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 Single : A 3 GLN : amide:sc= -2.08 X(o=-2.1,f=-2.1!) USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 6 TYR OH : rot 30:sc= -1.35 USER MOD Single : A 7 THR OG1 : rot 77:sc= -0.736 USER MOD Single : A 9 ASN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 11 LYS NZ :NH3+ -139:sc=-0.00699 (180deg=-0.175) USER MOD Single : A 17 LYS NZ :NH3+ -120:sc= 0 (180deg=-0.226) 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 179:sc= -1.33! USER MOD Single : A 41 ASN : amide:sc= -0.0388 X(o=-0.039,f=-0.14) USER MOD Single : A 44 THR OG1 : rot 55:sc= 0.158 USER MOD Single : A 47 SER OG : rot -45:sc= 0.288 USER MOD Single : A 54 SER OG : rot 98:sc= 1.21 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 95:sc= 0.121 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 ASN :FLIP amide:sc= 0.903 F(o=-0.87,f=0.9) USER MOD Single : A 69 GLN : amide:sc= -0.149 X(o=-0.15,f=-0.0054) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -0.0639 X(o=-0.064,f=0) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 ASN : amide:sc=-0.00584 X(o=-0.0058,f=0) 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 -150:sc= 0 (180deg=-0.362) USER MOD Single : A 95 ASN :FLIP amide:sc= -0.183 F(o=-2.2!,f=-0.18) USER MOD ----------------------------------------------------------------- ATOM 31 N GLN A 3 -5.008 5.304 -15.428 1.00 0.00 N ATOM 32 CA GLN A 3 -5.631 4.224 -14.606 1.00 0.00 C ATOM 33 C GLN A 3 -6.019 4.766 -13.221 1.00 0.00 C ATOM 34 O GLN A 3 -5.775 4.126 -12.216 1.00 0.00 O ATOM 35 CB GLN A 3 -4.551 3.150 -14.478 1.00 0.00 C ATOM 36 CG GLN A 3 -4.530 2.292 -15.744 1.00 0.00 C ATOM 37 CD GLN A 3 -5.613 1.211 -15.649 1.00 0.00 C ATOM 38 OE1 GLN A 3 -5.447 0.234 -14.946 1.00 0.00 O ATOM 39 NE2 GLN A 3 -6.727 1.339 -16.330 1.00 0.00 N ATOM 0 HA GLN A 3 -6.542 3.834 -15.060 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -3.577 3.615 -14.325 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -4.746 2.526 -13.606 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -4.700 2.916 -16.621 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -3.550 1.830 -15.867 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -6.872 2.157 -16.922 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -7.448 0.620 -16.268 1.00 0.00 H new ATOM 48 N GLU A 4 -6.624 5.938 -13.156 1.00 0.00 N ATOM 49 CA GLU A 4 -7.019 6.495 -11.810 1.00 0.00 C ATOM 50 C GLU A 4 -8.007 5.542 -11.125 1.00 0.00 C ATOM 51 O GLU A 4 -7.906 5.295 -9.938 1.00 0.00 O ATOM 52 CB GLU A 4 -7.685 7.857 -12.067 1.00 0.00 C ATOM 53 CG GLU A 4 -6.611 8.902 -12.372 1.00 0.00 C ATOM 54 CD GLU A 4 -7.231 10.056 -13.163 1.00 0.00 C ATOM 55 OE1 GLU A 4 -7.742 10.970 -12.538 1.00 0.00 O ATOM 56 OE2 GLU A 4 -7.184 10.005 -14.381 1.00 0.00 O ATOM 0 H GLU A 4 -6.858 6.523 -13.958 1.00 0.00 H new ATOM 0 HA GLU A 4 -6.152 6.606 -11.159 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -8.381 7.781 -12.902 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -8.265 8.160 -11.195 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -6.178 9.275 -11.444 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -5.800 8.450 -12.943 1.00 0.00 H new ATOM 63 N GLN A 5 -8.956 4.992 -11.859 1.00 0.00 N ATOM 64 CA GLN A 5 -9.934 4.037 -11.215 1.00 0.00 C ATOM 65 C GLN A 5 -9.163 2.883 -10.546 1.00 0.00 C ATOM 66 O GLN A 5 -9.509 2.451 -9.462 1.00 0.00 O ATOM 67 CB GLN A 5 -10.873 3.515 -12.325 1.00 0.00 C ATOM 68 CG GLN A 5 -10.088 2.701 -13.360 1.00 0.00 C ATOM 69 CD GLN A 5 -11.052 2.167 -14.427 1.00 0.00 C ATOM 70 OE1 GLN A 5 -12.171 1.808 -14.118 1.00 0.00 O ATOM 71 NE2 GLN A 5 -10.669 2.096 -15.679 1.00 0.00 N ATOM 0 H GLN A 5 -9.096 5.157 -12.856 1.00 0.00 H new ATOM 0 HA GLN A 5 -10.521 4.532 -10.442 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -11.655 2.896 -11.885 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -11.368 4.354 -12.814 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -9.323 3.324 -13.824 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -9.573 1.873 -12.873 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -9.731 2.396 -15.943 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -11.309 1.741 -16.389 1.00 0.00 H new ATOM 80 N TYR A 6 -8.093 2.415 -11.158 1.00 0.00 N ATOM 81 CA TYR A 6 -7.284 1.328 -10.510 1.00 0.00 C ATOM 82 C TYR A 6 -6.523 1.936 -9.322 1.00 0.00 C ATOM 83 O TYR A 6 -6.398 1.325 -8.280 1.00 0.00 O ATOM 84 CB TYR A 6 -6.290 0.816 -11.566 1.00 0.00 C ATOM 85 CG TYR A 6 -6.941 -0.249 -12.411 1.00 0.00 C ATOM 86 CD1 TYR A 6 -7.767 0.116 -13.482 1.00 0.00 C ATOM 87 CD2 TYR A 6 -6.718 -1.601 -12.128 1.00 0.00 C ATOM 88 CE1 TYR A 6 -8.368 -0.872 -14.269 1.00 0.00 C ATOM 89 CE2 TYR A 6 -7.320 -2.590 -12.914 1.00 0.00 C ATOM 90 CZ TYR A 6 -8.145 -2.226 -13.986 1.00 0.00 C ATOM 91 OH TYR A 6 -8.738 -3.201 -14.762 1.00 0.00 O ATOM 0 H TYR A 6 -7.751 2.734 -12.064 1.00 0.00 H new ATOM 0 HA TYR A 6 -7.910 0.511 -10.152 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -5.959 1.641 -12.197 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -5.403 0.413 -11.078 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -7.940 1.160 -13.700 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -6.081 -1.882 -11.302 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -9.004 -0.591 -15.095 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -7.149 -3.633 -12.694 1.00 0.00 H new ATOM 0 HH TYR A 6 -8.859 -2.864 -15.674 1.00 0.00 H new ATOM 101 N THR A 7 -6.017 3.146 -9.476 1.00 0.00 N ATOM 102 CA THR A 7 -5.269 3.800 -8.346 1.00 0.00 C ATOM 103 C THR A 7 -6.180 3.935 -7.117 1.00 0.00 C ATOM 104 O THR A 7 -5.753 3.704 -6.002 1.00 0.00 O ATOM 105 CB THR A 7 -4.852 5.193 -8.859 1.00 0.00 C ATOM 106 OG1 THR A 7 -4.016 5.042 -9.998 1.00 0.00 O ATOM 107 CG2 THR A 7 -4.099 5.968 -7.774 1.00 0.00 C ATOM 0 H THR A 7 -6.090 3.703 -10.328 1.00 0.00 H new ATOM 0 HA THR A 7 -4.402 3.211 -8.046 1.00 0.00 H new ATOM 0 HB THR A 7 -5.750 5.751 -9.125 1.00 0.00 H new ATOM 0 HG1 THR A 7 -4.564 4.816 -10.778 1.00 0.00 H new ATOM 0 HG21 THR A 7 -3.814 6.948 -8.158 1.00 0.00 H new ATOM 0 HG22 THR A 7 -4.742 6.092 -6.903 1.00 0.00 H new ATOM 0 HG23 THR A 7 -3.204 5.416 -7.488 1.00 0.00 H new ATOM 115 N GLU A 8 -7.428 4.310 -7.306 1.00 0.00 N ATOM 116 CA GLU A 8 -8.343 4.456 -6.118 1.00 0.00 C ATOM 117 C GLU A 8 -8.586 3.087 -5.477 1.00 0.00 C ATOM 118 O GLU A 8 -8.577 2.960 -4.266 1.00 0.00 O ATOM 119 CB GLU A 8 -9.663 5.050 -6.636 1.00 0.00 C ATOM 120 CG GLU A 8 -10.321 5.876 -5.529 1.00 0.00 C ATOM 121 CD GLU A 8 -11.836 5.894 -5.735 1.00 0.00 C ATOM 122 OE1 GLU A 8 -12.369 4.880 -6.156 1.00 0.00 O ATOM 123 OE2 GLU A 8 -12.439 6.921 -5.468 1.00 0.00 O ATOM 0 H GLU A 8 -7.848 4.518 -8.212 1.00 0.00 H new ATOM 0 HA GLU A 8 -7.903 5.104 -5.360 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -9.475 5.676 -7.508 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -10.333 4.252 -6.955 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -10.081 5.452 -4.554 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -9.930 6.893 -5.539 1.00 0.00 H new ATOM 130 N ASN A 9 -8.778 2.058 -6.271 1.00 0.00 N ATOM 131 CA ASN A 9 -8.992 0.695 -5.671 1.00 0.00 C ATOM 132 C ASN A 9 -7.650 0.159 -5.158 1.00 0.00 C ATOM 133 O ASN A 9 -7.582 -0.434 -4.097 1.00 0.00 O ATOM 134 CB ASN A 9 -9.547 -0.205 -6.785 1.00 0.00 C ATOM 135 CG ASN A 9 -11.066 -0.026 -6.880 1.00 0.00 C ATOM 136 OD1 ASN A 9 -11.551 1.085 -6.947 1.00 0.00 O ATOM 137 ND2 ASN A 9 -11.849 -1.078 -6.889 1.00 0.00 N ATOM 0 H ASN A 9 -8.796 2.098 -7.290 1.00 0.00 H new ATOM 0 HA ASN A 9 -9.688 0.726 -4.833 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -9.080 0.048 -7.737 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -9.306 -1.248 -6.579 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -12.860 -0.961 -6.952 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -11.447 -2.014 -6.833 1.00 0.00 H new ATOM 144 N LEU A 10 -6.576 0.380 -5.889 1.00 0.00 N ATOM 145 CA LEU A 10 -5.239 -0.105 -5.406 1.00 0.00 C ATOM 146 C LEU A 10 -4.839 0.671 -4.145 1.00 0.00 C ATOM 147 O LEU A 10 -4.266 0.110 -3.229 1.00 0.00 O ATOM 148 CB LEU A 10 -4.229 0.155 -6.536 1.00 0.00 C ATOM 149 CG LEU A 10 -2.863 -0.408 -6.137 1.00 0.00 C ATOM 150 CD1 LEU A 10 -2.951 -1.932 -6.027 1.00 0.00 C ATOM 151 CD2 LEU A 10 -1.826 -0.031 -7.199 1.00 0.00 C ATOM 0 H LEU A 10 -6.567 0.867 -6.785 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.268 -1.166 -5.157 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -4.571 -0.312 -7.459 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.151 1.225 -6.730 1.00 0.00 H new ATOM 0 HG LEU A 10 -2.565 0.008 -5.175 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -1.978 -2.333 -5.743 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.689 -2.200 -5.271 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.249 -2.350 -6.989 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.853 -0.432 -6.916 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.123 -0.447 -8.162 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.763 1.054 -7.277 1.00 0.00 H new ATOM 163 N LYS A 11 -5.145 1.956 -4.074 1.00 0.00 N ATOM 164 CA LYS A 11 -4.777 2.739 -2.840 1.00 0.00 C ATOM 165 C LYS A 11 -5.419 2.102 -1.596 1.00 0.00 C ATOM 166 O LYS A 11 -4.831 2.107 -0.530 1.00 0.00 O ATOM 167 CB LYS A 11 -5.309 4.168 -3.039 1.00 0.00 C ATOM 168 CG LYS A 11 -4.680 5.097 -1.998 1.00 0.00 C ATOM 169 CD LYS A 11 -5.692 6.167 -1.587 1.00 0.00 C ATOM 170 CE LYS A 11 -6.682 5.575 -0.582 1.00 0.00 C ATOM 171 NZ LYS A 11 -5.977 5.633 0.729 1.00 0.00 N ATOM 0 H LYS A 11 -5.624 2.486 -4.802 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.697 2.744 -2.691 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.074 4.518 -4.044 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -6.395 4.180 -2.944 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.368 4.523 -1.125 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -3.786 5.566 -2.408 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.176 7.020 -1.146 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.224 6.535 -2.464 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -7.610 6.147 -0.557 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -6.946 4.550 -0.