USER MOD reduce.3.24.130724 H: found=0, std=0, add=886, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 882 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 105 SER OG : rot 120:sc= 0.928 USER MOD Set 1.2: A 107 SER OG : rot 180:sc= 0.496 USER MOD Set 2.1: A 53 HIS : no HE2:sc= -1.48 K(o=-4.4,f=-4.9) USER MOD Set 2.2: A 95 HIS : no HD1:sc= -2.95! K(o=-4.4!,f=-5.1) USER MOD Set 3.1: A 93 THR OG1 : rot -36:sc= 0.674 USER MOD Set 3.2: A 109 LYS NZ :NH3+ -118:sc= -0.0226 (180deg=-1.39) USER MOD Set 4.1: A 51 SER OG : rot 180:sc= 1.06 USER MOD Set 4.2: A 52 CYS SG : rot 30:sc= 0.719 USER MOD Set 5.1: A 41 THR OG1 : rot -103:sc= 1.3 USER MOD Set 5.2: A 43 SER OG : rot 65:sc= 1.06 USER MOD Single : A 3 THR OG1 : rot 34:sc= 0.15 USER MOD Single : A 4 ASN : amide:sc= -2.35! K(o=-2.3!,f=-0.78) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot 180:sc= -1.35 USER MOD Single : A 13 THR OG1 : rot 81:sc= 0.984 USER MOD Single : A 14 ASN : amide:sc= -0.309 K(o=-0.31,f=-1.8!) USER MOD Single : A 17 HIS : no HE2:sc= -0.981! C(o=-0.98!,f=-4.7!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -2.9! K(o=-2.9!,f=-0.81) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 84:sc= 0.213 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -2.4! C(o=-2.4!,f=-3.7!) USER MOD Single : A 38 LYS NZ :NH3+ 143:sc= -0.222 (180deg=-0.954) USER MOD Single : A 40 LYS NZ :NH3+ -116:sc= -0.023 (180deg=-0.806) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 45:sc= -1.18! USER MOD Single : A 55 ASN : amide:sc= -0.186 K(o=-0.19,f=-0.93) USER MOD Single : A 56 ASN : amide:sc= -0.449 K(o=-0.45,f=-1.7) USER MOD Single : A 59 ASN : amide:sc= 0.817 K(o=0.82,f=-6.7!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -7.59! C(o=-7.6!,f=-8.7!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.00565 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -3.8! C(o=-3.8!,f=-12!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.149 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 121:sc= 1.18 USER MOD Single : A 87 LYS NZ :NH3+ -155:sc= 0.682 (180deg=0.33) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -1.03 K(o=-1,f=-2.3!) USER MOD Single : A 111 ASN : amide:sc= -2.45 K(o=-2.5,f=-6.4!) USER MOD Single : A 115 TYR OH : rot 180:sc= -0.0663 USER MOD Single : A 118 THR OG1 : rot 89:sc= 0.034 USER MOD ----------------------------------------------------------------- ATOM 31 N THR A 3 -5.833 -2.926 15.464 1.00 0.00 N ATOM 32 CA THR A 3 -5.817 -4.369 15.638 1.00 0.00 C ATOM 33 C THR A 3 -5.841 -5.070 14.278 1.00 0.00 C ATOM 34 O THR A 3 -5.298 -6.163 14.130 1.00 0.00 O ATOM 35 CB THR A 3 -6.994 -4.749 16.538 1.00 0.00 C ATOM 36 OG1 THR A 3 -6.670 -4.166 17.798 1.00 0.00 O ATOM 37 CG2 THR A 3 -7.050 -6.251 16.826 1.00 0.00 C ATOM 0 HA THR A 3 -4.898 -4.699 16.123 1.00 0.00 H new ATOM 0 HB THR A 3 -7.926 -4.434 16.069 1.00 