024 -0.852 1.00 0.00 C ATOM 170 CE LYS A 11 -5.690 6.183 0.090 1.00 0.00 C ATOM 171 NZ LYS A 11 -7.009 6.679 0.572 1.00 0.00 N ATOM 0 H LYS A 11 -5.805 2.355 -4.842 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.879 2.643 -2.723 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.179 4.436 -4.063 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -6.589 4.042 -3.100 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.041 4.591 -1.593 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -4.804 5.966 -2.367 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -7.023 5.157 -1.269 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.032 4.084 -0.301 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -5.066 5.850 0.919 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -5.139 6.967 -0.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -6.863 7.476 1.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -7.578 6.995 -0.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -7.508 5.913 1.068 1.00 0.00 H new ATOM 185 N VAL A 12 -6.746 1.347 -1.781 1.00 0.00 N ATOM 186 CA VAL A 12 -7.382 0.707 -0.577 1.00 0.00 C ATOM 187 C VAL A 12 -6.623 -0.582 -0.235 1.00 0.00 C ATOM 188 O VAL A 12 -6.298 -0.827 0.912 1.00 0.00 O ATOM 189 CB VAL A 12 -8.839 0.397 -0.963 1.00 0.00 C ATOM 190 CG1 VAL A 12 -9.542 -0.321 0.191 1.00 0.00 C ATOM 191 CG2 VAL A 12 -9.572 1.705 -1.267 1.00 0.00 C ATOM 0 H VAL A 12 -7.255 1.237 -2.658 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.351 1.357 0.297 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.848 -0.245 -1.844 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.573 -0.537 -0.089 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -9.022 -1.254 0.410 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.532 0.316 1.076 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.605 1.488 -1.541 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.557 2.344 -0.384 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -9.077 2.216 -2.093 1.00 0.00 H new ATOM 201 N ILE A 13 -6.327 -1.398 -1.221 1.00 0.00 N ATOM 202 CA ILE A 13 -5.567 -2.664 -0.932 1.00 0.00 C ATOM 203 C ILE A 13 -4.148 -2.321 -0.446 1.00 0.00 C ATOM 204 O ILE A 13 -3.605 -3.004 0.402 1.00 0.00 O ATOM 205 CB ILE A 13 -5.522 -3.463 -2.248 1.00 0.00 C ATOM 206 CG1 ILE A 13 -6.959 -3.775 -2.703 1.00 0.00 C ATOM 207 CG2 ILE A 13 -4.758 -4.774 -2.030 1.00 0.00 C ATOM 208 CD1 ILE A 13 -7.102 -3.508 -4.204 1.00 0.00 C ATOM 0 H ILE A 13 -6.573 -1.248 -2.199 1.00 0.00 H new ATOM 0 HA ILE A 13 -6.046 -3.250 -0.148 1.00 0.00 H new ATOM 0 HB ILE A 13 -5.015 -2.875 -3.013 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -7.200 -4.815 -2.486 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -7.667 -3.161 -2.147 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -4.728 -5.337 -2.963 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -3.741 -4.553 -1.707 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -5.261 -5.366 -1.265 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -8.122 -3.731 -4.518 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -6.880 -2.461 -4.410 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -6.406 -4.141 -4.754 1.00 0.00 H new ATOM 220 N VAL A 14 -3.546 -1.263 -0.959 1.00 0.00 N ATOM 221 CA VAL A 14 -2.164 -0.896 -0.485 1.00 0.00 C ATOM 222 C VAL A 14 -2.238 -0.431 0.977 1.00 0.00 C ATOM 223 O VAL A 14 -1.398 -0.785 1.784 1.00 0.00 O ATOM 224 CB VAL A 14 -1.673 0.246 -1.392 1.00 0.00 C ATOM 225 CG1 VAL A 14 -0.266 0.675 -0.969 1.00 0.00 C ATOM 226 CG2 VAL A 14 -1.642 -0.237 -2.844 1.00 0.00 C ATOM 0 H VAL A 14 -3.943 -0.650 -1.671 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.480 -1.743 -0.536 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.351 1.095 -1.301 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.077 1.484 -1.614 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.286 1.019 0.065 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.414 -0.172 -1.056 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.294 0.570 -3.489 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.965 -1.087 -2.930 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -2.644 -0.539 -3.149 1.00 0.00 H new ATOM 236 N ALA A 15 -3.241 0.352 1.333 1.00 0.00 N ATOM 237 CA ALA A 15 -3.351 0.814 2.763 1.00 0.00 C ATOM 238 C ALA A 15 -3.497 -0.400 3.699 1.00 0.00 C ATOM 239 O ALA A 15 -2.987 -0.394 4.802 1.00 0.00 O ATOM 240 CB ALA A 15 -4.603 1.701 2.850 1.00 0.00 C ATOM 0 H ALA A 15 -3.975 0.685 0.707 1.00 0.00 H new ATOM 0 HA ALA A 15 -2.461 1.365 3.066 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.724 2.060 3.872 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.494 2.551 2.177 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.480 1.121 2.563 1.00 0.00 H new ATOM 246 N GLU A 16 -4.187 -1.444 3.272 1.00 0.00 N ATOM 247 CA GLU A 16 -4.351 -2.654 4.161 1.00 0.00 C ATOM 248 C GLU A 16 -2.978 -3.178 4.617 1.00 0.00 C ATOM 249 O GLU A 16 -2.824 -3.614 5.742 1.00 0.00 O ATOM 250 CB GLU A 16 -5.063 -3.725 3.321 1.00 0.00 C ATOM 251 CG GLU A 16 -5.432 -4.915 4.209 1.00 0.00 C ATOM 252 CD GLU A 16 -5.367 -6.205 3.392 1.00 0.00 C ATOM 253 OE1 GLU A 16 -6.188 -6.363 2.503 1.00 0.00 O ATOM 254 OE2 GLU A 16 -4.498 -7.015 3.668 1.00 0.00 O ATOM 0 H GLU A 16 -4.638 -1.511 2.359 1.00 0.00 H new ATOM 0 HA GLU A 16 -4.923 -2.402 5.054 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -5.961 -3.307 2.866 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.416 -4.053 2.507 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.749 -4.975 5.056 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -6.434 -4.781 4.616 1.00 0.00 H new ATOM 261 N LYS A 17 -1.978 -3.133 3.758 1.00 0.00 N ATOM 262 CA LYS A 17 -0.621 -3.633 4.176 1.00 0.00 C ATOM 263 C LYS A 17 0.101 -2.553 4.995 1.00 0.00 C ATOM 264 O LYS A 17 0.735 -2.852 5.990 1.00 0.00 O ATOM 265 CB LYS A 17 0.157 -3.938 2.883 1.00 0.00 C ATOM 266 CG LYS A 17 0.906 -5.265 3.033 1.00 0.00 C ATOM 267 CD LYS A 17 2.183 -5.047 3.853 1.00 0.00 C ATOM 268 CE LYS A 17 1.942 -5.471 5.304 1.00 0.00 C ATOM 269 NZ LYS A 17 1.999 -6.960 5.284 1.00 0.00 N ATOM 0 H LYS A 17 -2.040 -2.779 2.804 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.700 -4.525 4.798 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -0.529 -3.990 2.038 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.861 -3.133 2.672 1.00 0.00 H new ATOM 0 HG2 LYS A 17 0.268 -6.000 3.524 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.157 -5.665 2.051 1.00 0.00 H new ATOM 0 HD2 LYS A 17 3.004 -5.624 3.427 1.00 0.00 H new ATOM 0 HD3 LYS A 17 2.477 -3.998 3.814 1.00 0.00 H new ATOM 0 HE2 LYS A 17 2.700 -5.056 5.968 1.00 0.00 H new ATOM 0 HE3 LYS A 17 0.976 -5.118 5.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 2.299 -7.308 6.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 1.058 -7.340 5.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 2.680 -7.272 4.563 1.00 0.00 H new ATOM 283 N LEU A 18 0.001 -1.299 4.599 1.00 0.00 N ATOM 284 CA LEU A 18 0.684 -0.216 5.392 1.00 0.00 C ATOM 285 C LEU A 18 0.029 -0.119 6.773 1.00 0.00 C ATOM 286 O LEU A 18 0.687 -0.257 7.787 1.00 0.00 O ATOM 287 CB LEU A 18 0.482 1.090 4.618 1.00 0.00 C ATOM 288 CG LEU A 18 1.217 1.008 3.287 1.00 0.00 C ATOM 289 CD1 LEU A 18 0.485 1.863 2.251 1.00 0.00 C ATOM 290 CD2 LEU A 18 2.644 1.525 3.469 1.00 0.00 C ATOM 0 H LEU A 18 -0.514 -0.983 3.777 1.00 0.00 H new ATOM 0 HA LEU A 18 1.746 -0.422 5.528 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.581 1.265 4.449 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.855 1.932 5.201 1.00 0.00 H new ATOM 0 HG LEU A 18 1.247 -0.026 2.943 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.009 1.806 1.297 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.533 1.494 2.128 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.457 2.899 2.589 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.175 1.469 2.519 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.615 2.561 3.808 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.160 0.915 4.210 1.00 0.00 H new ATOM 302 N ALA A 19 -1.271 0.103 6.824 1.00 0.00 N ATOM 303 CA ALA A 19 -1.963 0.187 8.163 1.00 0.00 C ATOM 304 C ALA A 19 -1.710 -1.101 8.974 1.00 0.00 C ATOM 305 O ALA A 19 -1.676 -1.069 10.190 1.00 0.00 O ATOM 306 CB ALA A 19 -3.469 0.332 7.882 1.00 0.00 C ATOM 0 H ALA A 19 -1.875 0.228 6.012 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.585 1.031 8.740 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -4.011 0.396 8.826 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.645 1.237 7.300 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.820 -0.534 7.321 1.00 0.00 H new ATOM 312 N GLY A 20 -1.536 -2.236 8.316 1.00 0.00 N ATOM 313 CA GLY A 20 -1.295 -3.507 9.061 1.00 0.00 C ATOM 314 C GLY A 20 0.118 -3.514 9.668 1.00 0.00 C ATOM 315 O GLY A 20 0.321 -4.037 10.747 1.00 0.00 O ATOM 0 H GLY A 20 -1.552 -2.326 7.300 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.037 -3.619 9.851 