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -6.157 4.757 1.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -4.955 5.737 0.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -6.326 6.446 1.275 1.00 0.00 H new ATOM 185 N VAL A 12 -6.607 1.543 -1.718 1.00 0.00 N ATOM 186 CA VAL A 12 -7.247 0.901 -0.517 1.00 0.00 C ATOM 187 C VAL A 12 -6.486 -0.385 -0.170 1.00 0.00 C ATOM 188 O VAL A 12 -6.131 -0.609 0.973 1.00 0.00 O ATOM 189 CB VAL A 12 -8.701 0.582 -0.902 1.00 0.00 C ATOM 190 CG1 VAL A 12 -9.409 -0.090 0.274 1.00 0.00 C ATOM 191 CG2 VAL A 12 -9.428 1.881 -1.259 1.00 0.00 C ATOM 0 H VAL A 12 -7.152 1.504 -2.580 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.221 1.556 0.354 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.709 -0.090 -1.760 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.439 -0.315 -0.002 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.892 -1.015 0.530 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.402 0.580 1.134 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.459 1.658 -1.532 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.418 2.552 -0.400 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.926 2.360 -2.099 1.00 0.00 H new ATOM 201 N ILE A 13 -6.223 -1.224 -1.147 1.00 0.00 N ATOM 202 CA ILE A 13 -5.466 -2.490 -0.851 1.00 0.00 C ATOM 203 C ILE A 13 -4.052 -2.142 -0.358 1.00 0.00 C ATOM 204 O ILE A 13 -3.528 -2.792 0.528 1.00 0.00 O ATOM 205 CB ILE A 13 -5.405 -3.290 -2.167 1.00 0.00 C ATOM 206 CG1 ILE A 13 -6.834 -3.604 -2.638 1.00 0.00 C ATOM 207 CG2 ILE A 13 -4.643 -4.600 -1.940 1.00 0.00 C ATOM 208 CD1 ILE A 13 -6.932 -3.432 -4.156 1.00 0.00 C ATOM 0 H ILE A 13 -6.494 -1.093 -2.122 1.00 0.00 H new ATOM 0 HA ILE A 13 -5.953 -3.076 -0.072 1.00 0.00 H new ATOM 0 HB ILE A 13 -4.890 -2.701 -2.926 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -7.102 -4.624 -2.361 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -7.544 -2.942 -2.142 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -4.602 -5.163 -2.872 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -3.630 -4.378 -1.605 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -5.155 -5.192 -1.181 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -7.947 -3.656 -4.483 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -6.683 -2.405 -4.423 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -6.235 -4.112 -4.645 1.00 0.00 H new ATOM 220 N VAL A 14 -3.433 -1.115 -0.908 1.00 0.00 N ATOM 221 CA VAL A 14 -2.054 -0.738 -0.432 1.00 0.00 C ATOM 222 C VAL A 14 -2.130 -0.307 1.041 1.00 0.00 C ATOM 223 O VAL A 14 -1.291 -0.677 1.841 1.00 0.00 O ATOM 224 CB VAL A 14 -1.580 0.432 -1.315 1.00 0.00 C ATOM 225 CG1 VAL A 14 -0.174 0.868 -0.886 1.00 0.00 C ATOM 226 CG2 VAL A 14 -1.559 -0.009 -2.787 1.00 0.00 C ATOM 0 H VAL A 14 -3.814 -0.531 -1.652 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.359 -1.574 -0.506 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.266 1.271 -1.200 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.157 1.696 -1.513 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.194 1.188 0.156 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.516 0.031 -0.995 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.223 0.820 -3.410 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.877 -0.851 -2.905 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -2.562 -0.309 -3.091 1.00 0.00 H new ATOM 236 N ALA A 15 -3.137 0.462 1.412 1.00 0.00 N ATOM 237 CA ALA A 15 -3.254 0.890 2.853 1.00 0.00 C ATOM 238 C ALA A 15 -3.428 -0.346 3.755 1.00 0.00 C ATOM 239 O ALA A 15 -2.941 -0.371 4.869 1.00 0.00 O ATOM 240 CB ALA A 15 -4.494 1.793 2.950 1.00 0.00 C ATOM 0 H ALA A 15 -3.870 0.806 0.792 1.00 0.00 H new ATOM 0 HA ALA A 15 -2.359 1.420 3.179 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.620 2.129 3.979 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.366 2.658 2.299 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.377 1.233 2.640 1.00 0.00 H new ATOM 246 N GLU A 16 -4.114 -1.377 3.287 1.00 0.00 N ATOM 247 CA GLU A 16 -4.302 -2.608 4.143 1.00 0.00 C ATOM 248 C GLU A 16 -2.942 -3.135 4.636 1.00 0.00 C ATOM 249 O GLU A 16 -2.829 -3.612 5.750 1.00 0.00 O ATOM 250 CB GLU A 16 -4.976 -3.663 3.250 1.00 0.00 C ATOM 251 CG GLU A 16 -5.520 -4.801 4.118 1.00 0.00 C ATOM 252 CD GLU A 16 -5.762 -6.036 3.249 1.00 0.00 C ATOM 253 OE1 GLU A 16 -4.892 -6.357 2.457 1.00 0.00 O ATOM 254 OE2 GLU A 16 -6.813 -6.639 3.390 1.00 0.00 O ATOM 0 H GLU A 16 -4.545 -1.419 2.364 1.00 0.00 H new ATOM 0 HA GLU A 16 -4.907 -2.381 5.021 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -5.786 -3.208 2.680 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.259 -4.054 2.528 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.812 -5.036 4.913 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -6.449 -4.494 4.598 1.00 0.00 H new ATOM 261 N LYS A 17 -1.907 -3.048 3.822 1.00 0.00 N ATOM 262 CA LYS A 17 -0.562 -3.546 4.275 1.00 0.00 C ATOM 263 C LYS A 17 0.149 -2.458 5.093 1.00 0.00 C ATOM 264 O LYS A 17 0.764 -2.744 6.103 1.00 0.00 O ATOM 265 CB LYS A 17 0.236 -3.869 3.001 1.00 0.00 C ATOM 266 CG LYS A 17 0.992 -5.188 3.184 1.00 0.00 C ATOM 267 CD LYS A 17 2.046 -5.037 4.292 1.00 0.00 C ATOM 268 CE LYS A 17 1.635 -5.860 5.518 1.00 0.00 C ATOM 269 NZ LYS A 17 1.865 -7.278 5.122 1.00 0.00 N ATOM 0 H LYS A 17 -1.935 -2.660 2.879 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.655 -4.427 4.909 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -0.438 -3.941 2.147 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.938 -3.063 2.786 1.00 0.00 H new ATOM 0 HG2 LYS A 17 0.294 -5.985 3.440 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.473 -5.474 2.249 1.00 0.00 H new ATOM 0 HD2 LYS A 17 3.018 -5.370 3.929 1.00 0.00 H new ATOM 0 HD3 LYS A 17 2.150 -3.987 4.566 1.00 0.00 H new ATOM 0 HE2 LYS A 17 2.230 -5.592 6.391 1.00 0.00 H new ATOM 0 HE3 LYS A 17 0.591 -5.687 5.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 0.968 -7.802 5.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 2.231 -7.312 4.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 2.556 -7.711 5.767 1.00 0.00 H new ATOM 283 N LEU A 18 0.065 -1.209 4.675 1.00 0.00 N ATOM 284 CA LEU A 18 0.743 -0.115 5.461 1.00 0.00 C ATOM 285 C LEU A 18 0.072 0.023 6.834 1.00 0.00 C ATOM 286 O LEU A 18 0.736 0.018 7.854 1.00 0.00 O ATOM 287 CB LEU A 18 0.565 1.181 4.658 1.00 0.00 C ATOM 288 CG LEU A 18 1.389 1.109 3.375 1.00 0.00 C ATOM 289 CD1 LEU A 18 0.805 2.077 2.344 1.00 0.00 C ATOM 290 CD2 LEU A 18 2.838 1.499 3.678 1.00 0.00 C ATOM 0 H LEU A 18 -0.434 -0.903 3.839 1.00 0.00 H new ATOM 0 HA LEU A 18 1.799 -0.335 5.618 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.488 1.329 4.418 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.879 2.037 5.256 1.00 0.00 H new ATOM 0 HG LEU A 18 1.362 0.094 2.979 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.391 2.028 1.426 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.228 1.801 2.130 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.835 3.092 2.740 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.428 1.448 2.763 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.867 2.515 4.072 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.253 0.812 4.416 1.00 0.00 H new ATOM 302 N ALA A 19 -1.241 0.136 6.874 1.00 0.00 N ATOM 303 CA ALA A 19 -1.939 0.261 8.204 1.00 0.00 C ATOM 304 C ALA A 19 -1.711 -1.006 9.055 1.00 0.00 C ATOM 305 O ALA A 19 -1.782 -0.952 10.268 1.00 0.00 O ATOM 306 CB ALA A 19 -3.439 0.431 7.908 1.00 0.00 C ATOM 0 H ALA A 19 -1.852 0.147 6.057 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.549 1.111 8.764 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.986 0.526 8.846 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.592 1.327 7.306 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.803 -0.439 7.362 1.00 0.00 H new ATOM 312 N GLY A 20 -1.445 -2.150 8.441 1.00 0.00 N ATOM 313 CA GLY A 20 -1.228 -3.395 9.237 1.00 0.00 C ATOM 314 C GLY A 20 0.189 -3.416 9.837 1.00 0.00 C ATOM 315 O GLY A 20 0.386 -3.928 10.923 1.00 0.00 O ATOM 0 H GLY A 20 -1.372 -2.264 7.430 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.967 -3.456 10.035 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -1.372 -4.269 8.602 1.00 0.00 H new ATOM 319 N ILE A 21 1.183 -2.878 9.149 1.00 0.00 N ATOM 320 CA ILE A 21 2.583 -2.900 9.722 1.00 0.00 C ATOM 321 C ILE A 21 2.592 -2.236 11.120 1.00 0.00 C ATOM 322 O ILE A 21 2.067 -1.151 11.279 1.00 0.00 O ATOM 323 CB ILE A 21 3.477 -2.117 8.736 1.00 0.00 C ATOM 324 CG1 ILE A 21 3.536 -2.865 7.398 1.00 0.00 C ATOM 325 CG2 ILE A 21 4.898 -1.989 9.297 1.00 0.00 C ATOM 326 CD1 ILE A 21 3.650 -1.863 6.246 1.00 0.00 C ATOM 0 H ILE A 21 1.090 -2.434 8.235 1.00 0.00 H new ATOM 0 HA ILE A 21 2.948 -3.920 9.844 1.00 0.00 H new ATOM 0 HB ILE A 21 3.055 -1.122 8.592 1.00 0.00 H new ATOM 0 HG12 ILE A 21 4.389 -3.543 7.388 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.642 -3.476 7.273 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.519 -1.435 8.593 1.00 0.00 H new ATOM 0 HG22 ILE A 21 4.867 -1.458 10.249 1.00 0.00 H new ATOM 0 HG23 ILE A 21 5.320 -2.982 9.449 1.00 0.00 H new ATOM 0 HD11 ILE A 21 3.691 -2.401 5.299 1.00 0.00 H new ATOM 0 HD12 ILE A 21 2.783 -1.203 6.251 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.557 -1.271 6.367 1.00 0.00 H new ATOM 338 N PRO A 22 3.183 -2.904 12.094 1.00 0.00 N ATOM 339 CA PRO A 22 3.233 -2.343 13.471 1.00 0.00 C ATOM 340 C PRO A 22 4.214 -1.156 13.578 1.00 0.00 C ATOM 341 O PRO A 22 4.087 -0.339 14.472 1.00 0.00 O ATOM 342 CB PRO A 22 3.714 -3.514 14.323 1.00 0.00 C ATOM 343 CG PRO A 22 4.466 -4.397 13.382 1.00 0.00 C ATOM 344 CD PRO A 22 3.848 -4.219 12.020 1.00 0.00 C ATOM 0 HA PRO A 22 2.267 -1.947 13.785 1.00 0.00 H new ATOM 0 HB2 PRO A 22 4.352 -3.173 15.138 1.00 0.00 H new ATOM 0 HB3 PRO A 22 2.875 -4.043 14.775 1.00 0.00 H new ATOM 0 HG2 PRO A 22 5.523 -4.130 13.364 1.00 0.00 H new ATOM 0 HG3 PRO A 22 4.406 -5.438 13.699 1.00 0.00 H new ATOM 0 HD2 PRO A 22 4.603 -4.240 11.234 1.00 0.00 H new ATOM 0 HD3 PRO A 22 3.136 -5.014 11.799 1.00 0.00 H new ATOM 415 N ASP A 27 2.119 9.130 8.000 1.00 0.00 N ATOM 416 CA ASP A 27 1.735 