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -1.413 -4.357 8.390 1.00 0.00 H new ATOM 319 N ILE A 21 1.105 -2.948 8.992 1.00 0.00 N ATOM 320 CA ILE A 21 2.503 -2.952 9.570 1.00 0.00 C ATOM 321 C ILE A 21 2.490 -2.318 10.983 1.00 0.00 C ATOM 322 O ILE A 21 1.913 -1.266 11.171 1.00 0.00 O ATOM 323 CB ILE A 21 3.379 -2.127 8.600 1.00 0.00 C ATOM 324 CG1 ILE A 21 3.491 -2.873 7.265 1.00 0.00 C ATOM 325 CG2 ILE A 21 4.786 -1.938 9.180 1.00 0.00 C ATOM 326 CD1 ILE A 21 3.676 -1.870 6.122 1.00 0.00 C ATOM 0 H ILE A 21 1.008 -2.493 8.084 1.00 0.00 H new ATOM 0 HA ILE A 21 2.894 -3.964 9.674 1.00 0.00 H new ATOM 0 HB ILE A 21 2.918 -1.150 8.453 1.00 0.00 H new ATOM 0 HG12 ILE A 21 4.333 -3.564 7.294 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.595 -3.470 7.095 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.391 -1.355 8.485 1.00 0.00 H new ATOM 0 HG22 ILE A 21 4.719 -1.412 10.132 1.00 0.00 H new ATOM 0 HG23 ILE A 21 5.249 -2.912 9.335 1.00 0.00 H new ATOM 0 HD11 ILE A 21 3.755 -2.406 5.176 1.00 0.00 H new ATOM 0 HD12 ILE A 21 2.820 -1.197 6.087 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.585 -1.292 6.288 1.00 0.00 H new ATOM 338 N PRO A 22 3.119 -2.982 11.939 1.00 0.00 N ATOM 339 CA PRO A 22 3.149 -2.453 13.330 1.00 0.00 C ATOM 340 C PRO A 22 4.043 -1.203 13.453 1.00 0.00 C ATOM 341 O PRO A 22 3.830 -0.381 14.325 1.00 0.00 O ATOM 342 CB PRO A 22 3.723 -3.609 14.145 1.00 0.00 C ATOM 343 CG PRO A 22 4.518 -4.411 13.168 1.00 0.00 C ATOM 344 CD PRO A 22 3.849 -4.258 11.830 1.00 0.00 C ATOM 0 HA PRO A 22 2.163 -2.135 13.668 1.00 0.00 H new ATOM 0 HB2 PRO A 22 4.349 -3.245 14.960 1.00 0.00 H new ATOM 0 HB3 PRO A 22 2.930 -4.207 14.595 1.00 0.00 H new ATOM 0 HG2 PRO A 22 5.549 -4.058 13.127 1.00 0.00 H new ATOM 0 HG3 PRO A 22 4.551 -5.459 13.465 1.00 0.00 H new ATOM 0 HD2 PRO A 22 4.578 -4.233 11.020 1.00 0.00 H new ATOM 0 HD3 PRO A 22 3.173 -5.088 11.625 1.00 0.00 H new ATOM 415 N ASP A 27 2.501 8.908 8.391 1.00 0.00 N ATOM 416 CA ASP A 27 2.664 8.841 6.902 1.00 0.00 C ATOM 417 C ASP A 27 2.212 7.467 6.369 1.00 0.00 C ATOM 418 O ASP A 27 2.867 6.881 5.534 1.00 0.00 O ATOM 419 CB ASP A 27 4.162 9.063 6.638 1.00 0.00 C ATOM 420 CG ASP A 27 4.363 10.339 5.815 1.00 0.00 C ATOM 421 OD1 ASP A 27 4.174 10.278 4.611 1.00 0.00 O ATOM 422 OD2 ASP A 27 4.701 11.353 6.402 1.00 0.00 O ATOM 0 HA ASP A 27 2.054 9.589 6.395 1.00 0.00 H new ATOM 0 HB2 ASP A 27 4.699 9.141 7.583 1.00 0.00 H new ATOM 0 HB3 ASP A 27 4.577 8.207 6.105 1.00 0.00 H new ATOM 427 N ILE A 28 1.096 6.953 6.842 1.00 0.00 N ATOM 428 CA ILE A 28 0.613 5.620 6.344 1.00 0.00 C ATOM 429 C ILE A 28 -0.456 5.799 5.245 1.00 0.00 C ATOM 430 O ILE A 28 -0.564 4.975 4.356 1.00 0.00 O ATOM 431 CB ILE A 28 0.074 4.876 7.592 1.00 0.00 C ATOM 432 CG1 ILE A 28 -0.156 3.384 7.273 1.00 0.00 C ATOM 433 CG2 ILE A 28 -1.223 5.516 8.106 1.00 0.00 C ATOM 434 CD1 ILE A 28 -1.327 3.186 6.294 1.00 0.00 C ATOM 0 H ILE A 28 0.504 7.395 7.545 1.00 0.00 H new ATOM 0 HA ILE A 28 1.408 5.041 5.874 1.00 0.00 H new ATOM 0 HB ILE A 28 0.824 4.957 8.378 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.752 2.959 6.845 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.358 2.841 8.196 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.575 4.971 8.982 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.034 6.555 8.377 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.982 5.477 7.325 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.458 2.123 6.094 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.240 3.588 6.733 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -1.113 3.707 5.361 1.00 0.00 H new ATOM 446 N LYS A 29 -1.224 6.868 5.268 1.00 0.00 N ATOM 447 CA LYS A 29 -2.235 7.071 4.178 1.00 0.00 C ATOM 448 C LYS A 29 -1.556 7.792 3.004 1.00 0.00 C ATOM 449 O LYS A 29 -1.840 7.508 1.856 1.00 0.00 O ATOM 450 CB LYS A 29 -3.363 7.928 4.771 1.00 0.00 C ATOM 451 CG LYS A 29 -4.331 7.033 5.548 1.00 0.00 C ATOM 452 CD LYS A 29 -5.751 7.587 5.423 1.00 0.00 C ATOM 453 CE LYS A 29 -6.298 7.283 4.026 1.00 0.00 C ATOM 454 NZ LYS A 29 -7.724 6.909 4.245 1.00 0.00 N ATOM 0 H LYS A 29 -1.195 7.596 5.982 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.638 6.128 3.810 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -2.947 8.690 5.430 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.894 8.451 3.975 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -4.291 6.015 5.161 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -4.038 6.987 6.597 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.394 7.141 6.182 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.750 8.663 5.598 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -6.213 8.150 3.371 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -5.745 6.471 3.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.169 6.686 3.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.773 6.077 4.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.227 7.703 4.690 1.00 0.00 H new ATOM 468 N TYR A 30 -0.640 8.706 3.277 1.00 0.00 N ATOM 469 CA TYR A 30 0.066 9.405 2.151 1.00 0.00 C ATOM 470 C TYR A 30 1.083 8.454 1.494 1.00 0.00 C ATOM 471 O TYR A 30 1.357 8.573 0.314 1.00 0.00 O ATOM 472 CB TYR A 30 0.785 10.619 2.761 1.00 0.00 C ATOM 473 CG TYR A 30 -0.238 11.611 3.260 1.00 0.00 C ATOM 474 CD1 TYR A 30 -0.793 12.547 2.379 1.00 0.00 C ATOM 475 CD2 TYR A 30 -0.631 11.595 4.604 1.00 0.00 C ATOM 476 CE1 TYR A 30 -1.741 13.467 2.841 1.00 0.00 C ATOM 477 CE2 TYR A 30 -1.578 12.515 5.066 1.00 0.00 C ATOM 478 CZ TYR A 30 -2.134 13.451 4.184 1.00 0.00 C ATOM 479 OH TYR A 30 -3.069 14.359 4.640 1.00 0.00 O ATOM 0 H TYR A 30 -0.358 8.991 4.215 1.00 0.00 H new ATOM 0 HA TYR A 30 -0.638 9.719 1.381 1.00 0.00 H new ATOM 0 HB2 TYR A 30 1.428 10.300 3.581 1.00 0.00 H new ATOM 0 HB3 TYR A 30 1.428 11.087 2.015 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -0.489 12.559 1.343 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -0.203 10.873 5.283 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -2.169 14.189 2.161 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -1.881 12.504 6.103 1.00 0.00 H new ATOM 0 HH TYR A 30 -3.230 14.211 5.595 1.00 0.00 H new ATOM 489 N VAL A 31 1.642 7.506 2.232 1.00 0.00 N ATOM 490 CA VAL A 31 2.630 6.567 1.592 1.00 0.00 C ATOM 491 C VAL A 31 1.900 5.613 0.627 1.00 0.00 C ATOM 492 O VAL A 31 2.419 5.281 -0.422 1.00 0.00 O ATOM 493 CB VAL A 31 3.339 5.802 2.740 1.00 0.00 C ATOM 494 CG1 VAL A 31 2.400 4.764 3.367 1.00 0.00 C ATOM 495 CG2 VAL A 31 4.596 5.100 2.194 1.00 0.00 C ATOM 0 H VAL A 31 1.461 7.347 3.223 1.00 0.00 H new ATOM 0 HA VAL A 31 3.370 7.105 0.999 1.00 0.00 H new ATOM 0 HB VAL A 31 3.623 6.520 3.510 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.920 4.241 4.169 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.521 5.266 3.771 1.00 0.00 H new ATOM 0 HG13 VAL A 31 2.091 4.047 2.607 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.093 4.563 3.002 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.309 4.396 1.413 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.277 5.844 1.780 1.00 0.00 H new ATOM 505 N ALA A 32 0.697 5.180 0.959 1.00 0.00 N ATOM 506 CA ALA A 32 -0.043 4.257 0.022 1.00 0.00 C ATOM 507 C ALA A 32 -0.355 4.995 -1.288 1.00 0.00 C ATOM 508 O ALA A 32 -0.253 4.427 -2.358 1.00 0.00 O ATOM 509 CB ALA A 32 -1.346 3.852 0.728 1.00 0.00 C ATOM 0 H ALA A 32 0.204 5.419 1.819 1.00 0.00 H new ATOM 0 HA ALA A 32 0.553 3.377 -0.219 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -1.915 3.182 0.084 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -1.110 3.344 1.663 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.938 4.743 0.938 1.00 0.00 H new ATOM 515 N GLU A 33 -0.725 6.260 -1.218 1.00 0.00 N ATOM 516 CA GLU A 33 -1.029 7.019 -2.486 1.00 0.00 C ATOM 517 C GLU A 33 0.214 7.030 -3.385 1.00 0.00 C ATOM 518 O GLU A 33 0.131 6.752 -4.567 1.00 0.00 O ATOM 519 CB GLU A 33 -1.401 8.452 -2.073 1.00 0.00 C ATOM 520 CG GLU A 33 -2.830 8.471 -1.527 1.00 0.00 C ATOM 521 CD GLU A 33 -3.369 9.902 -1.556 1.00 0.00 C ATOM 522 OE1 GLU A 33 -2.739 10.764 -0.966 1.00 0.00 O ATOM 523 OE2 GLU A 33 -4.404 10.112 -2.168 1.00 0.00 O ATOM 0 H GLU A 33 -0.829 6.792 -0.354 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.845 6.556 -3.041 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.706 8.816 -1.316 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.319 9.122 -2.929 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.467 7.819 -2.124 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.846 8.086 -0.507 1.00 0.00 H new ATOM 530 N TYR A 34 1.370 7.325 -2.829 1.00 0.00 N ATOM 531 CA TYR A 34 2.619 7.319 -3.670 1.00 0.00 C ATOM 532 C TYR A 34 2.875 5.891 -4.170 1.00 0.00 C ATOM 533 O TYR A 34 3.243 5.688 -5.312 1.00 0.00 O ATOM 534 CB TYR A 34 3.769 7.794 -2.763 1.00 0.00 C ATOM 535 CG TYR A 34 5.095 7.769 -3.505 1.00 0.00 C ATOM 536 CD1 TYR A 34 5.176 8.158 -4.855 1.00 0.00 C ATOM 537 CD2 TYR A 34 6.251 7.369 -2.826 1.00 0.00 C ATOM 538 CE1 TYR A 34 6.410 8.146 -5.511 1.00 0.00 C ATOM 539 CE2 TYR A 34 7.482 7.354 -3.486 1.00 0.00 C ATOM 540 CZ TYR A 34 7.563 7.744 -4.828 1.00 0.00 C ATOM 541 OH TYR A 34 8.777 7.740 -5.477 1.00 0.00 O ATOM 0 H TYR A 34 1.504 7.566 -1.847 1.00 0.00 H new ATOM 0 HA TYR A 34 2.530 7.972 -4.538 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.565 8.805 -2.410 1.00 0.00 H new ATOM 0 HB3 TYR A 34 3.829 7.155 -1.882 1.00 0.00 H new ATOM 0 HD1 TYR A 34 4.286 8.465 -5.383 1.00 0.00 H new ATOM 0 HD2 TYR A 34 6.191 7.071 -1.790 1.00 0.00 H new ATOM 0 HE1 TYR A 34 6.474 8.447 -6.546 1.00 0.00 H new ATOM 0 HE2 TYR A 34 8.372 7.041 -2.960 1.00 0.00 H new ATOM 0 HH TYR A 34 8.698 8.231 -6.321 1.00 0.00 H new ATOM 551 N ILE A 35 2.663 4.894 -3.331 1.00 0.00 N ATOM 552 CA ILE A 35 2.876 3.471 -3.787 1.00 0.00 C ATOM 553 C ILE A 35 1.992 3.204 -5.019 1.00 0.00 C ATOM 554 O ILE A 35 2.436 2.618 -5.988 1.00 0.00 O ATOM 555 CB ILE A 35 2.479 2.572 -2.597 1.00 0.00 C ATOM 556 CG1 ILE A 35 3.499 2.762 -1.473 1.00 0.00 C ATOM 557 CG2 ILE A 35 2.466 1.098 -3.014 1.00 0.00 C ATOM 558 CD1 ILE A 35 2.885 2.325 -0.143 1.00 0.00 C ATOM 0 H ILE A 35 2.356 5.000 -2.364 1.00 0.00 H new ATOM 0 HA ILE A 35 3.908 3.273 -4.077 1.00 0.00 H new ATOM 0 HB ILE A 35 1.480 2.851 -2.261 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.396 2.178 -1.680 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.804 3.807 -1.418 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.184 0.481 -2.161 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.746 0.954 -3.820 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.459 0.809 -3.358 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.613 2.461 0.656 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.001 2.928 0.065 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.602 1.274 -0.201 1.00 0.00 H new ATOM 570 N VAL A 36 0.758 3.665 -5.002 1.00 0.00 N ATOM 571 CA VAL A 36 -0.122 3.465 -6.206 1.00 0.00 C ATOM 572 C VAL A 36 0.410 4.337 -7.351 1.00 0.00 C ATOM 573 O VAL A 36 0.456 3.907 -8.488 1.00 0.00 O ATOM 574 CB VAL A 36 -1.543 3.895 -5.803 1.00 0.00 C ATOM 575 CG1 VAL A 36 -2.483 3.773 -7.005 1.00 0.00 C ATOM 576 CG2 VAL A 36 -2.042 2.986 -4.679 1.00 0.00 C ATOM 0 H VAL A 36 0.328 4.162 -4.222 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.130 2.428 -6.540 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.525 4.931 -5.464 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.488 4.079 -6.714 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.128 4.415 -7.811 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.504 2.738 -7.347 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -3.049 3.286 -4.389 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.057 1.953 -5.026 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.376 3.071 -3.820 1.00 0.00 H new ATOM 586 N LEU A 37 0.836 5.554 -7.061 1.00 0.00 N ATOM 587 CA LEU A 37 1.393 6.427 -8.160 1.00 0.00 C ATOM 588 C LEU A 37 2.622 5.730 -8.766 1.00 0.00 C ATOM 589 O LEU A 37 2.798 5.715 -9.969 1.00 0.00 O ATOM 590 CB LEU A 37 1.799 7.772 -7.526 1.00 0.00 C ATOM 591 CG LEU A 37 1.358 8.922 -8.438 1.00 0.00 C ATOM 592 CD1 LEU A 37 0.006 9.460 -7.967 1.00 0.00 C ATOM 593 CD2 LEU A 37 2.398 10.043 -8.382 1.00 0.00 C ATOM 0 H LEU A 37 0.823 5.974 -6.131 1.00 0.00 H new ATOM 0 HA LEU A 37 0.659 6.595 -8.948 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.339 7.876 -6.543 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.878 7.805 -7.378 1.00 0.00 H new ATOM 0 HG LEU A 37 1.267 8.558 -9.461 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.306 10.278 -8.616 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.736 8.663 -8.005 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.096 9.824 -6.943 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.086 10.862 -9.030 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.488 10.405 -7.358 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.362 9.662 -8.718 1.00 0.00 H new ATOM 605 N LEU A 38 3.461 5.124 -7.944 1.00 0.00 N ATOM 606 CA LEU A 38 4.650 4.398 -8.512 1.00 0.00 C ATOM 607 C LEU A 38 4.142 3.179 -9.300 1.00 0.00 C ATOM 608 O LEU A 38 4.616 2.887 -10.380 1.00 0.00 O ATOM 609 CB LEU A 38 5.509 3.936 -7.324 1.00 0.00 C ATOM 610 CG LEU A 38 6.066 5.151 -6.582 1.00 0.00 C ATOM 611 CD1 LEU A 38 6.411 4.755 -5.142 1.00 0.00 C ATOM 612 CD2 LEU A 38 7.328 5.649 -7.293 1.00 0.00 C ATOM 0 H LEU A 38 3.376 5.101 -6.928 1.00 0.00 H new ATOM 0 HA LEU A 38 5.235 5.034 -9.176 1.00 0.00 H new ATOM 0 HB2 LEU A 38 4.910 3.328 -6.646 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.327 3.308 -7.678 1.00 0.00 H new ATOM 0 HG LEU A 38 5.319 5.945 -6.571 1.00 0.00 H new ATOM 0 HD11 LEU A 38 6.808 5.621 -4.612 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.512 4.401 -4.637 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.158 3.961 -5.152 1.00 0.00 H new ATOM 0 HD21 LEU A 38 7.726 6.515 -6.764 1.00 0.00 H new ATOM 0 HD22 LEU A 38 8.076 4.856 -7.304 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.082 5.930 -8.317 1.00 0.00 H new ATOM 624 N ILE A 39 3.169 2.471 -8.762 1.00 0.00 N ATOM 625 CA ILE A 39 2.613 1.268 -9.483 1.00 0.00 C ATOM 626 C ILE A 39 1.892 1.717 -10.769 1.00 0.00 C ATOM 627 O ILE A 39 2.014 1.084 -11.802 1.00 0.00 O ATOM 628 CB ILE A 39 1.617 0.606 -8.494 1.00 0.00 C ATOM 629 CG1 ILE A 39 2.399 -0.020 -7.319 1.00 0.00 C ATOM 630 CG2 ILE A 39 0.762 -0.464 -9.193 1.00 0.00 C ATOM 631 CD1 ILE A 39 3.150 -1.281 -7.771 1.00 0.00 C ATOM 0 H ILE A 39 2.737 2.671 -7.860 1.00 0.00 H new ATOM 0 HA ILE A 39 3.395 0.569 -9.779 1.00 0.00 H new ATOM 0 HB ILE A 39 0.942 1.375 -8.117 1.00 0.00 H new ATOM 0 HG12 ILE A 39 3.107 0.706 -6.920 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.711 -0.271 -6.512 1.00 0.00 H new ATOM 0 HG21 ILE A 39 0.075 -0.908 -8.473 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.193 -0.004 -10.001 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.411 -1.239 -9.601 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.693 -1.704 -6.926 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.437 -2.014 -8.147 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.854 -1.021 -8.562 1.00 0.00 H new ATOM 643 N VAL A 40 1.139 2.795 -10.715 1.00 0.00 N ATOM 644 CA VAL A 40 0.415 3.257 -11.952 1.00 0.00 C ATOM 645 C VAL A 40 1.395 3.890 -12.970 1.00 0.00 C ATOM 646 O VAL A 40 1.119 3.909 -14.154 1.00 0.00 O ATOM 647 CB VAL A 40 -0.677 4.259 -11.484 1.00 0.00 C ATOM 648 CG1 VAL A 40 -0.113 5.677 -11.303 1.00 0.00 C ATOM 649 CG2 VAL A 40 -1.804 4.292 -12.519 1.00 0.00 C ATOM 0 H VAL A 40 0.995 3.368 -9.883 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.046 2.419 -12.474 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.052 3.922 -10.517 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.909 6.346 -10.975 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.679 5.661 -10.554 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.292 6.031 -12.251 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.574 4.993 -12.197 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.404 4.609 -13.482 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.238 3.297 -12.616 1.00 0.00 H new ATOM 659 N ASN A 41 2.529 4.404 -12.528 1.00 0.00 N ATOM 660 CA ASN A 41 3.492 5.018 -13.491 1.00 0.00 C ATOM 661 C ASN A 41 4.869 4.326 -13.429 1.00 0.00 C ATOM 662 O ASN A 41 5.859 4.904 -13.840 1.00 0.00 O ATOM 663 CB ASN A 41 3.621 6.477 -13.048 1.00 0.00 C ATOM 664 CG ASN A 41 2.248 7.161 -13.091 1.00 0.00 C ATOM 665 OD1 ASN A 41 1.757 7.707 -12.004 1.00 0.00 O flip ATOM 666 ND2 ASN A 41 1.612 7.200 -14.126 1.00 0.00 N flip ATOM 0 H ASN A 41 2.820 4.421 -11.551 1.00 0.00 H new ATOM 0 HA ASN A 41 3.141 4.919 -14.518 1.00 0.00 H new ATOM 0 HB2 ASN A 41 4.029 6.525 -12.038 1.00 0.00 H new ATOM 0 HB3 ASN A 41 4.319 7.003 -13.699 1.00 0.00 H new ATOM 0 HD21 ASN A 41 1.990 6.777 -14.973 1.00 0.00 H new ATOM 0 HD22 ASN A 41 0.700 7.656 -14.147 1.00 0.00 H new ATOM 673 N GLY A 42 4.960 3.104 -12.928 1.00 0.00 N ATOM 674 CA GLY A 42 6.297 2.431 -12.867 1.00 0.00 C ATOM 675 C GLY A 42 6.206 1.157 -12.016 1.00 0.00 C ATOM 676 O GLY A 42 6.772 1.088 -10.942 1.00 0.00 O ATOM 0 H GLY A 42 4.177 2.558 -12.567 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.634 2.183 -13.873 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.036 3.110 -12.442 1.00 0.00 H new ATOM 680 N GLY A 43 5.489 0.154 -12.482 1.00 0.00 N ATOM 681 CA GLY A 43 5.361 -1.105 -11.693 1.00 0.00 C ATOM 682 C GLY A 43 6.715 -1.833 -11.648 1.00 0.00 C ATOM 683 O GLY A 43 6.895 -2.857 -12.278 1.00 0.00 O ATOM 0 H GLY A 43 4.991 0.160 -13.372 1.00 0.00 H new ATOM 0 HA2 GLY A 43 5.026 -0.878 -10.681 1.00 0.00 H new ATOM 0 HA3 GLY A 43 4.606 -1.750 -12.141 1.00 0.00 H new ATOM 687 N THR A 44 7.660 -1.317 -10.895 1.00 0.00 N ATOM 688 CA THR A 44 8.991 -1.971 -10.787 1.00 0.00 C ATOM 689 C THR A 44 9.374 -2.051 -9.303 1.00 0.00 C ATOM 690 O THR A 44 9.596 -1.037 -8.670 1.00 0.00 O ATOM 691 CB THR A 44 9.942 -1.042 -11.546 1.00 0.00 C ATOM 692 OG1 THR A 44 9.529 0.309 -11.362 1.00 