9.241 6.553 1.00 0.00 C ATOM 417 C ASP A 27 1.303 7.871 5.991 1.00 0.00 C ATOM 418 O ASP A 27 1.599 7.547 4.857 1.00 0.00 O ATOM 419 CB ASP A 27 2.996 9.736 5.841 1.00 0.00 C ATOM 420 CG ASP A 27 3.118 11.252 6.012 1.00 0.00 C ATOM 421 OD1 ASP A 27 3.386 11.683 7.121 1.00 0.00 O ATOM 422 OD2 ASP A 27 2.939 11.954 5.031 1.00 0.00 O ATOM 0 HA ASP A 27 0.891 9.915 6.411 1.00 0.00 H new ATOM 0 HB2 ASP A 27 3.876 9.241 6.252 1.00 0.00 H new ATOM 0 HB3 ASP A 27 2.952 9.481 4.782 1.00 0.00 H new ATOM 427 N ILE A 28 0.609 7.066 6.772 1.00 0.00 N ATOM 428 CA ILE A 28 0.175 5.719 6.253 1.00 0.00 C ATOM 429 C ILE A 28 -0.840 5.893 5.104 1.00 0.00 C ATOM 430 O ILE A 28 -0.848 5.113 4.168 1.00 0.00 O ATOM 431 CB ILE A 28 -0.416 4.947 7.464 1.00 0.00 C ATOM 432 CG1 ILE A 28 -0.510 3.443 7.147 1.00 0.00 C ATOM 433 CG2 ILE A 28 -1.798 5.487 7.858 1.00 0.00 C ATOM 434 CD1 ILE A 28 -1.517 3.174 6.019 1.00 0.00 C ATOM 0 H ILE A 28 0.328 7.277 7.730 1.00 0.00 H new ATOM 0 HA ILE A 28 1.007 5.154 5.832 1.00 0.00 H new ATOM 0 HB ILE A 28 0.257 5.095 8.309 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.472 3.068 6.858 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.809 2.898 8.042 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.180 4.923 8.709 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.714 6.539 8.129 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -2.483 5.383 7.016 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.561 2.104 5.818 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.503 3.528 6.320 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -1.202 3.700 5.117 1.00 0.00 H new ATOM 446 N LYS A 29 -1.671 6.910 5.141 1.00 0.00 N ATOM 447 CA LYS A 29 -2.636 7.109 4.009 1.00 0.00 C ATOM 448 C LYS A 29 -1.923 7.866 2.878 1.00 0.00 C ATOM 449 O LYS A 29 -2.129 7.576 1.715 1.00 0.00 O ATOM 450 CB LYS A 29 -3.810 7.930 4.563 1.00 0.00 C ATOM 451 CG LYS A 29 -4.514 7.135 5.664 1.00 0.00 C ATOM 452 CD LYS A 29 -5.984 7.550 5.734 1.00 0.00 C ATOM 453 CE LYS A 29 -6.680 6.780 6.860 1.00 0.00 C ATOM 454 NZ LYS A 29 -7.150 5.515 6.229 1.00 0.00 N ATOM 0 H LYS A 29 -1.724 7.599 5.891 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.999 6.162 3.608 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -3.449 8.879 4.959 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -4.513 8.165 3.763 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -4.436 6.067 5.462 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -4.029 7.314 6.623 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.062 8.623 5.911 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.476 7.347 4.783 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -5.994 6.579 7.683 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -7.514 7.350 7.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -7.638 4.933 6.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.806 5.737 5.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -6.334 4.991 5.853 1.00 0.00 H new ATOM 468 N TYR A 30 -1.064 8.814 3.207 1.00 0.00 N ATOM 469 CA TYR A 30 -0.326 9.550 2.125 1.00 0.00 C ATOM 470 C TYR A 30 0.761 8.647 1.517 1.00 0.00 C ATOM 471 O TYR A 30 1.084 8.781 0.351 1.00 0.00 O ATOM 472 CB TYR A 30 0.310 10.786 2.781 1.00 0.00 C ATOM 473 CG TYR A 30 -0.745 11.844 2.994 1.00 0.00 C ATOM 474 CD1 TYR A 30 -1.064 12.734 1.961 1.00 0.00 C ATOM 475 CD2 TYR A 30 -1.404 11.937 4.226 1.00 0.00 C ATOM 476 CE1 TYR A 30 -2.042 13.715 2.160 1.00 0.00 C ATOM 477 CE2 TYR A 30 -2.383 12.918 4.425 1.00 0.00 C ATOM 478 CZ TYR A 30 -2.701 13.808 3.392 1.00 0.00 C ATOM 479 OH TYR A 30 -3.666 14.775 3.587 1.00 0.00 O ATOM 0 H TYR A 30 -0.847 9.103 4.161 1.00 0.00 H new ATOM 0 HA TYR A 30 -1.000 9.842 1.320 1.00 0.00 H new ATOM 0 HB2 TYR A 30 0.763 10.512 3.734 1.00 0.00 H new ATOM 0 HB3 TYR A 30 1.108 11.176 2.149 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -0.555 12.663 1.011 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -1.157 11.252 5.023 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -2.289 14.401 1.363 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -2.893 12.988 5.375 1.00 0.00 H new ATOM 0 HH TYR A 30 -4.025 14.701 4.496 1.00 0.00 H new ATOM 489 N VAL A 31 1.328 7.723 2.279 1.00 0.00 N ATOM 490 CA VAL A 31 2.384 6.832 1.683 1.00 0.00 C ATOM 491 C VAL A 31 1.747 5.861 0.670 1.00 0.00 C ATOM 492 O VAL A 31 2.344 5.550 -0.343 1.00 0.00 O ATOM 493 CB VAL A 31 3.066 6.079 2.855 1.00 0.00 C ATOM 494 CG1 VAL A 31 2.135 5.011 3.443 1.00 0.00 C ATOM 495 CG2 VAL A 31 4.359 5.416 2.352 1.00 0.00 C ATOM 0 H VAL A 31 1.110 7.553 3.261 1.00 0.00 H new ATOM 0 HA VAL A 31 3.130 7.410 1.137 1.00 0.00 H new ATOM 0 HB VAL A 31 3.297 6.799 3.640 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.640 4.500 4.263 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.227 5.485 3.816 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.876 4.288 2.669 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.840 4.886 3.174 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.120 4.711 1.556 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.035 6.181 1.969 1.00 0.00 H new ATOM 505 N ALA A 32 0.542 5.387 0.925 1.00 0.00 N ATOM 506 CA ALA A 32 -0.104 4.443 -0.058 1.00 0.00 C ATOM 507 C ALA A 32 -0.318 5.156 -1.403 1.00 0.00 C ATOM 508 O ALA A 32 -0.129 4.569 -2.451 1.00 0.00 O ATOM 509 CB ALA A 32 -1.455 4.024 0.542 1.00 0.00 C ATOM 0 H ALA A 32 -0.012 5.607 1.753 1.00 0.00 H new ATOM 0 HA ALA A 32 0.526 3.571 -0.237 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -1.959 3.338 -0.139 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -1.290 3.529 1.499 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -2.076 4.907 0.692 1.00 0.00 H new ATOM 515 N GLU A 33 -0.704 6.419 -1.386 1.00 0.00 N ATOM 516 CA GLU A 33 -0.916 7.148 -2.691 1.00 0.00 C ATOM 517 C GLU A 33 0.394 7.165 -3.487 1.00 0.00 C ATOM 518 O GLU A 33 0.414 6.849 -4.663 1.00 0.00 O ATOM 519 CB GLU A 33 -1.346 8.581 -2.340 1.00 0.00 C ATOM 520 CG GLU A 33 -2.829 8.594 -1.964 1.00 0.00 C ATOM 521 CD GLU A 33 -3.225 9.996 -1.496 1.00 0.00 C ATOM 522 OE1 GLU A 33 -2.741 10.410 -0.455 1.00 0.00 O ATOM 523 OE2 GLU A 33 -4.005 10.631 -2.187 1.00 0.00 O ATOM 0 H GLU A 33 -0.878 6.968 -0.544 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.676 6.659 -3.300 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.747 8.959 -1.511 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.170 9.243 -3.188 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.435 8.301 -2.821 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.021 7.868 -1.174 1.00 0.00 H new ATOM 530 N TYR A 34 1.493 7.511 -2.853 1.00 0.00 N ATOM 531 CA TYR A 34 2.809 7.518 -3.589 1.00 0.00 C ATOM 532 C TYR A 34 3.123 6.093 -4.070 1.00 0.00 C ATOM 533 O TYR A 34 3.589 5.896 -5.176 1.00 0.00 O ATOM 534 CB TYR A 34 3.875 8.001 -2.585 1.00 0.00 C ATOM 535 CG TYR A 34 5.268 8.004 -3.199 1.00 0.00 C ATOM 536 CD1 TYR A 34 5.462 8.171 -4.584 1.00 0.00 C ATOM 537 CD2 TYR A 34 6.378 7.862 -2.358 1.00 0.00 C ATOM 538 CE1 TYR A 34 6.759 8.194 -5.111 1.00 0.00 C ATOM 539 CE2 TYR A 34 7.671 7.881 -2.887 1.00 0.00 C ATOM 540 CZ TYR A 34 7.863 8.048 -4.263 1.00 0.00 C ATOM 541 OH TYR A 34 9.141 8.075 -4.782 1.00 0.00 O ATOM 0 H TYR A 34 1.540 7.786 -1.872 1.00 0.00 H new ATOM 0 HA TYR A 34 2.785 8.171 -4.461 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.625 9.006 -2.245 1.00 0.00 H new ATOM 0 HB3 TYR A 34 3.866 7.356 -1.707 1.00 0.00 H new ATOM 0 HD1 TYR A 34 4.611 8.281 -5.239 1.00 0.00 H new ATOM 0 HD2 TYR A 34 6.234 7.737 -1.295 1.00 0.00 H new ATOM 0 HE1 TYR A 34 6.908 8.325 -6.173 1.00 0.00 H new ATOM 0 HE2 TYR A 34 8.523 7.767 -2.233 1.00 0.00 H new ATOM 0 HH TYR A 34 9.791 7.977 -4.055 1.00 0.00 H new ATOM 551 N ILE A 35 2.849 5.094 -3.252 1.00 0.00 N ATOM 552 CA ILE A 35 3.114 3.676 -3.688 1.00 0.00 C ATOM 553 C ILE A 35 2.257 3.370 -4.928 1.00 0.00 C ATOM 554 O ILE A 35 2.760 2.885 -5.925 1.00 0.00 O ATOM 555 CB ILE A 35 2.725 2.783 -2.490 1.00 0.00 C ATOM 556 CG1 ILE A 35 3.730 3.016 -1.359 1.00 0.00 C ATOM 557 CG2 ILE A 35 2.747 1.303 -2.883 1.00 0.00 C ATOM 558 CD1 ILE A 35 3.260 2.297 -0.095 1.00 0.00 C ATOM 0 H ILE A 35 2.459 5.197 -2.315 1.00 0.00 H new ATOM 0 HA ILE A 35 4.155 3.503 -3.962 1.00 0.00 H new ATOM 0 HB ILE A 35 1.716 3.041 -2.169 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.714 2.650 -1.653 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.832 4.084 -1.165 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.470 0.694 -2.023 1.00 0.00 H new ATOM 0 HG22 ILE A 35 2.038 1.131 -3.693 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.749 1.029 -3.213 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.978 2.465 0.708 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.286 2.684 0.203 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.181 1.228 -0.293 1.00 0.00 H new ATOM 570 N VAL A 36 0.977 3.677 -4.887 1.00 0.00 N ATOM 571 CA VAL A 36 0.113 3.425 -6.097 1.00 0.00 C ATOM 572 C VAL A 36 0.628 4.287 -7.259 1.00 0.00 C ATOM 573 O VAL A 36 0.721 3.826 -8.381 1.00 0.00 O ATOM 574 CB VAL A 36 -1.323 3.829 -5.717 1.00 0.00 C ATOM 575 CG1 VAL A 36 -2.253 3.636 -6.919 1.00 0.00 C ATOM 576 CG2 VAL A 36 -1.805 2.951 -4.556 1.00 0.00 C ATOM 0 H VAL A 36 0.498 4.084 -4.084 1.00 0.00 H new ATOM 0 HA VAL A 36 0.139 2.380 -6.406 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.335 4.877 -5.418 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.268 3.924 -6.644 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.912 4.258 -7.747 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.242 2.589 -7.223 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.822 3.234 -4.284 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.789 1.904 -4.860 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.148 3.090 -3.698 1.00 0.00 H new ATOM 586 N LEU A 37 0.991 5.531 -6.997 1.00 0.00 N ATOM 587 CA LEU A 37 1.529 6.402 -8.106 1.00 0.00 C ATOM 588 C LEU A 37 2.743 5.709 -8.742 1.00 0.00 C ATOM 589 O LEU A 37 2.870 5.660 -9.951 1.00 0.00 O ATOM 590 CB LEU A 37 1.952 7.734 -7.465 1.00 0.00 C ATOM 591 CG LEU A 37 1.888 8.847 -8.512 1.00 0.00 C ATOM 592 CD1 LEU A 37 0.494 9.477 -8.505 1.00 0.00 C ATOM 593 CD2 LEU A 37 2.931 9.918 -8.181 1.00 0.00 C ATOM 0 H LEU A 37 0.939 5.974 -6.080 1.00 0.00 H new ATOM 0 HA LEU A 37 0.783 6.572 -8.882 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.297 7.971 -6.627 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.963 7.653 -7.066 1.00 0.00 H new ATOM 0 HG LEU A 37 2.093 8.429 -9.498 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.449 10.270 -9.251 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.250 8.716 -8.739 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.288 9.894 -7.519 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.886 10.712 -8.927 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.725 10.334 -7.195 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.925 9.471 -8.186 1.00 0.00 H new ATOM 605 N LEU A 38 3.620 5.137 -7.934 1.00 0.00 N ATOM 606 CA LEU A 38 4.800 4.409 -8.520 1.00 0.00 C ATOM 607 C LEU A 38 4.276 3.208 -9.324 1.00 0.00 C ATOM 608 O LEU A 38 4.729 2.940 -10.420 1.00 0.00 O ATOM 609 CB LEU A 38 5.661 3.924 -7.343 1.00 0.00 C ATOM 610 CG LEU A 38 6.242 5.127 -6.598 1.00 0.00 C ATOM 611 CD1 LEU A 38 6.767 4.676 -5.233 1.00 0.00 C ATOM 612 CD2 LEU A 38 7.391 5.723 -7.414 1.00 0.00 C ATOM 0 H LEU A 38 3.570 5.143 -6.915 1.00 0.00 H new ATOM 0 HA LEU A 38 5.388 5.048 -9.179 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.059 3.320 -6.664 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.466 3.286 -7.708 1.00 0.00 H new ATOM 0 HG LEU A 38 5.465 5.879 -6.458 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.181 5.533 -4.701 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.950 4.249 -4.652 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.544 3.925 -5.372 1.00 0.00 H new ATOM 0 HD21 LEU A 38 7.807 6.581 -6.885 1.00 0.00 H new ATOM 0 HD22 LEU A 38 8.168 4.971 -7.552 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.018 6.043 -8.387 1.00 0.00 H new ATOM 624 N ILE A 39 3.304 2.495 -8.785 1.00 0.00 N ATOM 625 CA ILE A 39 2.726 1.317 -9.528 1.00 0.00 C ATOM 626 C ILE A 39 2.134 1.809 -10.859 1.00 0.00 C ATOM 627 O ILE A 39 2.413 1.257 -11.908 1.00 0.00 O ATOM 628 CB ILE A 39 1.624 0.737 -8.608 1.00 0.00 C ATOM 629 CG1 ILE A 39 2.277 0.109 -7.358 1.00 0.00 C ATOM 630 CG2 ILE A 39 0.769 -0.306 -9.353 1.00 0.00 C ATOM 631 CD1 ILE A 39 2.982 -1.210 -7.710 1.00 0.00 C ATOM 0 H ILE A 39 2.889 2.676 -7.871 1.00 0.00 H new ATOM 0 HA ILE A 39 3.472 0.557 -9.759 1.00 0.00 H new ATOM 0 HB ILE A 39 0.962 1.547 -8.302 1.00 0.00 H new ATOM 0 HG12 ILE A 39 2.996 0.807 -6.929 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.517 -0.072 -6.598 1.00 0.00 H new ATOM 0 HG21 ILE A 39 0.004 -0.696 -8.682 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.292 0.162 -10.214 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.405 -1.124 -9.691 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.434 -1.632 -6.812 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.255 -1.914 -8.116 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.758 -1.021 -8.452 1.00 0.00 H new ATOM 643 N VAL A 40 1.334 2.852 -10.826 1.00 0.00 N ATOM 644 CA VAL A 40 0.747 3.380 -12.111 1.00 0.00 C ATOM 645 C VAL A 40 1.883 3.834 -13.045 1.00 0.00 C ATOM 646 O VAL A 40 1.801 3.667 -14.247 1.00 0.00 O ATOM 647 CB VAL A 40 -0.151 4.576 -11.741 1.00 0.00 C ATOM 648 CG1 VAL A 40 -0.792 5.150 -13.008 1.00 0.00 C ATOM 649 CG2 VAL A 40 -1.252 4.116 -10.779 1.00 0.00 C ATOM 0 H VAL A 40 1.063 3.356 -9.981 1.00 0.00 H new ATOM 0 HA VAL A 40 0.168 2.614 -12.627 1.00 0.00 H new ATOM 0 HB VAL A 40 0.455 5.344 -11.260 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.427 5.996 -12.744 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.011 5.482 -13.692 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.395 4.381 -13.491 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.886 4.964 -10.519 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.856 3.346 -11.259 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.799 3.711 -9.874 1.00 0.00 H new ATOM 659 N ASN A 41 2.943 4.404 -12.504 1.00 0.00 N ATOM 660 CA ASN A 41 4.077 4.862 -13.384 1.00 0.00 C ATOM 661 C ASN A 41 4.628 3.690 -14.210 1.00 0.00 C ATOM 662 O ASN A 41 5.000 3.865 -15.356 1.00 0.00 O ATOM 663 CB ASN A 41 5.173 5.413 -12.457 1.00 0.00 C ATOM 664 CG ASN A 41 4.984 6.925 -12.284 1.00 0.00 C ATOM 665 OD1 ASN A 41 4.926 7.652 -13.257 1.00 0.00 O ATOM 666 ND2 ASN A 41 4.884 7.441 -11.084 1.00 0.00 N ATOM 0 H ASN A 41 3.071 4.570 -11.506 1.00 0.00 H new ATOM 0 HA ASN A 41 3.734 5.625 -14.083 1.00 0.00 H new ATOM 0 HB2 ASN A 41 5.128 4.917 -11.488 1.00 0.00 H new ATOM 0 HB3 ASN A 41 6.157 5.204 -12.876 1.00 0.00 H new ATOM 0 HD21 ASN A 41 4.758 8.447 -10.970 1.00 0.00 H new ATOM 0 HD22 ASN A 41 4.932 6.837 -10.264 1.00 0.00 H new ATOM 673 N GLY A 42 4.689 2.497 -13.649 1.00 0.00 N ATOM 674 CA GLY A 42 5.226 1.341 -14.440 1.00 0.00 C ATOM 675 C GLY A 42 4.981 0.018 -13.699 1.00 0.00 C ATOM 676 O GLY A 42 4.325 -0.869 -14.212 1.00 0.00 O ATOM 0 H GLY A 42 4.396 2.280 -12.697 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.747 1.310 -15.419 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.294 1.476 -14.611 1.00 0.00 H new ATOM 680 N GLY A 43 5.506 -0.124 -12.502 1.00 0.00 N ATOM 681 CA GLY A 43 5.303 -1.389 -11.745 1.00 0.00 C ATOM 682 C GLY A 43 6.641 -2.129 -11.624 1.00 0.00 C ATOM 683 O GLY A 43 6.762 -3.270 -12.030 1.00 0.00 O ATOM 0 H GLY A 43 6.064 0.583 -12.024 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.903 -1.173 -10.754 1.00 0.00 H new ATOM 0 HA3 GLY A 43 4.572 -2.017 -12.254 1.00 0.00 H new ATOM 687 N THR A 44 7.645 -1.495 -11.059 1.00 0.00 N ATOM 688 CA THR A 44 8.967 -2.163 -10.901 1.00 0.00 C ATOM 689 C THR A 44 9.338 -2.189 -9.411 1.00 0.00 C ATOM 690 O THR A 44 9.555 -1.154 -8.814 1.00 0.00 O ATOM 691 CB THR A 44 9.940 -1.282 -11.688 1.00 0.00 C ATOM 692 OG1 THR A 44 9.646 0.089 -11.439 1.00 0.00 O ATOM 693 CG2 THR A 44 9.793 -1.568 -13.183 1.00 0.00 C ATOM 0 H THR A 44 7.599 -0.541 -10.701 1.00 0.00 H new ATOM 0 HA THR A 44 8.977 -3.193 -11.259 1.00 0.00 H new ATOM 0 HB THR A 44 10.961 -1.500 -11.374 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.656 0.255 -10.473 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.486 -0.940 -13.743 1.00 0.00 H new ATOM 0 HG22 THR A 44 10.016 -2.617 -13.376 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.772 -1.350 -13.496 1.00 0.00 H new ATOM 701 N VAL A 45 9.399 -3.354 -8.795 1.00 0.00 N ATOM 702 CA VAL A 45 9.737 -3.398 -7.321 1.00 0.00 C ATOM 703 C VAL A 45 11.064 -2.665 -7.039 1.00 0.00 C ATOM 704 O VAL A 45 11.216 -2.054 -5.999 1.00 0.00 O ATOM 705 CB VAL A 45 9.842 -4.884 -6.918 1.00 0.00 C ATOM 706 CG1 VAL A 45 10.226 -4.995 -5.437 1.00 0.00 C ATOM 707 CG2 VAL A 45 8.488 -5.573 -7.132 1.00 0.00 C ATOM 0 H VAL A 45 9.234 -4.259 -9.235 1.00 0.00 H new ATOM 0 HA VAL A 45 8.964 -2.895 -6.740 1.00 0.00 H new ATOM 0 HB VAL A 45 10.604 -5.364 -7.532 1.00 0.00 H new ATOM 0 HG11 VAL A 45 10.299 -6.046 -5.158 1.00 0.00 H new ATOM 0 HG12 VAL A 45 11.188 -4.509 -5.273 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.465 -4.509 -4.826 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.565 -6.622 -6.847 1.00 0.00 H new ATOM 0 HG22 VAL A 45 7.730 -5.085 -6.519 1.00 0.00 H new ATOM 0 HG23 VAL A 45 8.206 -5.502 -8.182 1.00 0.00 H new ATOM 717 N GLU A 46 12.020 -2.711 -7.942 1.00 0.00 N ATOM 718 CA GLU A 46 13.319 -1.998 -7.669 1.00 0.00 C ATOM 719 C GLU A 46 13.093 -0.483 -7.667 1.00 0.00 C ATOM 720 O GLU A 46 13.408 0.184 -6.698 1.00 0.00 O ATOM 721 CB GLU A 46 14.295 -2.396 -8.788 1.00 0.00 C ATOM 722 CG GLU A 46 15.722 -2.025 -8.377 1.00 0.00 C ATOM 723 CD GLU A 46 16.058 -0.628 -8.900 1.00 0.00 C ATOM 724 OE1 GLU A 46 15.720 0.333 -8.227 1.00 0.00 O ATOM 725 OE2 GLU A 46 16.647 -0.541 -9.965 1.00 0.00 O ATOM 0 H GLU A 46 11.963 -3.198 -8.836 1.00 0.00 H new ATOM 0 HA GLU A 46 13.721 -2.274 -6.694 1.00 0.00 H new ATOM 0 HB2 GLU A 46 14.227 -3.467 -8.980 1.00 0.00 H new ATOM 0 HB3 GLU A 46 14.029 -1.888 -9.715 1.00 0.00 H new ATOM 0 HG2 GLU A 46 15.817 -2.051 -7.291 1.00 0.00 H new ATOM 0 HG3 GLU A 46 16.428 -2.754 -8.776 1.00 0.00 H new ATOM 732 N SER A 47 12.534 0.068 -8.724 1.00 0.00 N ATOM 733 CA SER A 47 12.284 1.554 -8.725 1.00 0.00 C ATOM 734 C SER A 47 11.179 1.879 -7.707 1.00 0.00 C ATOM 735 O SER A 47 11.245 2.884 -7.024 1.00 0.00 O ATOM 736 CB SER A 47 11.853 1.954 -10.145 1.00 0.00 C ATOM 737 OG SER A 47 12.596 3.097 -10.554 1.00 0.00 O ATOM 0 H SER A 47 12.246 -0.430 -9.566 1.00 0.00 H new ATOM 0 HA SER A 47 13.180 2.107 -8.444 1.00 0.00 H new ATOM 0 HB2 SER A 47 12.023 1.128 -10.836 1.00 0.00 H new ATOM 0 HB3 SER A 47 10.785 2.173 -10.166 1.00 0.00 H new ATOM 0 HG SER A 47 12.622 3.749 -9.823 1.00 0.00 H new ATOM 743 N VAL A 48 10.174 1.032 -7.582 1.00 0.00 N ATOM 744 CA VAL A 48 9.088 1.315 -6.579 1.00 0.00 C ATOM 745 C VAL A 48 9.665 1.224 -5.157 1.00 0.00 C ATOM 746 O VAL A 48 9.317 2.017 -4.301 1.00 0.00 O ATOM 747 CB VAL A 48 7.979 0.261 -6.794 1.00 0.00 C ATOM 748 CG1 VAL A 48 6.852 0.478 -5.779 1.00 0.00 C ATOM 749 CG2 VAL A 48 7.403 0.402 -8.207 1.00 0.00 C ATOM 0 H VAL A 48 10.061 0.173 -8.121 1.00 0.00 H new ATOM 0 HA VAL A 48 8.679 2.317 -6.708 1.00 0.00 H new ATOM 0 HB VAL A 48 8.406 -0.733 -6.663 1.00 0.00 H new ATOM 0 HG11 VAL A 48 6.073 -0.268 -5.935 1.00 0.00 H new ATOM 0 HG12 VAL A 48 7.249 0.382 -4.768 1.00 0.00 H new ATOM 0 HG13 VAL A 48 6.431 1.475 -5.910 1.00 0.00 H new ATOM 0 HG21 VAL A 48 6.621 -0.342 -8.357 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.983 1.400 -8.331 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.195 0.249 -8.940 1.00 0.00 H new ATOM 759 N VAL A 49 10.564 0.293 -4.897 1.00 0.00 N ATOM 760 CA VAL A 49 11.163 0.218 -3.518 1.00 0.00 C ATOM 761 C VAL A 49 12.218 1.330 -3.379 1.00 0.00 C ATOM 762 O VAL A 49 12.331 1.949 -2.338 1.00 0.00 O ATOM 763 CB VAL A 49 11.791 -1.186 -3.375 1.00 0.00 C ATOM 764 CG1 VAL A 49 12.599 -1.278 -2.074 1.00 0.00 C ATOM 765 CG2 VAL A 49 10.675 -2.235 -3.341 1.00 0.00 C ATOM 0 H VAL A 49 10.902 -0.402 -5.563 1.00 0.00 H new ATOM 0 HA VAL A 49 10.420 0.364 -2.734 1.00 0.00 H new ATOM 0 HB VAL A 49 12.454 -1.365 -4.222 1.00 0.00 H new ATOM 0 HG11 VAL A 49 13.036 -2.273 -1.987 1.00 0.00 H new ATOM 0 HG12 VAL A 49 13.394 -0.532 -2.086 