0.00 O ATOM 693 CG2 THR A 44 9.910 -1.382 -13.036 1.00 0.00 C ATOM 0 H THR A 44 7.558 -0.462 -10.348 1.00 0.00 H new ATOM 0 HA THR A 44 9.016 -2.983 -11.192 1.00 0.00 H new ATOM 0 HB THR A 44 10.955 -1.171 -11.166 1.00 0.00 H new ATOM 0 HG1 THR A 44 10.034 0.891 -11.968 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.588 -0.720 -13.575 1.00 0.00 H new ATOM 0 HG22 THR A 44 10.223 -2.416 -13.180 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.897 -1.253 -13.417 1.00 0.00 H new ATOM 701 N VAL A 45 9.430 -3.237 -8.727 1.00 0.00 N ATOM 702 CA VAL A 45 9.775 -3.336 -7.259 1.00 0.00 C ATOM 703 C VAL A 45 11.094 -2.600 -6.954 1.00 0.00 C ATOM 704 O VAL A 45 11.229 -1.985 -5.914 1.00 0.00 O ATOM 705 CB VAL A 45 9.902 -4.838 -6.922 1.00 0.00 C ATOM 706 CG1 VAL A 45 10.314 -5.007 -5.454 1.00 0.00 C ATOM 707 CG2 VAL A 45 8.551 -5.525 -7.130 1.00 0.00 C ATOM 0 H VAL A 45 9.256 -4.125 -9.197 1.00 0.00 H new ATOM 0 HA VAL A 45 9.000 -2.867 -6.653 1.00 0.00 H new ATOM 0 HB VAL A 45 10.654 -5.284 -7.573 1.00 0.00 H new ATOM 0 HG11 VAL A 45 10.402 -6.068 -5.221 1.00 0.00 H new ATOM 0 HG12 VAL A 45 11.273 -4.518 -5.287 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.559 -4.556 -4.810 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.641 -6.585 -6.892 1.00 0.00 H new ATOM 0 HG22 VAL A 45 7.807 -5.069 -6.478 1.00 0.00 H new ATOM 0 HG23 VAL A 45 8.241 -5.412 -8.169 1.00 0.00 H new ATOM 717 N GLU A 46 12.065 -2.656 -7.839 1.00 0.00 N ATOM 718 CA GLU A 46 13.363 -1.948 -7.553 1.00 0.00 C ATOM 719 C GLU A 46 13.136 -0.432 -7.533 1.00 0.00 C ATOM 720 O GLU A 46 13.486 0.231 -6.573 1.00 0.00 O ATOM 721 CB GLU A 46 14.343 -2.331 -8.673 1.00 0.00 C ATOM 722 CG GLU A 46 14.717 -3.808 -8.541 1.00 0.00 C ATOM 723 CD GLU A 46 15.591 -4.005 -7.300 1.00 0.00 C ATOM 724 OE1 GLU A 46 16.575 -3.296 -7.175 1.00 0.00 O ATOM 725 OE2 GLU A 46 15.258 -4.861 -6.497 1.00 0.00 O ATOM 0 H GLU A 46 12.020 -3.150 -8.730 1.00 0.00 H new ATOM 0 HA GLU A 46 13.763 -2.237 -6.581 1.00 0.00 H new ATOM 0 HB2 GLU A 46 13.890 -2.145 -9.647 1.00 0.00 H new ATOM 0 HB3 GLU A 46 15.238 -1.712 -8.615 1.00 0.00 H new ATOM 0 HG2 GLU A 46 13.816 -4.417 -8.465 1.00 0.00 H new ATOM 0 HG3 GLU A 46 15.251 -4.140 -9.431 1.00 0.00 H new ATOM 732 N SER A 47 12.540 0.125 -8.567 1.00 0.00 N ATOM 733 CA SER A 47 12.290 1.610 -8.553 1.00 0.00 C ATOM 734 C SER A 47 11.214 1.938 -7.505 1.00 0.00 C ATOM 735 O SER A 47 11.280 2.964 -6.854 1.00 0.00 O ATOM 736 CB SER A 47 11.821 2.019 -9.961 1.00 0.00 C ATOM 737 OG SER A 47 12.620 3.103 -10.420 1.00 0.00 O ATOM 0 H SER A 47 12.222 -0.369 -9.401 1.00 0.00 H new ATOM 0 HA SER A 47 13.195 2.158 -8.291 1.00 0.00 H new ATOM 0 HB2 SER A 47 11.904 1.175 -10.645 1.00 0.00 H new ATOM 0 HB3 SER A 47 10.771 2.309 -9.938 1.00 0.00 H new ATOM 0 HG SER A 47 12.328 3.368 -11.317 1.00 0.00 H new ATOM 743 N VAL A 48 10.231 1.075 -7.320 1.00 0.00 N ATOM 744 CA VAL A 48 9.176 1.368 -6.287 1.00 0.00 C ATOM 745 C VAL A 48 9.765 1.194 -4.882 1.00 0.00 C ATOM 746 O VAL A 48 9.469 1.969 -3.991 1.00 0.00 O ATOM 747 CB VAL A 48 8.018 0.375 -6.519 1.00 0.00 C ATOM 748 CG1 VAL A 48 6.894 0.654 -5.519 1.00 0.00 C ATOM 749 CG2 VAL A 48 7.466 0.535 -7.938 1.00 0.00 C ATOM 0 H VAL A 48 10.116 0.199 -7.829 1.00 0.00 H new ATOM 0 HA VAL A 48 8.816 2.393 -6.373 1.00 0.00 H new ATOM 0 HB VAL A 48 8.394 -0.639 -6.385 1.00 0.00 H new ATOM 0 HG11 VAL A 48 6.077 -0.048 -5.685 1.00 0.00 H new ATOM 0 HG12 VAL A 48 7.273 0.537 -4.504 1.00 0.00 H new ATOM 0 HG13 VAL A 48 6.530 1.672 -5.655 1.00 0.00 H new ATOM 0 HG21 VAL A 48 6.649 -0.170 -8.092 1.00 0.00 H new ATOM 0 HG22 VAL A 48 7.098 1.552 -8.073 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.258 0.337 -8.661 1.00 0.00 H new ATOM 759 N VAL A 49 10.618 0.210 -4.672 1.00 0.00 N ATOM 760 CA VAL A 49 11.230 0.051 -3.308 1.00 0.00 C ATOM 761 C VAL A 49 12.344 1.098 -3.146 1.00 0.00 C ATOM 762 O VAL A 49 12.499 1.682 -2.091 1.00 0.00 O ATOM 763 CB VAL A 49 11.789 -1.385 -3.230 1.00 0.00 C ATOM 764 CG1 VAL A 49 12.558 -1.581 -1.919 1.00 0.00 C ATOM 765 CG2 VAL A 49 10.627 -2.381 -3.279 1.00 0.00 C ATOM 0 H VAL A 49 10.911 -0.474 -5.369 1.00 0.00 H new ATOM 0 HA VAL A 49 10.506 0.204 -2.508 1.00 0.00 H new ATOM 0 HB VAL A 49 12.463 -1.551 -4.071 1.00 0.00 H new ATOM 0 HG11 VAL A 49 12.948 -2.598 -1.875 1.00 0.00 H new ATOM 0 HG12 VAL A 49 13.385 -0.873 -1.873 1.00 0.00 H new ATOM 0 HG13 VAL A 49 11.888 -1.412 -1.076 1.00 0.00 H new ATOM 0 HG21 VAL A 49 11.017 -3.398 -3.224 1.00 0.00 H new ATOM 0 HG22 VAL A 49 9.959 -2.202 -2.436 1.00 0.00 H new ATOM 0 HG23 VAL A 49 10.077 -2.253 -4.211 1.00 0.00 H new ATOM 775 N ASP A 50 13.109 1.358 -4.191 1.00 0.00 N ATOM 776 CA ASP A 50 14.193 2.394 -4.076 1.00 0.00 C ATOM 777 C ASP A 50 13.561 3.765 -3.811 1.00 0.00 C ATOM 778 O ASP A 50 14.058 4.531 -3.006 1.00 0.00 O ATOM 779 CB ASP A 50 14.950 2.404 -5.415 1.00 0.00 C ATOM 780 CG ASP A 50 16.215 3.255 -5.280 1.00 0.00 C ATOM 781 OD1 ASP A 50 16.127 4.324 -4.700 1.00 0.00 O ATOM 782 OD2 ASP A 50 17.250 2.822 -5.761 1.00 0.00 O ATOM 0 H ASP A 50 13.030 0.905 -5.102 1.00 0.00 H new ATOM 0 HA ASP A 50 14.873 2.169 -3.255 1.00 0.00 H new ATOM 0 HB2 ASP A 50 15.213 1.386 -5.704 1.00 0.00 H new ATOM 0 HB3 ASP A 50 14.312 2.804 -6.203 1.00 0.00 H new ATOM 787 N GLU A 51 12.457 4.082 -4.465 1.00 0.00 N ATOM 788 CA GLU A 51 11.805 5.413 -4.205 1.00 0.00 C ATOM 789 C GLU A 51 11.231 5.424 -2.781 1.00 0.00 C ATOM 790 O GLU A 51 11.356 6.399 -2.065 1.00 0.00 O ATOM 791 CB GLU A 51 10.673 5.578 -5.236 1.00 0.00 C ATOM 792 CG GLU A 51 11.157 6.463 -6.386 1.00 0.00 C ATOM 793 CD GLU A 51 11.678 5.585 -7.526 1.00 0.00 C ATOM 794 OE1 GLU A 51 12.806 5.131 -7.429 1.00 0.00 O ATOM 795 OE2 GLU A 51 10.940 5.383 -8.477 1.00 0.00 O ATOM 0 H GLU A 51 11.990 3.490 -5.152 1.00 0.00 H new ATOM 0 HA GLU A 51 12.521 6.230 -4.295 1.00 0.00 H new ATOM 0 HB2 GLU A 51 10.368 4.603 -5.616 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.798 6.024 -4.763 1.00 0.00 H new ATOM 0 HG2 GLU A 51 10.341 7.092 -6.742 1.00 0.00 H new ATOM 0 HG3 GLU A 51 11.946 7.130 -6.038 1.00 0.00 H new ATOM 802 N LEU A 52 10.612 4.340 -2.364 1.00 0.00 N ATOM 803 CA LEU A 52 10.038 4.296 -0.969 1.00 0.00 C ATOM 804 C LEU A 52 11.160 4.444 0.069 1.00 0.00 C ATOM 805 O LEU A 52 10.974 5.078 1.088 1.00 0.00 O ATOM 806 CB LEU A 52 9.343 2.924 -0.805 1.00 0.00 C ATOM 807 CG LEU A 52 7.813 3.076 -0.828 1.00 0.00 C ATOM 808 CD1 LEU A 52 7.364 3.862 -2.069 1.00 0.00 C ATOM 809 CD2 LEU A 52 7.181 1.681 -0.856 1.00 0.00 C ATOM 0 H LEU A 52 10.479 3.494 -2.918 1.00 0.00 H new ATOM 0 HA LEU A 52 9.330 5.111 -0.817 1.00 0.00 H new ATOM 0 HB2 LEU A 52 9.658 2.255 -1.606 1.00 0.00 H new ATOM 0 HB3 LEU A 52 9.653 2.465 0.134 1.00 0.00 H new ATOM 0 HG LEU A 52 7.495 3.621 0.061 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.278 3.958 -2.066 1.00 0.00 H new ATOM 0 HD12 LEU A 52 7.816 4.854 -2.055 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.679 3.333 -2.968 1.00 0.00 H new ATOM 0 HD21 LEU A 52 6.095 1.774 -0.872 1.00 0.00 H new ATOM 0 HD22 LEU A 52 7.513 1.149 -1.747 1.00 0.00 H new ATOM 0 HD23 LEU A 52 7.484 1.126 0.032 1.00 0.00 H new ATOM 821 N ALA A 53 12.320 3.872 -0.174 1.00 0.00 N ATOM 822 CA ALA A 53 13.436 4.010 0.831 1.00 0.00 C ATOM 823 C ALA A 53 13.960 5.455 0.834 1.00 0.00 C ATOM 824 O ALA A 53 14.273 5.999 1.877 1.00 0.00 O ATOM 825 CB ALA A 53 14.546 3.039 0.401 1.00 0.00 C ATOM 0 H ALA A 53 12.543 3.326 -1.006 1.00 0.00 H new ATOM 0 HA ALA A 53 13.091 3.779 1.839 1.00 0.00 H new ATOM 0 HB1 ALA A 53 15.378 3.104 1.102 1.00 0.00 H new ATOM 0 HB2 ALA A 53 14.156 2.021 0.394 1.00 0.00 H new ATOM 0 HB3 ALA A 53 14.892 3.302 -0.599 1.00 0.00 H new ATOM 831 N SER A 54 14.052 6.085 -0.319 1.00 0.00 N ATOM 832 CA SER A 54 14.556 7.507 -0.356 1.00 0.00 C ATOM 833 C SER A 54 13.574 8.445 0.368 1.00 0.00 C ATOM 834 O SER A 54 13.986 9.398 1.004 1.00 0.00 O ATOM 835 CB SER A 54 14.668 7.901 -1.836 1.00 0.00 C ATOM 836 OG SER A 54 15.641 7.080 -2.468 1.00 0.00 O ATOM 0 H SER A 54 13.805 5.686 -1.224 1.00 0.00 H new ATOM 0 HA SER A 54 15.520 7.589 0.147 1.00 0.00 H new ATOM 0 HB2 SER A 54 13.703 7.786 -2.329 1.00 0.00 H new ATOM 0 HB3 SER A 54 14.948 8.951 -1.925 1.00 0.00 H new ATOM 0 HG SER A 54 15.247 6.208 -2.678 1.00 0.00 H new ATOM 842 N LEU A 55 12.283 8.188 0.287 1.00 0.00 N ATOM 843 CA LEU A 55 11.299 9.082 0.989 1.00 0.00 C ATOM 844 C LEU A 55 10.955 8.515 2.376 1.00 0.00 C ATOM 845 O LEU A 55 10.769 9.257 3.321 1.00 0.00 O ATOM 846 CB LEU A 55 10.047 9.119 0.101 1.00 0.00 C ATOM 847 CG LEU A 55 10.357 9.874 -1.191 1.00 0.00 C ATOM 848 CD1 LEU A 55 9.457 9.353 -2.314 1.00 0.00 C ATOM 849 CD2 LEU A 55 10.097 11.367 -0.982 1.00 0.00 C ATOM 0 H LEU A 55 11.874 7.408 -0.228 1.00 0.00 H new ATOM 0 HA LEU A 55 11.708 10.081 1.141 1.00 0.00 H new ATOM 0 HB2 LEU A 55 9.721 8.104 -0.128 1.00 0.00 H new ATOM 0 HB3 LEU A 55 9.228 9.605 0.630 1.00 0.00 H new ATOM 0 HG LEU A 55 11.402 9.720 -1.461 1.00 0.00 H new ATOM 0 HD11 LEU A 55 9.677 9.891 -3.236 1.00 0.00 H new ATOM 0 HD12 LEU A 55 9.639 8.289 -2.462 