1.00 0.00 H new ATOM 0 HG13 VAL A 49 11.942 -1.094 -1.224 1.00 0.00 H new ATOM 0 HG21 VAL A 49 11.112 -3.228 -3.240 1.00 0.00 H new ATOM 0 HG22 VAL A 49 10.018 -2.040 -2.493 1.00 0.00 H new ATOM 0 HG23 VAL A 49 10.099 -2.184 -4.265 1.00 0.00 H new ATOM 775 N ASP A 50 12.975 1.602 -4.424 1.00 0.00 N ATOM 776 CA ASP A 50 14.000 2.701 -4.332 1.00 0.00 C ATOM 777 C ASP A 50 13.295 4.061 -4.213 1.00 0.00 C ATOM 778 O ASP A 50 13.759 4.936 -3.506 1.00 0.00 O ATOM 779 CB ASP A 50 14.836 2.644 -5.621 1.00 0.00 C ATOM 780 CG ASP A 50 15.889 1.541 -5.499 1.00 0.00 C ATOM 781 OD1 ASP A 50 15.516 0.427 -5.170 1.00 0.00 O ATOM 782 OD2 ASP A 50 17.050 1.830 -5.736 1.00 0.00 O ATOM 0 H ASP A 50 12.929 1.120 -5.322 1.00 0.00 H new ATOM 0 HA ASP A 50 14.635 2.575 -3.455 1.00 0.00 H new ATOM 0 HB2 ASP A 50 14.190 2.451 -6.478 1.00 0.00 H new ATOM 0 HB3 ASP A 50 15.320 3.605 -5.796 1.00 0.00 H new ATOM 787 N GLU A 51 12.174 4.251 -4.887 1.00 0.00 N ATOM 788 CA GLU A 51 11.462 5.575 -4.776 1.00 0.00 C ATOM 789 C GLU A 51 10.840 5.707 -3.381 1.00 0.00 C ATOM 790 O GLU A 51 10.911 6.755 -2.768 1.00 0.00 O ATOM 791 CB GLU A 51 10.364 5.601 -5.857 1.00 0.00 C ATOM 792 CG GLU A 51 10.868 6.367 -7.083 1.00 0.00 C ATOM 793 CD GLU A 51 11.322 5.378 -8.159 1.00 0.00 C ATOM 794 OE1 GLU A 51 10.466 4.845 -8.846 1.00 0.00 O ATOM 795 OE2 GLU A 51 12.518 5.169 -8.277 1.00 0.00 O ATOM 0 H GLU A 51 11.731 3.563 -5.496 1.00 0.00 H new ATOM 0 HA GLU A 51 12.153 6.405 -4.920 1.00 0.00 H new ATOM 0 HB2 GLU A 51 10.092 4.584 -6.138 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.464 6.075 -5.464 1.00 0.00 H new ATOM 0 HG2 GLU A 51 10.077 7.007 -7.474 1.00 0.00 H new ATOM 0 HG3 GLU A 51 11.695 7.018 -6.802 1.00 0.00 H new ATOM 802 N LEU A 52 10.248 4.651 -2.866 1.00 0.00 N ATOM 803 CA LEU A 52 9.647 4.739 -1.491 1.00 0.00 C ATOM 804 C LEU A 52 10.772 4.828 -0.450 1.00 0.00 C ATOM 805 O LEU A 52 10.654 5.544 0.524 1.00 0.00 O ATOM 806 CB LEU A 52 8.815 3.466 -1.277 1.00 0.00 C ATOM 807 CG LEU A 52 7.613 3.483 -2.223 1.00 0.00 C ATOM 808 CD1 LEU A 52 7.032 2.073 -2.335 1.00 0.00 C ATOM 809 CD2 LEU A 52 6.546 4.434 -1.674 1.00 0.00 C ATOM 0 H LEU A 52 10.155 3.747 -3.328 1.00 0.00 H new ATOM 0 HA LEU A 52 9.018 5.623 -1.387 1.00 0.00 H new ATOM 0 HB2 LEU A 52 9.426 2.583 -1.463 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.477 3.408 -0.242 1.00 0.00 H new ATOM 0 HG LEU A 52 7.930 3.823 -3.209 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.175 2.085 -3.009 1.00 0.00 H new ATOM 0 HD12 LEU A 52 7.792 1.396 -2.726 1.00 0.00 H new ATOM 0 HD13 LEU A 52 6.714 1.731 -1.350 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.689 4.447 -2.347 1.00 0.00 H new ATOM 0 HD22 LEU A 52 6.228 4.094 -0.688 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.960 5.439 -1.595 1.00 0.00 H new ATOM 821 N ALA A 53 11.869 4.123 -0.652 1.00 0.00 N ATOM 822 CA ALA A 53 12.996 4.208 0.341 1.00 0.00 C ATOM 823 C ALA A 53 13.577 5.631 0.338 1.00 0.00 C ATOM 824 O ALA A 53 13.907 6.169 1.379 1.00 0.00 O ATOM 825 CB ALA A 53 14.064 3.195 -0.104 1.00 0.00 C ATOM 0 H ALA A 53 12.030 3.504 -1.446 1.00 0.00 H new ATOM 0 HA ALA A 53 12.653 3.984 1.351 1.00 0.00 H new ATOM 0 HB1 ALA A 53 14.904 3.223 0.591 1.00 0.00 H new ATOM 0 HB2 ALA A 53 13.634 2.193 -0.114 1.00 0.00 H new ATOM 0 HB3 ALA A 53 14.413 3.450 -1.105 1.00 0.00 H new ATOM 831 N SER A 54 13.696 6.252 -0.819 1.00 0.00 N ATOM 832 CA SER A 54 14.249 7.657 -0.860 1.00 0.00 C ATOM 833 C SER A 54 13.380 8.598 -0.004 1.00 0.00 C ATOM 834 O SER A 54 13.886 9.516 0.614 1.00 0.00 O ATOM 835 CB SER A 54 14.222 8.104 -2.329 1.00 0.00 C ATOM 836 OG SER A 54 14.930 7.159 -3.120 1.00 0.00 O ATOM 0 H SER A 54 13.440 5.857 -1.724 1.00 0.00 H new ATOM 0 HA SER A 54 15.263 7.687 -0.460 1.00 0.00 H new ATOM 0 HB2 SER A 54 13.192 8.188 -2.677 1.00 0.00 H new ATOM 0 HB3 SER A 54 14.674 9.091 -2.429 1.00 0.00 H new ATOM 0 HG SER A 54 14.295 6.541 -3.538 1.00 0.00 H new ATOM 842 N LEU A 55 12.081 8.373 0.049 1.00 0.00 N ATOM 843 CA LEU A 55 11.200 9.261 0.882 1.00 0.00 C ATOM 844 C LEU A 55 11.023 8.640 2.275 1.00 0.00 C ATOM 845 O LEU A 55 11.088 9.325 3.279 1.00 0.00 O ATOM 846 CB LEU A 55 9.850 9.341 0.145 1.00 0.00 C ATOM 847 CG LEU A 55 9.525 10.796 -0.201 1.00 0.00 C ATOM 848 CD1 LEU A 55 10.571 11.340 -1.177 1.00 0.00 C ATOM 849 CD2 LEU A 55 8.142 10.863 -0.852 1.00 0.00 C ATOM 0 H LEU A 55 11.599 7.621 -0.444 1.00 0.00 H new ATOM 0 HA LEU A 55 11.627 10.255 1.014 1.00 0.00 H new ATOM 0 HB2 LEU A 55 9.888 8.742 -0.765 1.00 0.00 H new ATOM 0 HB3 LEU A 55 9.061 8.922 0.769 1.00 0.00 H new ATOM 0 HG LEU A 55 9.534 11.396 0.709 1.00 0.00 H new ATOM 0 HD11 LEU A 55 10.337 12.376 -1.421 1.00 0.00 H new ATOM 0 HD12 LEU A 55 11.558 11.290 -0.718 1.00 0.00 H new ATOM 0 HD13 LEU A 55 10.564 10.742 -2.088 1.00 0.00 H new ATOM 0 HD21 LEU A 55 7.906 11.898 -1.100 1.00 0.00 H new ATOM 0 HD22 LEU A 55 8.138 10.262 -1.761 1.00 0.00 H new ATOM 0 HD23 LEU A 55 7.395 10.477 -0.159 1.00 0.00 H new ATOM 861 N PHE A 56 10.814 7.344 2.345 1.00 0.00 N ATOM 862 CA PHE A 56 10.651 6.674 3.670 1.00 0.00 C ATOM 863 C PHE A 56 11.883 5.800 3.950 1.00 0.00 C ATOM 864 O PHE A 56 11.830 4.590 3.825 1.00 0.00 O ATOM 865 CB PHE A 56 9.394 5.802 3.545 1.00 0.00 C ATOM 866 CG PHE A 56 8.203 6.662 3.191 1.00 0.00 C ATOM 867 CD1 PHE A 56 7.695 7.575 4.122 1.00 0.00 C ATOM 868 CD2 PHE A 56 7.609 6.545 1.928 1.00 0.00 C ATOM 869 CE1 PHE A 56 6.591 8.369 3.793 1.00 0.00 C ATOM 870 CE2 PHE A 56 6.506 7.340 1.599 1.00 0.00 C ATOM 871 CZ PHE A 56 5.997 8.251 2.530 1.00 0.00 C ATOM 0 H PHE A 56 10.750 6.724 1.538 1.00 0.00 H new ATOM 0 HA PHE A 56 10.555 7.389 4.487 1.00 0.00 H new ATOM 0 HB2 PHE A 56 9.544 5.041 2.779 1.00 0.00 H new ATOM 0 HB3 PHE A 56 9.209 5.279 4.483 1.00 0.00 H new ATOM 0 HD1 PHE A 56 8.155 7.667 5.095 1.00 0.00 H new ATOM 0 HD2 PHE A 56 8.002 5.842 1.209 1.00 0.00 H new ATOM 0 HE1 PHE A 56 6.197 9.072 4.512 1.00 0.00 H new ATOM 0 HE2 PHE A 56 6.047 7.250 0.625 1.00 0.00 H new ATOM 0 HZ PHE A 56 5.145 8.864 2.275 1.00 0.00 H new ATOM 881 N ASP A 57 12.996 6.398 4.330 1.00 0.00 N ATOM 882 CA ASP A 57 14.222 5.580 4.614 1.00 0.00 C ATOM 883 C ASP A 57 14.412 5.372 6.130 1.00 0.00 C ATOM 884 O ASP A 57 15.522 5.187 6.591 1.00 0.00 O ATOM 885 CB ASP A 57 15.397 6.378 4.036 1.00 0.00 C ATOM 886 CG ASP A 57 16.529 5.421 3.659 1.00 0.00 C ATOM 887 OD1 ASP A 57 16.808 4.527 4.442 1.00 0.00 O ATOM 888 OD2 ASP A 57 17.099 5.596 2.595 1.00 0.00 O ATOM 0 H ASP A 57 13.105 7.405 4.454 1.00 0.00 H new ATOM 0 HA ASP A 57 14.145 4.588 4.169 1.00 0.00 H new ATOM 0 HB2 ASP A 57 15.073 6.938 3.159 1.00 0.00 H new ATOM 0 HB3 ASP A 57 15.750 7.106 4.767 1.00 0.00 H new ATOM 893 N SER A 58 13.346 5.385 6.911 1.00 0.00 N ATOM 894 CA SER A 58 13.501 5.167 8.390 1.00 0.00 C ATOM 895 C SER A 58 13.199 3.702 8.748 1.00 0.00 C ATOM 896 O SER A 58 13.854 3.123 9.596 1.00 0.00 O ATOM 897 CB SER A 58 12.491 6.105 9.062 1.00 0.00 C ATOM 898 OG SER A 58 13.021 7.425 9.088 1.00 0.00 O ATOM 0 H SER A 58 12.389 5.535 6.590 1.00 0.00 H new ATOM 0 HA SER A 58 14.518 5.375 8.722 1.00 0.00 H new ATOM 0 HB2 SER A 58 11.546 6.091 8.518 1.00 0.00 H new ATOM 0 HB3 SER A 58 12.280 5.765 10.076 1.00 0.00 H new ATOM 0 HG SER A 58 12.377 8.028 9.515 1.00 0.00 H new ATOM 904 N VAL A 59 12.219 3.092 8.111 1.00 0.00 N ATOM 905 CA VAL A 59 11.896 1.656 8.427 1.00 0.00 C ATOM 906 C VAL A 59 12.744 0.712 7.558 1.00 0.00 C ATOM 907 O VAL A 59 13.226 1.092 6.508 1.00 0.00 O ATOM 908 CB VAL A 59 10.392 1.469 8.141 1.00 0.00 C ATOM 909 CG1 VAL A 59 10.095 1.646 6.642 1.00 0.00 C ATOM 910 CG2 VAL A 59 9.972 0.066 8.586 1.00 0.00 C ATOM 0 H VAL A 59 11.635 3.521 7.394 1.00 0.00 H new ATOM 0 HA VAL A 59 12.122 1.419 9.467 1.00 0.00 H new ATOM 0 HB VAL A 59 9.830 2.222 8.693 1.00 0.00 H new ATOM 0 HG11 VAL A 59 9.028 1.510 6.464 1.00 0.00 H new ATOM 0 HG12 VAL A 59 10.390 2.647 6.328 1.00 0.00 H new ATOM 0 HG13 VAL A 59 10.656 0.907 6.070 1.00 0.00 H new ATOM 0 HG21 VAL A 59 8.910 -0.076 8.388 1.00 0.00 H new ATOM 0 HG22 VAL A 59 10.547 -0.678 8.034 1.00 0.00 H new ATOM 0 HG23 VAL A 59 10.160 -0.049 9.653 1.00 0.00 H new ATOM 920 N SER A 60 12.936 -0.517 7.995 1.00 0.00 N ATOM 921 CA SER A 60 13.769 -1.485 7.186 1.00 0.00 C ATOM 922 C SER A 60 13.230 -1.602 5.747 1.00 0.00 C ATOM 923 O SER A 60 12.034 -1.614 5.529 1.00 0.00 O ATOM 924 CB SER A 60 13.672 -2.845 7.892 1.00 0.00 C ATOM 925 OG SER A 60 13.385 -2.640 9.268 1.00 0.00 O ATOM 0 H SER A 60 12.558 -0.891 8.866 1.00 0.00 H new ATOM 0 HA SER A 60 14.801 -1.141 7.120 1.00 0.00 H new ATOM 0 HB2 SER A 60 12.892 -3.451 7.432 1.00 0.00 H new ATOM 0 HB3 SER A 60 14.608 -3.393 7.782 1.00 0.00 H new ATOM 0 HG SER A 60 12.418 -2.702 9.413 1.00 0.00 H new ATOM 931 N ARG A 61 14.107 -1.695 4.763 1.00 0.00 N ATOM 932 CA ARG A 61 13.637 -1.818 3.332 1.00 0.00 C ATOM 933 C ARG A 61 12.636 -2.976 3.179 1.00 0.00 C ATOM 934 O ARG A 61 11.720 -2.901 2.381 1.00 0.00 O ATOM 935 CB ARG A 61 14.887 -2.097 2.481 1.00 0.00 C ATOM 936 CG ARG A 61 15.551 -0.773 2.097 1.00 0.00 C ATOM 937 CD ARG A 61 15.063 -0.337 0.713 1.00 0.00 C ATOM 938 NE ARG A 61 16.260 0.255 0.053 1.00 0.00 N ATOM 939 CZ ARG A 61 17.109 -0.516 -0.571 1.00 0.00 C ATOM 940 NH1 ARG A 61 16.689 -1.339 -1.492 1.00 0.00 N ATOM 941 NH2 ARG A 61 18.378 -0.464 -0.271 1.00 0.00 N ATOM 0 H ARG A 61 15.120 -1.691 4.886 1.00 0.00 H new ATOM 0 HA ARG A 61 13.131 -0.905 3.017 1.00 0.00 H new ATOM 0 HB2 ARG A 61 15.588 -2.719 3.038 1.00 0.00 H new ATOM 0 HB3 ARG A 61 14.612 -2.652 1.584 1.00 0.00 H new ATOM 0 HG2 ARG A 61 15.313 -0.007 2.836 1.00 0.00 H new ATOM 0 HG3 ARG A 61 16.635 -0.886 2.093 1.00 0.00 H new ATOM 0 HD2 ARG A 61 14.677 -1.184 0.145 1.00 0.00 H new ATOM 0 HD3 ARG A 61 14.254 0.390 0.790 1.00 0.00 H new ATOM 0 HE ARG A 61 16.416 1.262 0.089 1.00 0.00 H new ATOM 0 HH11 ARG A 61 15.697 -1.380 -1.725 1.00 0.00 H new ATOM 0 HH12 ARG A 61 17.353 -1.941 -1.979 1.00 0.00 H new ATOM 0 HH21 ARG A 61 18.706 0.178 0.450 1.00 0.00 H new ATOM 0 HH22 ARG A 61 19.042 -1.066 -0.758 1.00 0.00 H new ATOM 955 N ASP A 62 12.801 -4.047 3.929 1.00 0.00 N ATOM 956 CA ASP A 62 11.840 -5.205 3.800 1.00 0.00 C ATOM 957 C ASP A 62 10.400 -4.741 4.066 1.00 0.00 C ATOM 958 O ASP A 62 9.476 -5.180 3.406 1.00 0.00 O ATOM 959 CB ASP A 62 12.260 -6.251 4.845 1.00 0.00 C ATOM 960 CG ASP A 62 11.860 -7.647 4.361 1.00 0.00 C ATOM 961 OD1 ASP A 62 10.764 -7.781 3.843 1.00 0.00 O ATOM 962 OD2 ASP A 62 12.657 -8.557 4.516 1.00 0.00 O ATOM 0 H ASP A 62 13.546 -4.172 4.615 1.00 0.00 H new ATOM 0 HA ASP A 62 11.870 -5.622 2.793 1.00 0.00 H new ATOM 0 HB2 ASP A 62 13.337 -6.206 5.008 1.00 0.00 H new ATOM 0 HB3 ASP A 62 11.784 -6.036 5.802 1.00 0.00 H new ATOM 967 N THR A 63 10.198 -3.858 5.022 1.00 0.00 N ATOM 968 CA THR A 63 8.796 -3.381 5.304 1.00 0.00 C ATOM 969 C THR A 63 8.253 -2.619 4.085 1.00 0.00 C ATOM 970 O THR A 63 7.110 -2.789 3.707 1.00 0.00 O ATOM 971 CB THR A 63 8.878 -2.457 6.535 1.00 0.00 C ATOM 972 OG1 THR A 63 9.351 -3.205 7.648 1.00 0.00 O ATOM 973 CG2 THR A 63 7.490 -1.890 6.852 1.00 0.00 C ATOM 0 H THR A 63 10.926 -3.453 5.610 1.00 0.00 H new ATOM 0 HA THR A 63 8.122 -4.215 5.499 1.00 0.00 H new ATOM 0 HB THR A 63 9.561 -1.633 6.327 1.00 0.00 H new ATOM 0 HG1 THR A 63 9.407 -2.622 8.434 1.00 0.00 H new ATOM 0 HG21 THR A 63 7.554 -1.238 7.723 1.00 0.00 H new ATOM 0 HG22 THR A 63 7.126 -1.320 5.997 1.00 0.00 H new ATOM 0 HG23 THR A 63 6.802 -2.709 7.062 1.00 0.00 H new ATOM 981 N LEU A 64 9.064 -1.791 3.461 1.00 0.00 N ATOM 982 CA LEU A 64 8.566 -1.039 2.256 1.00 0.00 C ATOM 983 C LEU A 64 8.291 -2.036 1.127 1.00 0.00 C ATOM 984 O LEU A 64 7.261 -1.980 0.480 1.00 0.00 O ATOM 985 CB LEU A 64 9.679 -0.060 1.839 1.00 0.00 C ATOM 986 CG LEU A 64 9.964 0.932 2.982 1.00 0.00 C ATOM 987 CD1 LEU A 64 11.412 0.778 3.454 1.00 0.00 C ATOM 988 CD2 LEU A 64 9.750 2.366 2.486 1.00 0.00 C ATOM 0 H LEU A 64 10.031 -1.605 3.726 1.00 0.00 H new ATOM 0 HA LEU A 64 7.646 -0.497 2.475 1.00 0.00 H new ATOM 0 HB2 LEU A 64 10.586 -0.612 1.591 1.00 0.00 H new ATOM 0 HB3 LEU A 64 9.380 0.482 0.942 1.00 0.00 H new ATOM 0 HG LEU A 64 9.286 0.723 3.809 1.00 0.00 H new ATOM 0 HD11 LEU A 64 11.608 1.482 4.263 1.00 0.00 H new ATOM 0 HD12 LEU A 64 11.572 -0.239 3.812 1.00 0.00 H new ATOM 0 HD13 LEU A 64 12.089 0.981 2.624 1.00 0.00 H new ATOM 0 HD21 LEU A 64 9.952 3.066 3.297 1.00 0.00 H new ATOM 0 HD22 LEU A 64 10.426 2.568 1.655 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.719 2.486 2.153 1.00 0.00 H new ATOM 1000 N ALA A 65 9.199 -2.961 0.892 1.00 0.00 N ATOM 1001 CA ALA A 65 8.966 -3.978 -0.198 1.00 0.00 C ATOM 1002 C ALA A 65 7.657 -4.748 0.064 1.00 0.00 C ATOM 1003 O ALA A 65 6.955 -5.108 -0.862 1.00 0.00 O ATOM 1004 CB ALA A 65 10.161 -4.944 -0.166 1.00 0.00 C ATOM 0 H ALA A 65 10.079 -3.058 1.398 1.00 0.00 H new ATOM 0 HA ALA A 65 8.878 -3.494 -1.171 1.00 0.00 H new ATOM 0 HB1 ALA A 65 10.037 -5.701 -0.940 1.00 0.00 H new ATOM 0 HB2 ALA A 65 11.082 -4.389 -0.345 1.00 0.00 H new ATOM 0 HB3 ALA A 65 10.212 -5.427 0.810 1.00 0.00 H new ATOM 1010 N ASN A 66 7.320 -5.003 1.316 1.00 0.00 N ATOM 1011 CA ASN A 66 6.045 -5.752 1.606 1.00 0.00 C ATOM 1012 C ASN A 66 4.841 -4.965 1.073 1.00 0.00 C ATOM 1013 O ASN A 66 3.963 -5.529 0.445 1.00 0.00 O ATOM 1014 CB ASN A 66 5.949 -5.895 3.133 1.00 0.00 C ATOM 1015 CG ASN A 66 6.713 -7.148 3.581 1.00 0.00 C ATOM 1016 OD1 ASN A 66 6.064 -8.267 3.797 1.00 0.00 O flip ATOM 1017 ND2 ASN A 66 7.917 -7.110 3.735 1.00 0.00 N flip ATOM 0 H ASN A 66 7.863 -4.730 2.135 1.00 0.00 H new ATOM 0 HA ASN A 66 6.046 -6.729 1.123 1.00 0.00 H new ATOM 0 HB2 ASN A 66 6.363 -5.011 3.618 1.00 0.00 H new ATOM 0 HB3 ASN A 66 4.905 -5.965 3.437 1.00 0.00 H new ATOM 0 HD21 ASN A 66 8.425 -6.242 3.568 1.00 0.00 H new ATOM 0 HD22 ASN A 66 8.420 -7.946 4.031 1.00 0.00 H new ATOM 1024 N VAL A 67 4.789 -3.665 1.301 1.00 0.00 N ATOM 1025 CA VAL A 67 3.621 -2.871 0.774 1.00 0.00 C ATOM 1026 C VAL A 67 3.704 -2.798 -0.762 1.00 0.00 C ATOM 1027 O VAL A 67 2.701 -2.896 -1.442 1.00 0.00 O ATOM 1028 CB VAL A 67 3.708 -1.470 1.400 1.00 0.00 C ATOM 1029 CG1 VAL A 67 2.536 -0.617 0.909 1.00 0.00 C ATOM 1030 CG2 VAL A 67 3.636 -1.592 2.926 1.00 0.00 C ATOM 0 H VAL A 67 5.488 -3.130 1.817 1.00 0.00 H new ATOM 0 HA VAL A 67 2.669 -3.336 1.033 1.00 0.00 H new ATOM 0 HB VAL A 67 4.648 -1.001 1.111 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.598 0.376 1.353 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.577 -0.532 -0.177 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.597 -1.087 1.201 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.697 -0.600 3.374 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.693 -2.060 3.209 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.466 -2.203 3.282 1.00 0.00 H new ATOM 1040 N VAL A 68 4.891 -2.660 -1.320 1.00 0.00 N ATOM 1041 CA VAL A 68 5.003 -2.627 -2.823 1.00 0.00 C ATOM 1042 C VAL A 68 4.597 -4.006 -3.382 1.00 0.00 C ATOM 1043 O VAL A 68 3.981 -4.090 -4.427 1.00 0.00 O ATOM 1044 CB VAL A 68 6.479 -2.316 -3.147 1.00 0.00 C ATOM 1045 CG1 VAL A 68 6.711 -2.370 -4.661 1.00 0.00 C ATOM 1046 CG2 VAL A 68 6.824 -0.914 -2.636 1.00 0.00 C ATOM 0 H VAL A 68 5.771 -2.570 -0.812 1.00 0.00 H new ATOM 0 HA VAL A 68 4.352 -1.876 -3.270 1.00 0.00 H new ATOM 0 HB VAL A 68 7.113 -3.058 -2.661 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.756 -2.149 -4.877 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.467 -3.366 -5.031 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.075 -1.634 -5.153 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.866 -0.690 -2.863 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.181 -0.181 -3.123 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.670 -0.872 -1.558 1.00 0.00 H new ATOM 1056 N GLN A 69 4.930 -5.087 -2.694 1.00 0.00 N ATOM 1057 CA GLN A 69 4.543 -6.448 -3.212 1.00 0.00 C ATOM 1058 C GLN A 69 3.016 -6.580 -3.265 1.00 0.00 C ATOM 1059 O GLN A 69 2.467 -6.991 -4.270 1.00 0.00 O ATOM 1060 CB GLN A 69 5.131 -7.483 -2.238 1.00 0.00 C ATOM 1061 CG GLN A 69 5.466 -8.768 -2.998 1.00 0.00 C ATOM 1062 CD GLN A 69 6.704 -9.423 -2.375 1.00 0.00 C ATOM 1063 OE1 GLN A 69 6.645 -10.554 -1.934 1.00 0.00 O ATOM 1064 NE2 GLN A 69 7.834 -8.761 -2.317 1.00 0.00 N ATOM 0 H GLN A 69 5.443 -5.084 -1.813 1.00 0.00 H new ATOM 0 HA GLN A 69 4.925 -6.602 -4.221 1.00 0.00 H new ATOM 0 HB2 GLN A 69 6.028 -7.084 -1.765 1.00 0.00 H new ATOM 0 HB3 GLN A 69 4.418 -7.695 -1.442 1.00 0.00 H new ATOM 0 HG2 GLN A 69 4.621 -9.455 -2.962 1.00 0.00 H new ATOM 0 HG3 GLN A 69 5.650 -8.544 -4.049 1.00 0.00 H new ATOM 0 HE21 GLN A 69 7.888 -7.812 -2.686 1.00 0.00 H new ATOM 0 HE22 GLN A 69 8.659 -9.195 -1.903 1.00 0.00 H new ATOM 1073 N THR A 70 2.321 -6.234 -2.200 1.00 0.00 N ATOM 1074 CA THR A 70 0.817 -6.352 -2.235 1.00 0.00 C ATOM 1075 C THR A 70 0.237 -5.461 -3.350 1.00 0.00 C ATOM 1076 O THR A 70 -0.786 -5.786 -3.923 1.00 0.00 O ATOM 1077 CB THR A 70 0.282 -5.932 -0.852 1.00 0.00 C ATOM 1078 OG1 THR A 70 -1.133 -6.052 -0.842 1.00 0.00 O ATOM 1079 CG2 THR A 70 0.668 -4.486 -0.545 1.00 0.00 C ATOM 0 H THR A 70 2.716 -5.883 -1.327 1.00 0.00 H new ATOM 0 HA THR A 70 0.516 -7.377 -2.452 1.00 0.00 H new ATOM 0 HB THR A 70 0.719 -6.581 -0.093 1.00 0.00 H new ATOM 0 HG1 THR A 70 -1.478 -5.787 0.036 1.00 0.00 H new ATOM 0 HG21 THR A 70 0.282 -4.207 0.435 1.00 0.00 H new ATOM 0 HG22 THR A 70 1.754 -4.391 -0.548 1.00 0.00 H new ATOM 0 HG23 THR A 70 0.244 -3.827 -1.303 1.00 0.00 H new ATOM 1087 N ALA A 71 0.882 -4.354 -3.686 1.00 0.00 N ATOM 1088 CA ALA A 71 0.335 -3.492 -4.795 1.00 0.00 C ATOM 1089 C ALA A 71 0.381 -4.291 -6.105 1.00 0.00 C ATOM 1090 O ALA A 71 -0.562 -4.280 -6.874 1.00 0.00 O ATOM 1091 CB ALA A 71 1.232 -2.246 -4.896 1.00 0.00 C ATOM 0 H ALA A 71 1.742 -4.019 -3.251 1.00 0.00 H new ATOM 0 HA ALA A 71 -0.695 -3.194 -4.601 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.865 -1.597 -5.691 1.00 0.00 H new ATOM 0 HB2 ALA A 71 1.213 -1.706 -3.949 1.00 0.00 H new ATOM 0 HB3 ALA A 71 2.254 -2.551 -5.119 1.00 0.00 H new ATOM 1097 N PHE A 72 1.464 -5.005 -6.359 1.00 0.00 N ATOM 1098 CA PHE A 72 1.536 -5.822 -7.622 1.00 0.00 C ATOM 1099 C PHE A 72 0.455 -6.905 -7.567 1.00 0.00 C ATOM 1100 O PHE A 72 -0.325 -7.056 -8.489 1.00 0.00 O ATOM 1101 CB PHE A 72 2.935 -6.455 -7.667 1.00 0.00 C ATOM 1102 CG PHE A 72 3.926 -5.409 -8.101 1.00 0.00 C ATOM 1103 CD1 PHE A 72 3.937 -4.971 -9.428 1.00 0.00 C ATOM 1104 CD2 PHE A 72 4.827 -4.867 -7.177 1.00 0.00 C ATOM 1105 CE1 PHE A 72 4.845 -3.990 -9.832 1.00 0.00 C ATOM 1106 CE2 PHE A 72 5.737 -3.886 -7.583 1.00 0.00 C ATOM 1107 CZ PHE A 72 5.746 -3.446 -8.907 1.00 0.00 C ATOM 0 H PHE A 72 2.286 -5.056 -5.757 1.00 0.00 H new ATOM 0 HA PHE A 72 1.371 -5.215 -8.512 1.00 0.00 H new ATOM 0 HB2 PHE A 72 3.204 -6.846 -6.686 1.00 0.00 H new ATOM 0 HB3 PHE A 72 2.947 -7.297 -8.360 1.00 0.00 H new ATOM 0 HD1 PHE A 72 3.243 -5.391 -10.141 1.00 0.00 H new ATOM 0 HD2 PHE A 72 4.819 -5.206 -6.152 1.00 0.00 H new ATOM 0 HE1 PHE A 72 4.853 -3.651 -10.857 1.00 0.00 H new ATOM 0 HE2 PHE A 72 6.434 -3.469 -6.871 1.00 0.00 H new ATOM 0 HZ PHE A 72 6.447 -2.686 -9.219 1.00 0.00 H new ATOM 1117 N PHE A 73 0.381 -7.646 -6.478 1.00 0.00 N ATOM 1118 CA PHE A 73 -0.689 -8.699 -6.366 1.00 0.00 C ATOM 1119 C PHE A 73 -2.066 -8.014 -6.428 1.00 0.00 C ATOM 1120 O PHE A 73 -2.983 -8.518 -7.050 1.00 0.00 O ATOM 1121 CB PHE A 73 -0.485 -9.394 -5.005 1.00 0.00 C ATOM 1122 CG PHE A 73 -1.555 -10.440 -4.788 1.00 0.00 C ATOM 1123 CD1 PHE A 73 -1.792 -11.416 -5.764 1.00 0.00 C ATOM 1124 CD2 PHE A 73 -2.305 -10.432 -3.607 1.00 0.00 C ATOM 1125 CE1 PHE A 73 -2.784 -12.384 -5.558 1.00 0.00 C ATOM 1126 CE2 PHE A 73 -3.296 -11.400 -3.401 1.00 0.00 C ATOM 1127 CZ PHE A 73 -3.535 -12.375 -4.377 1.00 0.00 C ATOM 0 H PHE A 73 1.005 -7.569 -5.675 1.00 0.00 H new ATOM 0 HA PHE A 73 -0.635 -9.429 -7.174 1.00 0.00 H new ATOM 0 HB2 PHE A 73 0.500 -9.858 -4.970 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -0.519 -8.657 -4.203 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -1.211 -11.423 -6.674 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -2.120 -9.680 -2.855 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -2.969 -13.137 -6.310 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -3.876 -11.394 -2.490 1.00 0.00 H new ATOM 0 HZ PHE A 73 -4.300 -13.121 -4.218 1.00 0.00 H new ATOM 1137 N ALA A 74 -2.216 -6.859 -5.802 1.00 0.00 N ATOM 1138 CA ALA A 74 -3.543 -6.149 -5.857 1.00 0.00 C ATOM 1139 C ALA A 74 -3.901 -5.830 -7.315 1.00 0.00 C ATOM 1140 O ALA A 74 -5.045 -5.945 -7.710 1.00 0.00 O ATOM 1141 CB ALA A 74 -3.389 -4.849 -5.051 1.00 0.00 C ATOM 0 H ALA A 74 -1.489 -6.386 -5.265 1.00 0.00 H new ATOM 0 HA ALA A 74 -4.339 -6.768 -5.443 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.330 -4.299 -5.063 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.122 -5.089 -4.022 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.605 -4.236 -5.496 1.00 0.00 H new ATOM 1147 N LEU A 75 -2.934 -5.435 -8.127 1.00 0.00 N ATOM 1148 CA LEU A 75 -3.254 -5.121 -9.571 1.00 0.00 C ATOM 1149 C LEU A 75 -3.946 -6.328 -10.229 1.00 0.00 C ATOM 1150 O LEU A 75 -4.872 -6.166 -11.002 1.00 0.00 O ATOM 1151 CB LEU A 75 -1.917 -4.832 -10.286 1.00 0.00 C ATOM 1152 CG LEU A 75 -1.693 -3.317 -10.423 1.00 0.00 C ATOM 1153 CD1 LEU A 75 -2.840 -2.685 -11.222 1.00 0.00 C ATOM 1154 CD2 LEU A 75 -1.617 -2.672 -9.036 1.00 0.00 C ATOM 0 H LEU A 75 -1.957 -5.318 -7.860 1.00 0.00 H new ATOM 0 HA LEU A 75 -3.923 -4.264 -9.639 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.095 -5.277 -9.726 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -1.918 -5.296 -11.273 1.00 0.00 H new ATOM 0 HG LEU A 75 -0.754 -3.148 -10.950 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.672 -1.612 -11.313 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.881 -3.132 -12.215 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.784 -2.862 -10.706 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.458 -1.599 -9.142 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -2.550 -2.850 -8.501 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.789 -3.108 -8.477 1.00 0.00 H new ATOM 1166 N GLU A 76 -3.513 -7.534 -9.923 1.00 0.00 N ATOM 1167 CA GLU A 76 -4.176 -8.738 -10.539 1.00 0.00 C ATOM 1168 C GLU A 76 -5.603 -8.862 -9.995 1.00 0.00 C ATOM 1169 O GLU A 76 -6.542 -9.050 -10.748 1.00 0.00 O ATOM 1170 CB GLU A 76 -3.340 -9.965 -10.139 1.00 0.00 C ATOM 1171 CG GLU A 76 -2.136 -10.092 -11.075 1.00 0.00 C ATOM 1172 CD GLU A 76 -0.959 -9.303 -10.502 1.00 0.00 C ATOM 1173 OE1 GLU A 76 -0.248 -9.853 -9.677 1.00 0.00 O ATOM 1174 OE2 GLU A 76 -0.786 -8.162 -10.899 1.00 0.00 O ATOM 0 H GLU A 76 -2.743 -7.736 -9.285 1.00 0.00 H new ATOM 0 HA GLU A 76 -4.232 -8.654 -11.624 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -3.003 -9.867 -9.107 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -3.951 -10.866 -10.191 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -1.862 -11.140 -11.192 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -2.391 -9.717 -12.066 1.00 0.00 H new ATOM 1181 N ALA A 77 -5.780 -8.738 -8.698 1.00 0.00 N ATOM 1182 CA ALA A 77 -7.170 -8.828 -8.125 1.00 0.00 C ATOM 1183 C ALA A 77 -7.996 -7.625 -8.605 1.00 0.00 C ATOM 1184 O ALA A 77 -9.161 -7.759 -8.929 1.00 0.00 O ATOM 1185 CB ALA A 77 -7.027 -8.802 -6.595 1.00 0.00 C ATOM 0 H ALA A 77 -5.036 -8.581 -8.018 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.676 -9.738 -8.445 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -8.014 -8.865 -6.136 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -6.421 -9.649 -6.272 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.544 -7.873 -6.290 1.00 0.00 H new ATOM 1191 N LEU A 78 -7.397 -6.451 -8.669 1.00 0.00 N ATOM 1192 CA LEU A 78 -8.166 -5.247 -9.152 1.00 0.00 C ATOM 1193 C LEU A 78 -8.611 -5.456 -10.610 1.00 0.00 C ATOM 1194 O LEU A 78 -9.680 -5.022 -10.997 1.00 0.00 O ATOM 1195 CB LEU A 78 -7.214 -4.037 -9.064 1.00 0.00 C ATOM 1196 CG LEU A 78 -7.989 -2.798 -8.611 1.00 0.00 C ATOM 1197 CD1 LEU A 78 -7.019 -1.627 -8.441 1.00 0.00 C ATOM 1198 CD2 LEU A 78 -9.043 -2.436 -9.663 1.00 0.00 C ATOM 0 H LEU A 78 -6.426 -6.275 -8.413 1.00 0.00 H new ATOM 0 HA LEU A 78 -9.058 -5.088 -8.545 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.407 -4.248 -8.363 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.753 -3.854 -10.035 1.00 0.00 H new ATOM 0 HG LEU A 78 -8.482 -3.007 -7.662 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -7.569 -0.743 -8.118 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -6.269 -1.881 -7.692 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -6.527 -1.421 -9.392 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -9.593 -1.553 -9.338 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -8.552 -2.228 -10.613 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -9.734 -3.269 -9.787 1.00 0.00 H new ATOM 1210 N GLN A 79 -7.808 -6.118 -11.425 1.00 0.00 N ATOM 1211 CA GLN A 79 -8.220 -6.341 -12.857 1.00 0.00 C ATOM 1212 C GLN A 79 -9.199 -7.522 -12.952 1.00 0.00 C ATOM 1213 O GLN A 79 -10.142 -7.485 -13.721 1.00 0.00 O ATOM 1214 CB GLN A 79 -6.932 -6.647 -13.646 1.00 0.00 C ATOM 1215 CG GLN A 79 -6.930 -5.860 -14.957 1.00 0.00 C ATOM 1216 CD GLN A 79 -5.495 -5.761 -15.492 1.00 0.00 C ATOM 1217 OE1 GLN A 79 -5.217 -6.206 -16.587 1.00 0.00 O ATOM 1218 NE2 GLN A 79 -4.563 -5.194 -14.764 1.00 0.00 N ATOM 0 H GLN A 79 -6.901 -6.507 -11.165 1.00 0.00 H new ATOM 0 HA GLN A 79 -8.726 -5.464 -13.260 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.058 -6.382 -13.051 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -6.866 -7.715 -13.852 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -7.570 -6.352 -15.690 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -7.339 -4.863 -14.795 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -4.792 -4.819 -13.844 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -3.609 -5.128 -15.118 1.00 0.00 H new ATOM 1227 N GLN A 80 -8.988 -8.570 -12.181 1.00 0.00 N ATOM 1228 CA GLN A 80 -9.929 -9.746 -12.249 1.00 0.00 C ATOM 1229 C GLN A 80 -11.351 -9.307 -11.871 1.00 0.00 C ATOM 1230 O GLN A 80 -12.315 -9.729 -12.482 1.00 0.00 O ATOM 1231 CB GLN A 80 -9.414 -10.790 -11.244 1.00 0.00 C ATOM 1232 CG GLN A 80 -8.369 -11.680 -11.921 1.00 0.00 C ATOM 1233 CD GLN A 80 -8.484 -13.110 -11.380 1.00 0.00 C ATOM 1234 OE1 GLN A 80 -7.875 -13.442 -10.382 1.00 0.00 O ATOM 1235 NE2 GLN A 80 -9.246 -13.983 -11.997 1.00 0.00 N ATOM 0 H GLN A 80 -8.219 -8.663 -11.518 1.00 0.00 H new ATOM 0 HA GLN A 80 -9.964 -10.159 -13.257 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -8.977 -10.292 -10.378 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -10.242 -11.397 -10.878 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -8.517 -11.676 -13.001 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -7.368 -11.289 -11.735 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -9.759 -13.710 -12.835 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -9.325 -14.935 -11.638 1.00 0.00 H new ATOM 1244 N GLY A 81 -11.492 -8.462 -10.873 1.00 0.00 N ATOM 1245 CA GLY A 81 -12.853 -8.003 -10.466 1.00 0.00 C ATOM 1246 C GLY A 81 -13.027 -8.177 -8.950 1.00 0.00 C ATOM 1247 O GLY A 81 -13.785 -9.018 -8.506 1.00 0.00 O ATOM 0 H GLY A 81 -10.723 -8.074 -10.327 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -12.991 -6.957 -10.740 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -13.614 -8.575 -10.997 1.00 0.00 H new ATOM 1251 N GLU A 82 -12.334 -7.392 -8.150 1.00 0.00 N ATOM 1252 CA GLU A 82 -12.471 -7.524 -6.668 1.00 0.00 C ATOM 1253 C GLU A 82 -12.924 -6.188 -6.057 1.00 0.00 C ATOM 1254 O GLU A 82 -13.074 -5.205 -6.759 1.00 0.00 O ATOM 1255 CB GLU A 82 -11.071 -7.893 -6.172 1.00 0.00 C ATOM 1256 CG GLU A 82 -10.852 -9.399 -6.334 1.00 0.00 C ATOM 1257 CD GLU A 82 -11.797 -10.156 -5.398 1.00 0.00 C ATOM 1258 OE1 GLU A 82 -11.714 -9.938 -4.201 1.00 0.00 O ATOM 1259 OE2 GLU A 82 -12.587 -10.941 -5.896 1.00 0.00 O ATOM 0 H GLU A 82 -11.684 -6.671 -8.463 1.00 0.00 H new ATOM 0 HA GLU A 82 -13.213 -8.271 -6.386 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -10.317 -7.343 -6.735 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -10.958 -7.609 -5.126 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -11.033 -9.694 -7.367 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -9.817 -9.653 -6.106 1.00 0.00 H new ATOM 1266 N SER A 83 -13.144 -6.140 -4.758 1.00 0.00 N ATOM 1267 CA SER A 83 -13.586 -4.861 -4.123 1.00 0.00 C ATOM 1268 C SER A 83 -12.521 -4.361 -3.134 1.00 0.00 C ATOM 1269 O SER A 83 -11.942 -5.137 -2.399 1.00 0.00 O ATOM 1270 CB SER A 83 -14.878 -5.205 -3.384 1.00 0.00 C ATOM 1271 OG SER A 83 -15.927 -5.381 -4.327 1.00 0.00 O ATOM 0 H SER A 83 -13.036 -6.928 -4.119 1.00 0.00 H new ATOM 0 HA SER A 83 -13.736 -4.070 -4.858 1.00 0.00 H new ATOM 0 HB2 SER A 83 -14.744 -6.114 -2.798 1.00 0.00 H new ATOM 0 HB3 SER A 83 -15.133 -4.409 -2.684 1.00 0.00 H new ATOM 0 HG SER A 83 -16.757 -5.604 -3.856 1.00 0.00 H new ATOM 1277 N ALA A 84 -12.259 -3.069 -3.107 1.00 0.00 N ATOM 1278 CA ALA A 84 -11.228 -2.535 -2.154 1.00 0.00 C ATOM 1279 C ALA A 84 -11.891 -1.949 -0.889 1.00 0.00 C ATOM 1280 O ALA A 84 -11.334 -2.032 0.189 1.00 0.00 O ATOM 1281 CB ALA A 84 -10.472 -1.441 -2.927 1.00 0.00 C ATOM 0 H ALA A 84 -12.710 -2.370 -3.697 1.00 0.00 H new ATOM 0 HA ALA A 84 -10.558 -3.324 -1.813 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -9.703 -1.009 -2.287 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -10.006 -1.876 -3.811 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -11.171 -0.662 -3.231 1.00 0.00 H new ATOM 1287 N GLU A 85 -13.069 -1.358 -0.999 1.00 0.00 N ATOM 1288 CA GLU A 85 -13.733 -0.774 0.228 1.00 0.00 C ATOM 1289 C GLU A 85 -13.876 -1.841 1.326 1.00 0.00 C ATOM 1290 O GLU A 85 -13.720 -1.549 2.497 1.00 0.00 O ATOM 1291 CB GLU A 85 -15.123 -0.284 -0.212 1.00 0.00 C ATOM 1292 CG GLU A 85 -15.017 1.150 -0.734 1.00 0.00 C ATOM 1293 CD GLU A 85 -16.343 1.877 -0.499 1.00 0.00 C ATOM 1294 OE1 GLU A 85 -16.870 1.769 0.595 1.00 0.00 O ATOM 1295 OE2 GLU A 85 -16.807 2.531 -1.418 1.00 0.00 O ATOM 0 H GLU A 85 -13.592 -1.255 -1.869 1.00 0.00 H new ATOM 0 HA GLU A 85 -13.136 0.041 0.638 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -15.521 -0.937 -0.989 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -15.818 -0.327 0.627 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -14.207 1.674 -0.226 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -14.776 1.145 -1.797 1.00 0.00 H new ATOM 1302 N ASN A 86 -14.170 -3.072 0.962 1.00 0.00 N ATOM 1303 CA ASN A 86 -14.318 -4.147 2.014 1.00 0.00 C ATOM 1304 C ASN A 86 -13.022 -4.274 2.833 1.00 0.00 C ATOM 1305 O ASN A 86 -13.067 -4.494 4.029 1.00 0.00 O ATOM 1306 CB ASN A 86 -14.601 -5.461 