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.412 9.508 -2.044 1.00 0.00 H new ATOM 0 HD21 LEU A 55 10.318 11.907 -1.903 1.00 0.00 H new ATOM 0 HD22 LEU A 55 9.052 11.520 -0.713 1.00 0.00 H new ATOM 0 HD23 LEU A 55 10.736 11.739 -0.181 1.00 0.00 H new ATOM 861 N PHE A 56 10.869 7.208 2.509 1.00 0.00 N ATOM 862 CA PHE A 56 10.541 6.605 3.838 1.00 0.00 C ATOM 863 C PHE A 56 11.794 5.926 4.405 1.00 0.00 C ATOM 864 O PHE A 56 11.877 4.714 4.461 1.00 0.00 O ATOM 865 CB PHE A 56 9.426 5.577 3.572 1.00 0.00 C ATOM 866 CG PHE A 56 8.290 6.238 2.818 1.00 0.00 C ATOM 867 CD1 PHE A 56 7.594 7.306 3.398 1.00 0.00 C ATOM 868 CD2 PHE A 56 7.947 5.795 1.536 1.00 0.00 C ATOM 869 CE1 PHE A 56 6.557 7.930 2.696 1.00 0.00 C ATOM 870 CE2 PHE A 56 6.908 6.417 0.834 1.00 0.00 C ATOM 871 CZ PHE A 56 6.214 7.485 1.413 1.00 0.00 C ATOM 0 H PHE A 56 11.012 6.537 1.754 1.00 0.00 H new ATOM 0 HA PHE A 56 10.213 7.348 4.565 1.00 0.00 H new ATOM 0 HB2 PHE A 56 9.820 4.740 2.995 1.00 0.00 H new ATOM 0 HB3 PHE A 56 9.061 5.170 4.515 1.00 0.00 H new ATOM 0 HD1 PHE A 56 7.858 7.648 4.388 1.00 0.00 H new ATOM 0 HD2 PHE A 56 8.484 4.972 1.088 1.00 0.00 H new ATOM 0 HE1 PHE A 56 6.021 8.754 3.143 1.00 0.00 H new ATOM 0 HE2 PHE A 56 6.642 6.073 -0.154 1.00 0.00 H new ATOM 0 HZ PHE A 56 5.414 7.966 0.871 1.00 0.00 H new ATOM 881 N ASP A 57 12.776 6.703 4.824 1.00 0.00 N ATOM 882 CA ASP A 57 14.031 6.087 5.386 1.00 0.00 C ATOM 883 C ASP A 57 13.878 5.692 6.874 1.00 0.00 C ATOM 884 O ASP A 57 14.819 5.196 7.465 1.00 0.00 O ATOM 885 CB ASP A 57 15.133 7.147 5.236 1.00 0.00 C ATOM 886 CG ASP A 57 16.479 6.456 5.008 1.00 0.00 C ATOM 887 OD1 ASP A 57 16.627 5.816 3.981 1.00 0.00 O ATOM 888 OD2 ASP A 57 17.338 6.577 5.866 1.00 0.00 O ATOM 0 H ASP A 57 12.763 7.723 4.802 1.00 0.00 H new ATOM 0 HA ASP A 57 14.265 5.167 4.850 1.00 0.00 H new ATOM 0 HB2 ASP A 57 14.905 7.808 4.400 1.00 0.00 H new ATOM 0 HB3 ASP A 57 15.178 7.769 6.130 1.00 0.00 H new ATOM 893 N SER A 58 12.720 5.879 7.492 1.00 0.00 N ATOM 894 CA SER A 58 12.580 5.472 8.933 1.00 0.00 C ATOM 895 C SER A 58 11.980 4.053 9.060 1.00 0.00 C ATOM 896 O SER A 58 11.558 3.664 10.134 1.00 0.00 O ATOM 897 CB SER A 58 11.644 6.505 9.573 1.00 0.00 C ATOM 898 OG SER A 58 12.336 7.738 9.722 1.00 0.00 O ATOM 0 H SER A 58 11.887 6.287 7.068 1.00 0.00 H new ATOM 0 HA SER A 58 13.552 5.444 9.426 1.00 0.00 H new ATOM 0 HB2 SER A 58 10.759 6.644 8.952 1.00 0.00 H new ATOM 0 HB3 SER A 58 11.300 6.148 10.544 1.00 0.00 H new ATOM 0 HG SER A 58 11.740 8.401 10.129 1.00 0.00 H new ATOM 904 N VAL A 59 11.942 3.269 7.993 1.00 0.00 N ATOM 905 CA VAL A 59 11.378 1.890 8.098 1.00 0.00 C ATOM 906 C VAL A 59 12.291 0.896 7.357 1.00 0.00 C ATOM 907 O VAL A 59 12.908 1.242 6.366 1.00 0.00 O ATOM 908 CB VAL A 59 9.994 1.972 7.442 1.00 0.00 C ATOM 909 CG1 VAL A 59 10.132 2.398 5.977 1.00 0.00 C ATOM 910 CG2 VAL A 59 9.311 0.603 7.511 1.00 0.00 C ATOM 0 H VAL A 59 12.277 3.531 7.066 1.00 0.00 H new ATOM 0 HA VAL A 59 11.306 1.542 9.128 1.00 0.00 H new ATOM 0 HB VAL A 59 9.392 2.709 7.974 1.00 0.00 H new ATOM 0 HG11 VAL A 59 9.144 2.453 5.520 1.00 0.00 H new ATOM 0 HG12 VAL A 59 10.611 3.376 5.926 1.00 0.00 H new ATOM 0 HG13 VAL A 59 10.739 1.668 5.442 1.00 0.00 H new ATOM 0 HG21 VAL A 59 8.328 0.663 7.044 1.00 0.00 H new ATOM 0 HG22 VAL A 59 9.918 -0.133 6.985 1.00 0.00 H new ATOM 0 HG23 VAL A 59 9.200 0.304 8.553 1.00 0.00 H new ATOM 920 N SER A 60 12.394 -0.329 7.831 1.00 0.00 N ATOM 921 CA SER A 60 13.290 -1.327 7.138 1.00 0.00 C ATOM 922 C SER A 60 12.872 -1.499 5.666 1.00 0.00 C ATOM 923 O SER A 60 11.705 -1.412 5.336 1.00 0.00 O ATOM 924 CB SER A 60 13.130 -2.658 7.887 1.00 0.00 C ATOM 925 OG SER A 60 12.928 -2.398 9.269 1.00 0.00 O ATOM 0 H SER A 60 11.906 -0.680 8.655 1.00 0.00 H new ATOM 0 HA SER A 60 14.326 -0.988 7.148 1.00 0.00 H new ATOM 0 HB2 SER A 60 12.286 -3.216 7.483 1.00 0.00 H new ATOM 0 HB3 SER A 60 14.017 -3.276 7.747 1.00 0.00 H new ATOM 0 HG SER A 60 12.824 -3.246 9.750 1.00 0.00 H new ATOM 931 N ARG A 61 13.819 -1.748 4.778 1.00 0.00 N ATOM 932 CA ARG A 61 13.458 -1.931 3.323 1.00 0.00 C ATOM 933 C ARG A 61 12.420 -3.052 3.169 1.00 0.00 C ATOM 934 O ARG A 61 11.504 -2.946 2.375 1.00 0.00 O ATOM 935 CB ARG A 61 14.754 -2.311 2.589 1.00 0.00 C ATOM 936 CG ARG A 61 15.449 -1.044 2.083 1.00 0.00 C ATOM 937 CD ARG A 61 16.535 -0.623 3.076 1.00 0.00 C ATOM 938 NE ARG A 61 17.555 0.086 2.253 1.00 0.00 N ATOM 939 CZ ARG A 61 18.350 -0.592 1.471 1.00 0.00 C ATOM 940 NH1 ARG A 61 19.380 -1.217 1.970 1.00 0.00 N ATOM 941 NH2 ARG A 61 18.112 -0.646 0.189 1.00 0.00 N ATOM 0 H ARG A 61 14.812 -1.831 4.993 1.00 0.00 H new ATOM 0 HA ARG A 61 13.025 -1.019 2.912 1.00 0.00 H new ATOM 0 HB2 ARG A 61 15.417 -2.858 3.260 1.00 0.00 H new ATOM 0 HB3 ARG A 61 14.529 -2.973 1.753 1.00 0.00 H new ATOM 0 HG2 ARG A 61 15.889 -1.225 1.102 1.00 0.00 H new ATOM 0 HG3 ARG A 61 14.721 -0.241 1.962 1.00 0.00 H new ATOM 0 HD2 ARG A 61 16.131 0.028 3.851 1.00 0.00 H new ATOM 0 HD3 ARG A 61 16.966 -1.488 3.580 1.00 0.00 H new ATOM 0 HE ARG A 61 17.632 1.102 2.301 1.00 0.00 H new ATOM 0 HH11 ARG A 61 19.565 -1.176 2.972 1.00 0.00 H new ATOM 0 HH12 ARG A 61 20.001 -1.747 1.358 1.00 0.00 H new ATOM 0 HH21 ARG A 61 17.305 -0.159 -0.201 1.00 0.00 H new ATOM 0 HH22 ARG A 61 18.733 -1.176 -0.423 1.00 0.00 H new ATOM 955 N ASP A 62 12.551 -4.125 3.923 1.00 0.00 N ATOM 956 CA ASP A 62 11.549 -5.249 3.804 1.00 0.00 C ATOM 957 C ASP A 62 10.123 -4.727 4.061 1.00 0.00 C ATOM 958 O ASP A 62 9.179 -5.177 3.440 1.00 0.00 O ATOM 959 CB ASP A 62 11.931 -6.306 4.859 1.00 0.00 C ATOM 960 CG ASP A 62 11.901 -5.682 6.258 1.00 0.00 C ATOM 961 OD1 ASP A 62 10.823 -5.585 6.820 1.00 0.00 O ATOM 962 OD2 ASP A 62 12.958 -5.314 6.743 1.00 0.00 O ATOM 0 H ASP A 62 13.294 -4.273 4.606 1.00 0.00 H new ATOM 0 HA ASP A 62 11.565 -5.677 2.802 1.00 0.00 H new ATOM 0 HB2 ASP A 62 11.239 -7.147 4.811 1.00 0.00 H new ATOM 0 HB3 ASP A 62 12.925 -6.700 4.648 1.00 0.00 H new ATOM 967 N THR A 63 9.958 -3.778 4.962 1.00 0.00 N ATOM 968 CA THR A 63 8.576 -3.239 5.227 1.00 0.00 C ATOM 969 C THR A 63 8.070 -2.493 3.985 1.00 0.00 C ATOM 970 O THR A 63 6.919 -2.625 3.609 1.00 0.00 O ATOM 971 CB THR A 63 8.696 -2.280 6.427 1.00 0.00 C ATOM 972 OG1 THR A 63 9.131 -3.008 7.571 1.00 0.00 O ATOM 973 CG2 THR A 63 7.336 -1.640 6.721 1.00 0.00 C ATOM 0 H THR A 63 10.705 -3.360 5.516 1.00 0.00 H new ATOM 0 HA THR A 63 7.868 -4.038 5.447 1.00 0.00 H new ATOM 0 HB THR A 63 9.418 -1.498 6.190 1.00 0.00 H new ATOM 0 HG1 THR A 63 9.210 -2.400 8.335 1.00 0.00 H new ATOM 0 HG21 THR A 63 7.428 -0.963 7.571 1.00 0.00 H new ATOM 0 HG22 THR A 63 7.000 -1.082 5.847 1.00 0.00 H new ATOM 0 HG23 THR A 63 6.610 -2.419 6.955 1.00 0.00 H new ATOM 981 N LEU A 64 8.917 -1.723 3.337 1.00 0.00 N ATOM 982 CA LEU A 64 8.453 -0.991 2.106 1.00 0.00 C ATOM 983 C LEU A 64 8.204 -2.015 0.995 1.00 0.00 C ATOM 984 O LEU A 64 7.185 -1.984 0.333 1.00 0.00 O ATOM 985 CB LEU A 64 9.579 -0.026 1.691 1.00 0.00 C ATOM 986 CG LEU A 64 9.967 0.882 2.873 1.00 0.00 C ATOM 987 CD1 LEU A 64 11.495 0.895 3.035 1.00 0.00 C ATOM 988 CD2 LEU A 64 9.466 2.307 2.615 1.00 0.00 C ATOM 0 H LEU A 64 9.891 -1.570 3.599 1.00 0.00 H new ATOM 0 HA LEU A 64 7.533 -0.437 2.292 1.00 0.00 H new ATOM 0 HB2 LEU A 64 10.449 -0.593 1.358 1.00 0.00 H new ATOM 0 HB3 LEU A 64 9.253 0.583 0.848 1.00 0.00 H new ATOM 0 HG LEU A 64 9.510 0.499 3.785 1.00 0.00 H new ATOM 0 HD11 LEU A 64 11.767 1.538 3.872 1.00 0.00 H new ATOM 0 HD12 LEU A 64 11.849 -0.118 3.226 1.00 0.00 H new ATOM 0 HD13 LEU A 64 11.954 1.274 2.122 1.00 0.00 H new ATOM 0 HD21 LEU A 64 9.742 2.947 3.453 1.00 0.00 H new ATOM 0 HD22 LEU A 64 9.918 2.692 1.701 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.381 2.297 2.508 1.00 0.00 H new ATOM 1000 N ALA A 65 9.125 -2.936 0.801 1.00 0.00 N ATOM 1001 CA ALA A 65 8.922 -3.981 -0.267 1.00 0.00 C ATOM 1002 C ALA A 65 7.623 -4.764 -0.005 1.00 0.00 C ATOM 1003 O ALA A 65 6.932 -5.144 -0.932 1.00 0.00 O ATOM 1004 CB ALA A 65 10.131 -4.928 -0.198 1.00 0.00 C ATOM 0 H ALA A 65 9.996 -3.011 1.326 1.00 0.00 H new ATOM 0 HA ALA A 65 8.840 -3.521 -1.252 1.00 0.00 H new ATOM 0 HB1 ALA A 65 10.028 -5.705 -0.956 1.00 0.00 H new ATOM 0 HB2 ALA A 65 11.046 -4.364 -0.378 1.00 0.00 H new ATOM 0 HB3 ALA A 65 10.177 -5.388 0.789 1.00 0.00 H new ATOM 1010 N ASN A 66 7.280 -5.009 1.247 1.00 0.00 N ATOM 1011 CA ASN A 66 6.012 -5.770 1.533 1.00 0.00 C ATOM 1012 C ASN A 66 4.803 -4.991 0.997 1.00 0.00 C ATOM 1013 O ASN A 66 3.943 -5.557 0.348 1.00 0.00 O ATOM 1014 CB ASN A 66 5.913 -5.918 3.061 1.00 0.00 C ATOM 1015 CG ASN A 66 5.157 -7.209 3.403 1.00 0.00 C ATOM 1016 OD1 ASN A 66 4.132 -7.493 2.816 1.00 0.00 O ATOM 1017 ND2 ASN A 66 5.618 -8.011 4.331 1.00 0.00 N ATOM 0 H ASN A 66 7.813 -4.721 2.068 1.00 0.00 H new ATOM 0 HA ASN A 66 6.023 -6.747 1.049 1.00 0.00 H new ATOM 0 HB2 ASN A 66 6.910 -5.941 3.500 1.00 0.00 H new ATOM 0 HB3 ASN A 66 5.397 -5.058 3.488 1.00 0.00 H new ATOM 0 HD21 ASN A 66 5.117 -8.870 4.558 1.00 0.00 H new ATOM 0 HD22 ASN A 66 6.478 -7.777 4.826 1.00 0.00 H new ATOM 1024 N VAL A 67 4.732 -3.697 1.246 1.00 0.00 N ATOM 1025 CA VAL A 67 3.561 -2.910 0.715 1.00 0.00 C ATOM 1026 C VAL A 67 3.660 -2.813 -0.819 1.00 0.00 C ATOM 1027 O VAL A 67 2.659 -2.869 -1.508 1.00 0.00 O ATOM 1028 CB VAL A 67 3.627 -1.516 1.360 1.00 0.00 C ATOM 1029 CG1 VAL A 67 2.446 -0.674 0.873 1.00 0.00 C ATOM 1030 CG2 VAL A 67 3.556 -1.659 2.885 1.00 0.00 C ATOM 0 H VAL A 67 5.416 -3.162 1.781 1.00 0.00 H new ATOM 0 HA VAL A 67 2.613 -3.390 0.956 1.00 0.00 H new ATOM 0 HB VAL A 67 4.561 -1.028 1.082 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.491 0.315 1.329 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.492 -0.575 -0.212 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.512 -1.161 1.154 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.603 -0.672 3.346 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.620 -2.145 3.162 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.395 -2.262 3.233 1.00 0.00 H new ATOM 1040 N VAL A 68 4.854 -2.693 -1.365 1.00 0.00 N ATOM 1041 CA VAL A 68 4.980 -2.631 -2.867 1.00 0.00 C ATOM 1042 C VAL A 68 4.576 -3.995 -3.457 1.00 0.00 C ATOM 1043 O VAL A 68 3.947 -4.056 -4.496 1.00 0.00 O ATOM 1044 CB VAL A 68 6.459 -2.317 -3.171 1.00 0.00 C ATOM 1045 CG1 VAL A 68 6.706 -2.344 -4.681 1.00 0.00 C ATOM 1046 CG2 VAL A 68 6.802 -0.926 -2.632 1.00 0.00 C ATOM 0 H VAL A 68 5.732 -2.636 -0.849 1.00 0.00 H new ATOM 0 HA VAL A 68 4.334 -1.870 -3.304 1.00 0.00 H new ATOM 0 HB VAL A 68 7.086 -3.069 -2.692 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.754 -2.121 -4.882 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.464 -3.332 -5.072 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.076 -1.598 -5.166 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.847 -0.701 -2.845 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.165 -0.183 -3.112 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.638 -0.903 -1.555 1.00 0.00 H new ATOM 1056 N GLN A 69 4.925 -5.093 -2.804 1.00 0.00 N ATOM 1057 CA GLN A 69 4.542 -6.440 -3.357 1.00 0.00 C ATOM 1058 C GLN A 69 3.016 -6.576 -3.413 1.00 0.00 C ATOM 1059 O GLN A 69 2.471 -6.999 -4.415 1.00 0.00 O ATOM 1060 CB GLN A 69 5.134 -7.498 -2.411 1.00 0.00 C ATOM 1061 CG GLN A 69 5.221 -8.842 -3.137 1.00 0.00 C ATOM 1062 CD GLN A 69 5.621 -9.937 -2.141 1.00 0.00 C ATOM 1063 OE1 GLN A 69 5.309 -9.847 -0.971 1.00 0.00 O ATOM 1064 NE2 GLN A 69 6.305 -10.977 -2.552 1.00 0.00 N ATOM 0 H GLN A 69 5.449 -5.112 -1.929 1.00 0.00 H new ATOM 0 HA GLN A 69 4.923 -6.566 -4.370 1.00 0.00 H new ATOM 0 HB2 GLN A 69 6.124 -7.189 -2.077 1.00 0.00 H new ATOM 0 HB3 GLN A 69 4.512 -7.593 -1.521 1.00 0.00 H new ATOM 0 HG2 GLN A 69 4.261 -9.084 -3.593 1.00 0.00 H new ATOM 0 HG3 GLN A 69 5.952 -8.785 -3.944 1.00 0.00 H new ATOM 0 HE21 GLN A 69 6.570 -11.058 -3.534 1.00 0.00 H new ATOM 0 HE22 GLN A 69 6.572 -11.706 -1.890 1.00 0.00 H new ATOM 1073 N THR A 70 2.316 -6.216 -2.355 1.00 0.00 N ATOM 1074 CA THR A 70 0.814 -6.336 -2.394 1.00 0.00 C ATOM 1075 C THR A 70 0.232 -5.416 -3.484 1.00 0.00 C ATOM 1076 O THR A 70 -0.795 -5.725 -4.061 1.00 0.00 O ATOM 1077 CB THR A 70 0.278 -5.957 -1.000 1.00 0.00 C ATOM 1078 OG1 THR A 70 -1.137 -6.092 -0.991 1.00 0.00 O ATOM 1079 CG2 THR A 70 0.651 -4.516 -0.657 1.00 0.00 C ATOM 0 H THR A 70 2.707 -5.853 -1.486 1.00 0.00 H new ATOM 0 HA THR A 70 0.515 -7.355 -2.640 1.00 0.00 H new ATOM 0 HB THR A 70 0.722 -6.620 -0.258 1.00 0.00 H new ATOM 0 HG1 THR A 70 -1.483 -5.853 -0.106 1.00 0.00 H new ATOM 0 HG21 THR A 70 0.264 -4.265 0.331 1.00 0.00 H new ATOM 0 HG22 THR A 70 1.736 -4.411 -0.660 1.00 0.00 H new ATOM 0 HG23 THR A 70 0.219 -3.842 -1.397 1.00 0.00 H new ATOM 1087 N ALA A 71 0.874 -4.301 -3.793 1.00 0.00 N ATOM 1088 CA ALA A 71 0.324 -3.408 -4.873 1.00 0.00 C ATOM 1089 C ALA A 71 0.385 -4.151 -6.217 1.00 0.00 C ATOM 1090 O ALA A 71 -0.541 -4.084 -7.005 1.00 0.00 O ATOM 1091 CB ALA A 71 1.203 -2.146 -4.919 1.00 0.00 C ATOM 0 H ALA A 71 1.736 -3.979 -3.353 1.00 0.00 H new ATOM 0 HA ALA A 71 -0.713 -3.136 -4.674 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.833 -1.473 -5.693 1.00 0.00 H new ATOM 0 HB2 ALA A 71 1.167 -1.642 -3.953 1.00 0.00 H new ATOM 0 HB3 ALA A 71 2.232 -2.427 -5.144 1.00 0.00 H new ATOM 1097 N PHE A 72 1.459 -4.875 -6.483 1.00 0.00 N ATOM 1098 CA PHE A 72 1.539 -5.631 -7.784 1.00 0.00 C ATOM 1099 C PHE A 72 0.452 -6.710 -7.802 1.00 0.00 C ATOM 1100 O PHE A 72 -0.323 -6.796 -8.736 1.00 0.00 O ATOM 1101 CB PHE A 72 2.933 -6.276 -7.843 1.00 0.00 C ATOM 1102 CG PHE A 72 3.947 -5.233 -8.239 1.00 0.00 C ATOM 1103 CD1 PHE A 72 3.994 -4.769 -9.557 1.00 0.00 C ATOM 1104 CD2 PHE A 72 4.837 -4.725 -7.287 1.00 0.00 C ATOM 1105 CE1 PHE A 72 4.930 -3.797 -9.923 1.00 0.00 C ATOM 1106 CE2 PHE A 72 5.774 -3.752 -7.654 1.00 0.00 C ATOM 1107 CZ PHE A 72 5.821 -3.289 -8.968 1.00 0.00 C ATOM 0 H PHE A 72 2.267 -4.973 -5.868 1.00 0.00 H new ATOM 0 HA PHE A 72 1.387 -4.975 -8.641 1.00 0.00 H new ATOM 0 HB2 PHE A 72 3.191 -6.701 -6.873 1.00 0.00 H new ATOM 0 HB3 PHE A 72 2.937 -7.096 -8.562 1.00 0.00 H new ATOM 0 HD1 PHE A 72 3.307 -5.161 -10.292 1.00 0.00 H new ATOM 0 HD2 PHE A 72 4.801 -5.083 -6.269 1.00 0.00 H new ATOM 0 HE1 PHE A 72 4.966 -3.438 -10.941 1.00 0.00 H new ATOM 0 HE2 PHE A 72 6.461 -3.360 -6.919 1.00 0.00 H new ATOM 0 HZ PHE A 72 6.544 -2.538 -9.250 1.00 0.00 H new ATOM 1117 N PHE A 73 0.370 -7.526 -6.766 1.00 0.00 N ATOM 1118 CA PHE A 73 -0.702 -8.584 -6.738 1.00 0.00 C ATOM 1119 C PHE A 73 -2.083 -7.910 -6.794 1.00 0.00 C ATOM 1120 O PHE A 73 -2.984 -8.395 -7.454 1.00 0.00 O ATOM 1121 CB PHE A 73 -0.541 -9.349 -5.414 1.00 0.00 C ATOM 1122 CG PHE A 73 0.435 -10.484 -5.604 1.00 0.00 C ATOM 1123 CD1 PHE A 73 0.155 -11.500 -6.527 1.00 0.00 C ATOM 1124 CD2 PHE A 73 1.620 -10.523 -4.860 1.00 0.00 C ATOM 1125 CE1 PHE A 73 1.059 -12.554 -6.705 1.00 0.00 C ATOM 1126 CE2 PHE A 73 2.524 -11.577 -5.037 1.00 0.00 C ATOM 1127 CZ PHE A 73 2.244 -12.592 -5.959 1.00 0.00 C ATOM 0 H PHE A 73 0.987 -7.506 -5.954 1.00 0.00 H new ATOM 0 HA PHE A 73 -0.616 -9.262 -7.587 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -0.185 -8.676 -4.634 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -1.506 -9.736 -5.086 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -0.759 -11.470 -7.102 1.00 0.00 H new ATOM 0 HD2 PHE A 73 1.837 -9.740 -4.149 1.00 0.00 H new ATOM 0 HE1 PHE A 73 0.843 -13.337 -7.417 1.00 0.00 H new ATOM 0 HE2 PHE A 73 3.438 -11.607 -4.462 1.00 0.00 H new ATOM 0 HZ PHE A 73 2.942 -13.405 -6.095 1.00 0.00 H new ATOM 1137 N ALA A 74 -2.257 -6.787 -6.117 1.00 0.00 N ATOM 1138 CA ALA A 74 -3.593 -6.092 -6.160 1.00 0.00 C ATOM 1139 C ALA A 74 -3.935 -5.709 -7.607 1.00 0.00 C ATOM 1140 O ALA A 74 -5.069 -5.840 -8.030 1.00 0.00 O ATOM 1141 CB ALA A 74 -3.469 -4.830 -5.291 1.00 0.00 C ATOM 0 H ALA A 74 -1.545 -6.331 -5.547 1.00 0.00 H new ATOM 0 HA ALA A 74 -4.386 -6.741 -5.789 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.417 -4.292 -5.293 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.215 -5.115 -4.270 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.687 -4.187 -5.693 1.00 0.00 H new ATOM 1147 N LEU A 75 -2.968 -5.244 -8.376 1.00 0.00 N ATOM 1148 CA LEU A 75 -3.273 -4.867 -9.808 1.00 0.00 C ATOM 1149 C LEU A 75 -3.888 -6.065 -10.551 1.00 0.00 C ATOM 1150 O LEU A 75 -4.802 -5.905 -11.338 1.00 0.00 O ATOM 1151 CB LEU A 75 -1.941 -4.470 -10.471 1.00 0.00 C ATOM 1152 CG LEU A 75 -1.815 -2.946 -10.498 1.00 0.00 C ATOM 1153 CD1 LEU A 75 -0.413 -2.560 -10.972 1.00 0.00 C ATOM 1154 CD2 LEU A 75 -2.855 -2.367 -11.463 1.00 0.00 C ATOM 0 H LEU A 75 -2.000 -5.110 -8.084 1.00 0.00 H new ATOM 0 HA LEU A 75 -3.986 -4.043 -9.844 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.106 -4.904 -9.921 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -1.896 -4.867 -11.485 1.00 0.00 H new ATOM 0 HG LEU A 75 -1.984 -2.548 -9.497 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.322 -1.474 -10.992 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.329 -2.974 -10.289 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.246 -2.956 -11.973 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.767 -1.281 -11.484 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -2.684 -2.764 -12.464 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.855 -2.644 -11.129 1.00 0.00 H new ATOM 1166 N GLU A 76 -3.400 -7.262 -10.303 1.00 0.00 N ATOM 1167 CA GLU A 76 -3.983 -8.462 -11.005 1.00 0.00 C ATOM 1168 C GLU A 76 -5.431 -8.680 -10.546 1.00 0.00 C ATOM 1169 O GLU A 76 -6.294 -8.996 -11.345 1.00 0.00 O ATOM 1170 CB GLU A 76 -3.113 -9.670 -10.621 1.00 0.00 C ATOM 1171 CG GLU A 76 -3.422 -10.840 -11.558 1.00 0.00 C ATOM 1172 CD GLU A 76 -4.579 -11.661 -10.986 1.00 0.00 C ATOM 1173 OE1 GLU A 76 -4.483 -12.064 -9.839 1.00 0.00 O ATOM 1174 OE2 GLU A 76 -5.541 -11.873 -11.706 1.00 0.00 O ATOM 0 H GLU A 76 -2.636 -7.461 -9.657 1.00 0.00 H new ATOM 0 HA GLU A 76 -3.993 -8.322 -12.086 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -2.057 -9.407 -10.687 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -3.306 -9.957 -9.587 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -3.682 -10.467 -12.549 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -2.539 -11.469 -11.675 1.00 0.00 H new ATOM 1181 N ALA A 77 -5.709 -8.509 -9.270 1.00 0.00 N ATOM 1182 CA ALA A 77 -7.122 -8.707 -8.785 1.00 0.00 C ATOM 1183 C ALA A 77 -8.040 -7.653 -9.418 1.00 0.00 C ATOM 1184 O ALA A 77 -9.148 -7.956 -9.818 1.00 0.00 O ATOM 1185 CB ALA A 77 -7.097 -8.543 -7.257 1.00 0.00 C ATOM 0 H ALA A 77 -5.033 -8.246 -8.553 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.500 -9.691 -9.061 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -8.103 -8.679 -6.860 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -6.432 -9.289 -6.822 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.739 -7.545 -7.004 1.00 0.00 H new ATOM 1191 N LEU A 78 -7.589 -6.419 -9.521 1.00 0.00 N ATOM 1192 CA LEU A 78 -8.462 -5.361 -10.148 1.00 0.00 C ATOM 1193 C LEU A 78 -8.779 -5.744 -11.603 1.00 0.00 C ATOM 1194 O LEU A 78 -9.887 -5.548 -12.068 1.00 0.00 O ATOM 1195 CB LEU A 78 -7.672 -4.042 -10.108 1.00 0.00 C ATOM 1196 CG LEU A 78 -8.023 -3.280 -8.830 1.00 0.00 C ATOM 1197 CD1 LEU A 78 -7.005 -2.160 -8.609 1.00 0.00 C ATOM 1198 CD2 LEU A 78 -9.427 -2.678 -8.965 1.00 0.00 C ATOM 0 H LEU A 78 -6.673 -6.101 -9.205 1.00 0.00 H new ATOM 0 HA LEU A 78 -9.405 -5.262 -9.611 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.602 -4.245 -10.141 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -7.909 -3.436 -10.983 1.00 0.00 H new ATOM 0 HG LEU A 78 -8.001 -3.963 -7.980 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -7.255 -1.616 -7.698 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -6.007 -2.589 -8.514 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.027 -1.476 -9.457 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -9.679 -2.134 -8.054 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -9.450 -1.995 -9.814 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -10.152 -3.477 -9.123 1.00 0.00 H new ATOM 1210 N GLN A 79 -7.823 -6.296 -12.327 1.00 0.00 N ATOM 1211 CA GLN A 79 -8.102 -6.690 -13.756 1.00 0.00 C ATOM 1212 C GLN A 79 -9.280 -7.681 -13.828 1.00 0.00 C ATOM 1213 O GLN A 79 -10.015 -7.693 -14.797 1.00 0.00 O ATOM 1214 CB GLN A 79 -6.824 -7.356 -14.291 1.00 0.00 C ATOM 1215 CG GLN A 79 -5.919 -6.293 -14.919 1.00 0.00 C ATOM 1216 CD GLN A 79 -4.451 -6.700 -14.741 1.00 0.00 C ATOM 1217 OE1 GLN A 79 -4.108 -7.852 -14.918 1.00 0.00 O ATOM 1218 NE2 GLN A 79 -3.560 -5.802 -14.395 1.00 0.00 N ATOM 0 H GLN A 79 -6.877 -6.488 -11.998 1.00 0.00 H new ATOM 0 HA GLN A 79 -8.372 -5.816 -14.349 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.299 -7.863 -13.481 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -7.079 -8.115 -15.031 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -6.151 -6.183 -15.978 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -6.098 -5.325 -14.451 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -3.843 -4.834 -14.245 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -2.584 -6.072 -14.276 1.00 0.00 H new ATOM 1227 N GLN A 80 -9.472 -8.511 -12.819 1.00 0.00 N ATOM 1228 CA GLN A 80 -10.616 -9.487 -12.866 1.00 0.00 C ATOM 1229 C GLN A 80 -11.891 -8.843 -12.303 1.00 0.00 C ATOM 1230 O GLN A 80 -12.969 -9.034 -12.835 1.00 0.00 O ATOM 1231 CB GLN A 80 -10.197 -10.690 -12.008 1.00 0.00 C ATOM 1232 CG GLN A 80 -9.008 -11.395 -12.663 1.00 0.00 C ATOM 1233 CD GLN A 80 -9.031 -12.885 -12.296 1.00 0.00 C ATOM 1234 OE1 GLN A 80 -10.001 -13.567 -12.561 1.00 0.00 O ATOM 1235 NE2 GLN A 80 -7.999 -13.426 -11.695 1.00 0.00 N ATOM 0 H GLN A 80 -8.895 -8.554 -11.979 1.00 0.00 H new ATOM 0 HA GLN A 80 -10.833 -9.792 -13.890 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -9.929 -10.359 -11.005 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -11.031 -11.383 -11.903 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -9.052 -11.275 -13.746 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -8.074 -10.942 -12.330 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -7.183 -12.856 -11.471 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -8.012 -14.416 -11.451 1.00 0.00 H new ATOM 1244 N GLY A 81 -11.781 -8.080 -11.237 1.00 0.00 N ATOM 1245 CA GLY A 81 -12.994 -7.428 -10.657 1.00 0.00 C ATOM 1246 C GLY A 81 -13.114 -7.780 -9.166 1.00 0.00 C ATOM 1247 O GLY A 81 -13.877 -8.650 -8.793 1.00 0.00 O ATOM 0 H GLY A 81 -10.907 -7.884 -10.749 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -12.931 -6.347 -10.780 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -13.885 -7.758 -11.191 1.00 0.00 H new ATOM 1251 N GLU A 82 -12.372 -7.108 -8.308 1.00 0.00 N ATOM 1252 CA GLU A 82 -12.458 -7.408 -6.846 1.00 0.00 C ATOM 1253 C GLU A 82 -12.982 -6.178 -6.088 1.00 0.00 C ATOM 1254 O GLU A 82 -13.186 -5.131 -6.675 1.00 0.00 O ATOM 1255 CB GLU A 82 -11.025 -7.731 -6.423 1.00 0.00 C ATOM 1256 CG GLU A 82 -11.042 -8.831 -5.358 1.00 0.00 C ATOM 1257 CD GLU A 82 -9.681 -9.527 -5.322 1.00 0.00 C ATOM 1258 OE1 GLU A 82 -9.445 -10.369 -6.173 1.00 0.00 O ATOM 1259 OE2 GLU A 82 -8.898 -9.209 -4.442 1.00 0.00 O ATOM 0 H GLU A 82 -11.716 -6.369 -8.561 1.00 0.00 H new ATOM 0 HA GLU A 82 -13.139 -8.231 -6.629 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -10.444 -8.055 -7.286 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -10.540 -6.837 -6.030 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -11.269 -8.403 -4.382 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -11.827 -9.554 -5.580 1.00 0.00 H new ATOM 1266 N SER A 83 -13.201 -6.286 -4.792 1.00 0.00 N ATOM 1267 CA SER A 83 -13.708 -5.109 -4.022 1.00 0.00 C ATOM 1268 C SER A 83 -12.640 -4.607 -3.041 1.00 0.00 C ATOM 1269 O SER A 83 -12.039 -5.384 -2.322 1.00 0.00 O ATOM 1270 CB SER A 83 -14.929 -5.610 -3.253 1.00 0.00 C ATOM 1271 OG SER A 83 -14.749 -6.982 -2.926 1.00 0.00 O ATOM 0 H SER A 83 -13.050 -7.133 -4.244 1.00 0.00 H new ATOM 0 HA SER A 83 -13.956 -4.279 -4.683 1.00 0.00 H new ATOM 0 HB2 SER A 83 -15.067 -5.023 -2.345 1.00 0.00 H new ATOM 0 HB3 SER A 83 -15.829 -5.483 -3.854 1.00 0.00 H new ATOM 0 HG SER A 83 -15.588 -7.348 -2.575 1.00 0.00 H new ATOM 1277 N ALA A 84 -12.403 -3.313 -2.998 1.00 0.00 N ATOM 1278 CA ALA A 84 -11.375 -2.771 -2.049 1.00 0.00 C ATOM 1279 C ALA A 84 -12.040 -2.232 -0.764 1.00 0.00 C ATOM 1280 O ALA A 84 -11.453 -2.286 0.301 1.00 0.00 O ATOM 1281 CB ALA A 84 -10.663 -1.638 -2.805 1.00 0.00 C ATOM 0 H ALA A 84 -12.873 -2.615 -3.574 1.00 0.00 H new ATOM 0 HA ALA A 84 -10.676 -3.547 -1.736 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -9.898 -1.199 -2.165 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -10.197 -2.038 -3.706 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -11.388 -0.873 -3.081 1.00 0.00 H new ATOM 1287 N GLU A 85 -13.252 -1.708 -0.842 1.00 0.00 N ATOM 1288 CA GLU A 85 -13.915 -1.168 0.403 1.00 0.00 C ATOM 1289 C GLU A 85 -14.022 -2.262 1.484 1.00 0.00 C ATOM 1290 O GLU A 85 -13.880 -1.984 2.660 1.00 0.00 O ATOM 1291 CB GLU A 85 -15.319 -0.670 -0.009 1.00 0.00 C ATOM 1292 CG GLU A 85 -16.189 -1.841 -0.487 1.00 0.00 C ATOM 1293 CD GLU A 85 -17.411 -1.297 -1.228 1.00 0.00 C ATOM 1294 OE1 GLU A 85 -18.353 -0.897 -0.564 1.00 0.00 O ATOM 1295 OE2 GLU A 85 -17.385 -1.291 -2.448 1.00 0.00 O ATOM 0 H GLU A 85 -13.802 -1.632 -1.698 1.00 0.00 H new ATOM 0 HA GLU A 85 -13.327 -0.355 0.828 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -15.798 -0.175 0.836 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -15.229 0.071 -0.803 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -15.612 -2.493 -1.143 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -16.505 -2.445 0.364 1.00 0.00 H new ATOM 1302 N ASN A 86 -14.272 -3.497 1.101 1.00 0.00 N ATOM 1303 CA ASN A 86 -14.383 -4.592 2.137 1.00 0.00 C ATOM 1304 C ASN A 86 -13.083 -4.690 2.949 1.00 0.00 C ATOM 1305 O ASN A 86 -13.118 -4.924 4.144 1.00 0.00 O ATOM 1306 CB ASN A 86 -14.632 -5.903 1.375 1.00 0.00 C ATOM 1307 CG ASN A 86 -16.139 -6.101 1.176 1.00 0.00 C ATOM 1308 OD1 ASN A 86 -16.930 -5.616 1.961 1.00 0.00 O ATOM 1309 ND2 ASN A 86 -16.579 -6.796 0.155 1.00 0.00 N ATOM 0 H ASN A 86 -14.403 -3.795 0.134 1.00 0.00 H new ATOM 0 HA ASN A 86 -15.194 -4.386 2.835 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -14.127 -5.876 0.409 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -14.214 -6.743 1.930 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -17.582 -6.928 0.022 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -15.919 -7.205 -0.506 1.00 0.00 H new ATOM 1316 N ILE A 87 -11.938 -4.503 2.324 1.00 0.00 N ATOM 1317 CA ILE A 87 -10.651 -4.582 3.102 1.00 0.00 C ATOM 1318 C ILE A 87 -10.591 -3.428 4.124 1.00 0.00 C ATOM 1319 O ILE A 87 -10.089 -3.600 5.219 1.00 0.00 O ATOM 1320 CB ILE A 87 -9.500 -4.469 2.077 1.00 0.00 C ATOM 1321 CG1 ILE A 87 -9.545 -5.658 1.100 1.00 0.00 C ATOM 1322 CG2 ILE A 87 -8.152 -4.467 2.805 1.00 0.00 C ATOM 1323 CD1 ILE A 87 -9.427 -6.985 1.865 1.00 0.00 C ATOM 0 H ILE A 87 -11.838 -4.303 1.329 1.00 0.00 H new ATOM 0 HA ILE A 87 -10.575 -5.518 3.656 1.00 0.00 H new ATOM 0 HB ILE A 87 -9.617 -3.538 1.522 