1.269 1.00 0.00 C ATOM 1307 CG ASN A 86 -16.113 -5.613 1.056 1.00 0.00 C ATOM 1308 OD1 ASN A 86 -16.809 -6.100 1.925 1.00 0.00 O ATOM 1309 ND2 ASN A 86 -16.658 -5.217 -0.069 1.00 0.00 N ATOM 0 H ASN A 86 -14.313 -3.379 -0.000 1.00 0.00 H new ATOM 0 HA ASN A 86 -15.125 -3.906 2.706 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -14.085 -5.465 0.309 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -14.217 -6.306 1.841 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -17.663 -5.318 -0.212 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -16.077 -4.808 -0.801 1.00 0.00 H new ATOM 1316 N ILE A 87 -11.870 -4.133 2.208 1.00 0.00 N ATOM 1317 CA ILE A 87 -10.585 -4.249 2.990 1.00 0.00 C ATOM 1318 C ILE A 87 -10.521 -3.140 4.059 1.00 0.00 C ATOM 1319 O ILE A 87 -10.038 -3.366 5.153 1.00 0.00 O ATOM 1320 CB ILE A 87 -9.432 -4.096 1.978 1.00 0.00 C ATOM 1321 CG1 ILE A 87 -9.503 -5.231 0.950 1.00 0.00 C ATOM 1322 CG2 ILE A 87 -8.087 -4.164 2.708 1.00 0.00 C ATOM 1323 CD1 ILE A 87 -9.065 -4.709 -0.421 1.00 0.00 C ATOM 0 H ILE A 87 -11.762 -3.946 1.211 1.00 0.00 H new ATOM 0 HA ILE A 87 -10.518 -5.207 3.505 1.00 0.00 H new ATOM 0 HB ILE A 87 -9.523 -3.134 1.475 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -8.861 -6.056 1.259 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -10.519 -5.622 0.894 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -7.276 -4.055 1.988 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -8.030 -3.360 3.442 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -7.996 -5.125 3.214 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -9.116 -5.517 -1.151 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -9.725 -3.899 -0.730 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -8.041 -4.339 -0.360 1.00 0.00 H new ATOM 1335 N VAL A 88 -11.000 -1.946 3.760 1.00 0.00 N ATOM 1336 CA VAL A 88 -10.948 -0.846 4.793 1.00 0.00 C ATOM 1337 C VAL A 88 -11.731 -1.262 6.050 1.00 0.00 C ATOM 1338 O VAL A 88 -11.323 -0.965 7.157 1.00 0.00 O ATOM 1339 CB VAL A 88 -11.580 0.406 4.155 1.00 0.00 C ATOM 1340 CG1 VAL A 88 -11.567 1.564 5.159 1.00 0.00 C ATOM 1341 CG2 VAL A 88 -10.769 0.807 2.922 1.00 0.00 C ATOM 0 H VAL A 88 -11.416 -1.688 2.865 1.00 0.00 H new ATOM 0 HA VAL A 88 -9.920 -0.645 5.096 1.00 0.00 H new ATOM 0 HB VAL A 88 -12.608 0.184 3.870 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -12.015 2.447 4.702 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -12.138 1.284 6.045 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -10.539 1.786 5.445 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -11.213 1.693 2.467 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -9.743 1.026 3.217 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -10.773 -0.011 2.202 1.00 0.00 H new ATOM 1351 N SER A 89 -12.846 -1.951 5.897 1.00 0.00 N ATOM 1352 CA SER A 89 -13.631 -2.379 7.116 1.00 0.00 C ATOM 1353 C SER A 89 -12.726 -3.200 8.046 1.00 0.00 C ATOM 1354 O SER A 89 -12.739 -3.018 9.249 1.00 0.00 O ATOM 1355 CB SER A 89 -14.800 -3.241 6.616 1.00 0.00 C ATOM 1356 OG SER A 89 -15.803 -3.299 7.621 1.00 0.00 O ATOM 0 H SER A 89 -13.242 -2.232 5.000 1.00 0.00 H new ATOM 0 HA SER A 89 -13.999 -1.518 7.674 1.00 0.00 H new ATOM 0 HB2 SER A 89 -15.212 -2.820 5.699 1.00 0.00 H new ATOM 0 HB3 SER A 89 -14.450 -4.245 6.376 1.00 0.00 H new ATOM 0 HG SER A 89 -16.552 -3.847 7.305 1.00 0.00 H new ATOM 1362 N LYS A 90 -11.918 -4.087 7.496 1.00 0.00 N ATOM 1363 CA LYS A 90 -10.993 -4.890 8.371 1.00 0.00 C ATOM 1364 C LYS A 90 -9.900 -3.976 8.945 1.00 0.00 C ATOM 1365 O LYS A 90 -9.476 -4.154 10.072 1.00 0.00 O ATOM 1366 CB LYS A 90 -10.371 -5.979 7.481 1.00 0.00 C ATOM 1367 CG LYS A 90 -9.821 -7.104 8.360 1.00 0.00 C ATOM 1368 CD LYS A 90 -9.504 -8.322 7.490 1.00 0.00 C ATOM 1369 CE LYS A 90 -9.186 -9.522 8.385 1.00 0.00 C ATOM 1370 NZ LYS A 90 -8.111 -10.262 7.669 1.00 0.00 N ATOM 0 H LYS A 90 -11.860 -4.287 6.497 1.00 0.00 H new ATOM 0 HA LYS A 90 -11.527 -5.338 9.209 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -11.119 -6.373 6.794 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -9.572 -5.554 6.873 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -8.922 -6.769 8.877 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -10.549 -7.370 9.126 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -10.352 -8.551 6.844 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -8.657 -8.106 6.839 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -8.854 -9.201 9.372 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -10.066 -10.149 8.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -7.839 -11.100 8.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -8.458 -10.561 6.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -7.284 -9.643 7.549 1.00 0.00 H new ATOM 1384 N ILE A 91 -9.447 -2.989 8.194 1.00 0.00 N ATOM 1385 CA ILE A 91 -8.391 -2.068 8.741 1.00 0.00 C ATOM 1386 C ILE A 91 -9.012 -1.155 9.807 1.00 0.00 C ATOM 1387 O ILE A 91 -8.403 -0.893 10.827 1.00 0.00 O ATOM 1388 CB ILE A 91 -7.857 -1.237 7.555 1.00 0.00 C ATOM 1389 CG1 ILE A 91 -7.264 -2.165 6.480 1.00 0.00 C ATOM 1390 CG2 ILE A 91 -6.771 -0.276 8.044 1.00 0.00 C ATOM 1391 CD1 ILE A 91 -6.159 -3.042 7.087 1.00 0.00 C ATOM 0 H ILE A 91 -9.757 -2.785 7.244 1.00 0.00 H new ATOM 0 HA ILE A 91 -7.579 -2.624 9.208 1.00 0.00 H new ATOM 0 HB ILE A 91 -8.683 -0.671 7.125 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -8.048 -2.795 6.060 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -6.858 -1.572 5.661 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -6.397 0.308 7.203 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -7.190 0.395 8.795 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -5.952 -0.846 8.483 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -5.748 -3.694 6.316 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -5.368 -2.407 7.485 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -6.576 -3.649 7.891 1.00 0.00 H new ATOM 1403 N ARG A 92 -10.222 -0.680 9.591 1.00 0.00 N ATOM 1404 CA ARG A 92 -10.862 0.206 10.627 1.00 0.00 C ATOM 1405 C ARG A 92 -11.081 -0.587 11.922 1.00 0.00 C ATOM 1406 O ARG A 92 -10.895 -0.064 13.006 1.00 0.00 O ATOM 1407 CB ARG A 92 -12.209 0.673 10.051 1.00 0.00 C ATOM 1408 CG ARG A 92 -11.983 1.887 9.145 1.00 0.00 C ATOM 1409 CD ARG A 92 -13.221 2.787 9.181 1.00 0.00 C ATOM 1410 NE ARG A 92 -12.905 3.909 8.252 1.00 0.00 N ATOM 1411 CZ ARG A 92 -12.862 5.134 8.700 1.00 0.00 C ATOM 1412 NH1 ARG A 92 -11.826 5.545 9.378 1.00 0.00 N ATOM 1413 NH2 ARG A 92 -13.857 5.947 8.470 1.00 0.00 N ATOM 0 H ARG A 92 -10.785 -0.862 8.760 1.00 0.00 H new ATOM 0 HA ARG A 92 -10.228 1.062 10.860 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -12.675 -0.134 9.486 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -12.893 0.931 10.860 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -11.106 2.443 9.476 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -11.787 1.561 8.124 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -14.112 2.247 8.860 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -13.415 3.152 10.190 1.00 0.00 H new ATOM 0 HE ARG A 92 -12.722 3.719 7.267 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -11.049 4.909 9.558 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -11.793 6.502 9.728 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -14.667 5.625 7.941 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -13.824 6.905 8.820 1.00 0.00 H new ATOM 1427 N MET A 93 -11.457 -1.847 11.828 1.00 0.00 N ATOM 1428 CA MET A 93 -11.659 -2.652 13.083 1.00 0.00 C ATOM 1429 C MET A 93 -10.295 -2.972 13.707 1.00 0.00 C ATOM 1430 O MET A 93 -10.136 -2.916 14.913 1.00 0.00 O ATOM 1431 CB MET A 93 -12.382 -3.946 12.674 1.00 0.00 C ATOM 1432 CG MET A 93 -13.243 -4.440 13.838 1.00 0.00 C ATOM 1433 SD MET A 93 -14.669 -3.344 14.041 1.00 0.00 S ATOM 1434 CE MET A 93 -14.845 -3.527 15.832 1.00 0.00 C ATOM 0 H MET A 93 -11.630 -2.344 10.954 1.00 0.00 H new ATOM 0 HA MET A 93 -12.247 -2.105 13.820 1.00 0.00 H new ATOM 0 HB2 MET A 93 -13.005 -3.766 11.798 1.00 0.00 H new ATOM 0 HB3 MET A 93 -11.655 -4.709 12.396 1.00 0.00 H new ATOM 0 HG2 MET A 93 -13.579 -5.460 13.649 1.00 0.00 H new ATOM 0 HG3 MET A 93 -12.655 -4.463 14.755 1.00 0.00 H new ATOM 0 HE1 MET A 93 -15.684 -2.923 16.179 1.00 0.00 H new ATOM 0 HE2 MET A 93 -15.027 -4.574 16.075 1.00 0.00 H new ATOM 0 HE3 MET A 93 -13.931 -3.194 16.323 1.00 0.00 H new ATOM 1444 N MET A 94 -9.303 -3.289 12.900 1.00 0.00 N ATOM 1445 CA MET A 94 -7.945 -3.587 13.476 1.00 0.00 C ATOM 1446 C MET A 94 -7.306 -2.289 13.986 1.00 0.00 C ATOM 1447 O MET A 94 -6.670 -2.280 15.024 1.00 0.00 O ATOM 1448 CB MET A 94 -7.100 -4.192 12.344 1.00 0.00 C ATOM 1449 CG MET A 94 -7.757 -5.484 11.851 1.00 0.00 C ATOM 1450 SD MET A 94 -7.177 -6.876 12.850 1.00 0.00 S ATOM 1451 CE MET A 94 -8.122 -8.169 12.009 1.00 0.00 C ATOM 0 H MET A 94 -9.372 -3.354 11.884 1.00 0.00 H new ATOM 0 HA MET A 94 -8.013 -4.280 14.314 1.00 0.00 H new ATOM 0 HB2 MET A 94 -7.010 -3.481 11.523 1.00 0.00 H new ATOM 0 HB3 MET A 94 -6.090 -4.398 12.699 1.00 0.00 H new ATOM 0 HG2 MET A 94 -8.842 -5.401 11.918 1.00 0.00 H new ATOM 0 HG3 MET A 94 -7.515 -5.650 10.801 1.00 0.00 H new ATOM 0 HE1 MET A 94 -8.355 -8.966 12.715 1.00 0.00 H new ATOM 0 HE2 MET A 94 -9.048 -7.747 11.619 1.00 0.00 H new ATOM 0 HE3 MET A 94 -7.533 -8.574 11.186 1.00 0.00 H new ATOM 1461 N ASN A 95 -7.486 -1.186 13.285 1.00 0.00 N ATOM 1462 CA ASN A 95 -6.891 0.105 13.776 1.00 0.00 C ATOM 1463 C ASN A 95 -7.671 0.590 15.006 1.00 0.00 C ATOM 1464 O ASN A 95 -7.090 1.102 15.945 1.00 0.00 O ATOM 1465 CB ASN A 95 -7.002 1.122 12.627 1.00 0.00 C ATOM 1466 CG ASN A 95 -5.762 1.019 11.728 1.00 0.00 C ATOM 1467 OD1 ASN A 95 -5.696 0.089 10.806 1.00 0.00 O flip ATOM 1468 ND2 ASN A 95 -4.838 1.796 11.868 1.00 0.00 N flip ATOM 0 H ASN A 95 -8.009 -1.124 12.411 1.00 0.00 H new ATOM 0 HA ASN A 95 -5.848 -0.022 14.067 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -7.903 0.931 12.044 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -7.090 2.132 13.028 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -4.885 2.521 12.584 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -4.015 1.723 11.269 1.00 0.00 H new