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -10.477 -5.638 0.536 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -8.733 -5.574 0.377 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -7.345 -4.387 2.076 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -8.109 -3.619 3.489 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -8.042 -5.393 3.369 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -9.461 -7.816 1.160 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -8.483 -7.009 2.409 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -10.254 -7.074 2.570 1.00 0.00 H new ATOM 1335 N VAL A 88 -11.101 -2.256 3.784 1.00 0.00 N ATOM 1336 CA VAL A 88 -11.059 -1.114 4.770 1.00 0.00 C ATOM 1337 C VAL A 88 -11.824 -1.492 6.049 1.00 0.00 C ATOM 1338 O VAL A 88 -11.414 -1.140 7.139 1.00 0.00 O ATOM 1339 CB VAL A 88 -11.720 0.099 4.088 1.00 0.00 C ATOM 1340 CG1 VAL A 88 -11.710 1.299 5.041 1.00 0.00 C ATOM 1341 CG2 VAL A 88 -10.938 0.458 2.825 1.00 0.00 C ATOM 0 H VAL A 88 -11.536 -2.044 2.886 1.00 0.00 H new ATOM 0 HA VAL A 88 -10.032 -0.883 5.054 1.00 0.00 H new ATOM 0 HB VAL A 88 -12.749 -0.151 3.829 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -12.179 2.154 4.554 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -12.263 1.049 5.946 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -10.681 1.548 5.301 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -11.404 1.316 2.340 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -9.910 0.705 3.091 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -10.942 -0.391 2.141 1.00 0.00 H new ATOM 1351 N SER A 89 -12.929 -2.207 5.935 1.00 0.00 N ATOM 1352 CA SER A 89 -13.696 -2.596 7.179 1.00 0.00 C ATOM 1353 C SER A 89 -12.771 -3.362 8.136 1.00 0.00 C ATOM 1354 O SER A 89 -12.785 -3.132 9.331 1.00 0.00 O ATOM 1355 CB SER A 89 -14.856 -3.495 6.725 1.00 0.00 C ATOM 1356 OG SER A 89 -15.982 -2.687 6.415 1.00 0.00 O ATOM 0 H SER A 89 -13.328 -2.533 5.055 1.00 0.00 H new ATOM 0 HA SER A 89 -14.072 -1.718 7.704 1.00 0.00 H new ATOM 0 HB2 SER A 89 -14.560 -4.077 5.852 1.00 0.00 H new ATOM 0 HB3 SER A 89 -15.110 -4.206 7.511 1.00 0.00 H new ATOM 0 HG SER A 89 -16.724 -3.257 6.123 1.00 0.00 H new ATOM 1362 N LYS A 90 -11.951 -4.255 7.619 1.00 0.00 N ATOM 1363 CA LYS A 90 -11.010 -5.009 8.522 1.00 0.00 C ATOM 1364 C LYS A 90 -9.931 -4.058 9.060 1.00 0.00 C ATOM 1365 O LYS A 90 -9.507 -4.184 10.194 1.00 0.00 O ATOM 1366 CB LYS A 90 -10.371 -6.119 7.674 1.00 0.00 C ATOM 1367 CG LYS A 90 -9.869 -7.240 8.586 1.00 0.00 C ATOM 1368 CD LYS A 90 -8.837 -8.089 7.837 1.00 0.00 C ATOM 1369 CE LYS A 90 -9.000 -9.560 8.227 1.00 0.00 C ATOM 1370 NZ LYS A 90 -7.631 -10.138 8.125 1.00 0.00 N ATOM 0 H LYS A 90 -11.892 -4.492 6.629 1.00 0.00 H new ATOM 0 HA LYS A 90 -11.537 -5.433 9.377 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -11.099 -6.513 6.965 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -9.544 -5.714 7.091 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -9.423 -6.818 9.486 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -10.704 -7.863 8.906 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -8.967 -7.971 6.761 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -7.829 -7.749 8.076 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -9.396 -9.659 9.238 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -9.695 -10.071 7.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -7.660 -11.146 8.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -7.282 -10.035 7.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -6.993 -9.637 8.776 1.00 0.00 H new ATOM 1384 N ILE A 91 -9.491 -3.095 8.270 1.00 0.00 N ATOM 1385 CA ILE A 91 -8.448 -2.140 8.782 1.00 0.00 C ATOM 1386 C ILE A 91 -9.068 -1.223 9.847 1.00 0.00 C ATOM 1387 O ILE A 91 -8.435 -0.908 10.837 1.00 0.00 O ATOM 1388 CB ILE A 91 -7.956 -1.316 7.573 1.00 0.00 C ATOM 1389 CG1 ILE A 91 -7.348 -2.246 6.508 1.00 0.00 C ATOM 1390 CG2 ILE A 91 -6.892 -0.315 8.032 1.00 0.00 C ATOM 1391 CD1 ILE A 91 -6.224 -3.091 7.120 1.00 0.00 C ATOM 0 H ILE A 91 -9.803 -2.933 7.313 1.00 0.00 H new ATOM 0 HA ILE A 91 -7.615 -2.671 9.243 1.00 0.00 H new ATOM 0 HB ILE A 91 -8.804 -0.783 7.143 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -8.121 -2.897 6.100 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -6.958 -1.655 5.679 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -6.546 0.266 7.177 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -7.321 0.356 8.777 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -6.051 -0.853 8.470 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -5.803 -3.744 6.356 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -5.444 -2.434 7.506 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -6.625 -3.696 7.933 1.00 0.00 H new ATOM 1403 N ARG A 92 -10.304 -0.798 9.661 1.00 0.00 N ATOM 1404 CA ARG A 92 -10.943 0.096 10.693 1.00 0.00 C ATOM 1405 C ARG A 92 -10.982 -0.614 12.054 1.00 0.00 C ATOM 1406 O ARG A 92 -10.783 0.011 13.081 1.00 0.00 O ATOM 1407 CB ARG A 92 -12.370 0.395 10.206 1.00 0.00 C ATOM 1408 CG ARG A 92 -12.325 1.490 9.138 1.00 0.00 C ATOM 1409 CD ARG A 92 -13.674 1.561 8.421 1.00 0.00 C ATOM 1410 NE ARG A 92 -13.746 2.944 7.874 1.00 0.00 N ATOM 1411 CZ ARG A 92 -14.402 3.869 8.522 1.00 0.00 C ATOM 1412 NH1 ARG A 92 -15.691 3.989 8.362 1.00 0.00 N ATOM 1413 NH2 ARG A 92 -13.767 4.674 9.329 1.00 0.00 N ATOM 0 H ARG A 92 -10.888 -1.026 8.856 1.00 0.00 H new ATOM 0 HA ARG A 92 -10.375 1.018 10.816 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -12.823 -0.508 9.797 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -12.992 0.713 11.043 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -12.095 2.451 9.597 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -11.531 1.281 8.421 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -13.738 0.818 7.626 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -14.497 1.365 9.108 1.00 0.00 H new ATOM 0 HE ARG A 92 -13.283 3.169 6.993 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -16.187 3.360 7.731 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -16.203 4.712 8.868 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -12.759 4.581 9.453 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -14.279 5.397 9.835 1.00 0.00 H new ATOM 1427 N MET A 93 -11.218 -1.911 12.081 1.00 0.00 N ATOM 1428 CA MET A 93 -11.242 -2.627 13.405 1.00 0.00 C ATOM 1429 C MET A 93 -9.811 -2.745 13.944 1.00 0.00 C ATOM 1430 O MET A 93 -9.572 -2.548 15.120 1.00 0.00 O ATOM 1431 CB MET A 93 -11.840 -4.020 13.151 1.00 0.00 C ATOM 1432 CG MET A 93 -12.040 -4.741 14.486 1.00 0.00 C ATOM 1433 SD MET A 93 -12.381 -6.492 14.180 1.00 0.00 S ATOM 1434 CE MET A 93 -10.701 -7.103 14.464 1.00 0.00 C ATOM 0 H MET A 93 -11.392 -2.494 11.262 1.00 0.00 H new ATOM 0 HA MET A 93 -11.837 -2.088 14.142 1.00 0.00 H new ATOM 0 HB2 MET A 93 -12.792 -3.929 12.629 1.00 0.00 H new ATOM 0 HB3 MET A 93 -11.178 -4.600 12.508 1.00 0.00 H new ATOM 0 HG2 MET A 93 -11.149 -4.636 15.106 1.00 0.00 H new ATOM 0 HG3 MET A 93 -12.866 -4.289 15.036 1.00 0.00 H new ATOM 0 HE1 MET A 93 -10.679 -8.184 14.326 1.00 0.00 H new ATOM 0 HE2 MET A 93 -10.018 -6.632 13.756 1.00 0.00 H new ATOM 0 HE3 MET A 93 -10.393 -6.861 15.481 1.00 0.00 H new ATOM 1444 N MET A 94 -8.852 -3.043 13.091 1.00 0.00 N ATOM 1445 CA MET A 94 -7.433 -3.143 13.578 1.00 0.00 C ATOM 1446 C MET A 94 -6.919 -1.741 13.938 1.00 0.00 C ATOM 1447 O MET A 94 -6.227 -1.568 14.924 1.00 0.00 O ATOM 1448 CB MET A 94 -6.604 -3.741 12.430 1.00 0.00 C ATOM 1449 CG MET A 94 -5.511 -4.643 13.006 1.00 0.00 C ATOM 1450 SD MET A 94 -4.871 -5.723 11.702 1.00 0.00 S ATOM 1451 CE MET A 94 -3.208 -5.015 11.617 1.00 0.00 C ATOM 0 H MET A 94 -8.987 -3.219 12.095 1.00 0.00 H new ATOM 0 HA MET A 94 -7.359 -3.770 14.467 1.00 0.00 H new ATOM 0 HB2 MET A 94 -7.248 -4.313 11.762 1.00 0.00 H new ATOM 0 HB3 MET A 94 -6.157 -2.944 11.836 1.00 0.00 H new ATOM 0 HG2 MET A 94 -4.705 -4.037 13.419 1.00 0.00 H new ATOM 0 HG3 MET A 94 -5.912 -5.241 13.824 1.00 0.00 H new ATOM 0 HE1 MET A 94 -2.680 -5.428 10.758 1.00 0.00 H new ATOM 0 HE2 MET A 94 -3.278 -3.932 11.513 1.00 0.00 H new ATOM 0 HE3 MET A 94 -2.662 -5.257 12.529 1.00 0.00 H new ATOM 1461 N ASN A 95 -7.262 -0.734 13.157 1.00 0.00 N ATOM 1462 CA ASN A 95 -6.789 0.656 13.495 1.00 0.00 C ATOM 1463 C ASN A 95 -7.384 1.096 14.843 1.00 0.00 C ATOM 1464 O ASN A 95 -6.731 1.776 15.614 1.00 0.00 O ATOM 1465 CB ASN A 95 -7.269 1.594 12.371 1.00 0.00 C ATOM 1466 CG ASN A 95 -6.124 1.835 11.378 1.00 0.00 C ATOM 1467 OD1 ASN A 95 -5.439 0.822 10.905 1.00 0.00 O flip ATOM 1468 ND2 ASN A 95 -5.846 2.965 11.026 1.00 0.00 N flip ATOM 0 H ASN A 95 -7.837 -0.811 12.318 1.00 0.00 H new ATOM 0 HA ASN A 95 -5.703 0.686 13.578 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -8.123 1.154 11.857 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -7.604 2.542 12.793 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -6.375 3.757 11.390 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -5.084 3.121 10.366 1.00 0.00 H new