0.00 H new ATOM 0 HG1 THR A 3 -6.183 -3.328 17.655 1.00 0.00 H new ATOM 0 HG21 THR A 3 -7.903 -6.467 17.469 1.00 0.00 H new ATOM 0 HG22 THR A 3 -7.154 -6.798 15.889 1.00 0.00 H new ATOM 0 HG23 THR A 3 -6.132 -6.560 17.326 1.00 0.00 H new ATOM 45 N ASN A 4 -6.476 -4.411 13.319 1.00 0.00 N ATOM 46 CA ASN A 4 -6.578 -4.958 11.977 1.00 0.00 C ATOM 47 C ASN A 4 -5.253 -4.743 11.242 1.00 0.00 C ATOM 48 O ASN A 4 -4.727 -5.665 10.621 1.00 0.00 O ATOM 49 CB ASN A 4 -7.680 -4.258 11.180 1.00 0.00 C ATOM 50 CG ASN A 4 -8.838 -3.845 12.091 1.00 0.00 C ATOM 51 OD1 ASN A 4 -9.524 -2.864 11.859 1.00 0.00 O ATOM 52 ND2 ASN A 4 -9.015 -4.646 13.137 1.00 0.00 N ATOM 0 H ASN A 4 -6.925 -3.504 13.445 1.00 0.00 H new ATOM 0 HA ASN A 4 -6.813 -6.019 12.061 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -7.271 -3.378 10.684 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -8.047 -4.923 10.398 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -9.762 -4.455 13.805 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -8.404 -5.451 13.272 1.00 0.00 H new ATOM 59 N ALA A 5 -4.753 -3.520 11.336 1.00 0.00 N ATOM 60 CA ALA A 5 -3.500 -3.172 10.688 1.00 0.00 C ATOM 61 C ALA A 5 -2.397 -4.109 11.184 1.00 0.00 C ATOM 62 O ALA A 5 -1.643 -4.664 10.385 1.00 0.00 O ATOM 63 CB ALA A 5 -3.178 -1.700 10.955 1.00 0.00 C ATOM 0 H ALA A 5 -5.193 -2.757 11.851 1.00 0.00 H new ATOM 0 HA ALA A 5 -3.579 -3.298 9.608 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -2.238 -1.439 10.469 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -3.978 -1.075 10.558 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -3.089 -1.536 12.029 1.00 0.00 H new ATOM 69 N GLU A 6 -2.336 -4.257 12.499 1.00 0.00 N ATOM 70 CA GLU A 6 -1.338 -5.117 13.110 1.00 0.00 C ATOM 71 C GLU A 6 -1.563 -6.572 12.693 1.00 0.00 C ATOM 72 O GLU A 6 -0.608 -7.327 12.521 1.00 0.00 O ATOM 73 CB GLU A 6 -1.350 -4.975 14.634 1.00 0.00 C ATOM 74 CG GLU A 6 -2.567 -5.678 15.240 1.00 0.00 C ATOM 75 CD GLU A 6 -2.537 -5.605 16.768 1.00 0.00 C ATOM 76 OE1 GLU A 6 -2.035 -4.580 17.277 1.00 0.00 O ATOM 77 OE2 GLU A 6 -3.017 -6.576 17.392 1.00 0.00 O ATOM 0 H GLU A 6 -2.962 -3.795 13.159 1.00 0.00 H new ATOM 0 HA GLU A 6 -0.355 -4.807 12.757 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -0.436 -5.399 15.050 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -1.363 -3.919 14.905 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -3.481 -5.216 14.868 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -2.585 -6.721 14.922 1.00 0.00 H new ATOM 84 N LYS A 7 -2.833 -6.921 12.543 1.00 0.00 N ATOM 85 CA LYS A 7 -3.196 -8.271 12.149 1.00 0.00 C ATOM 86 C LYS A 7 -2.658 -8.551 10.745 1.00 0.00 C ATOM 87 O LYS A 7 -2.021 -9.577 10.512 1.00 0.00 O ATOM 88 CB LYS A 7 -4.706 -8.481 12.283 1.00 0.00 C ATOM 89 CG LYS A 7 -5.103 -9.894 11.852 1.00 0.00 C ATOM 90 CD LYS A 7 -5.357 -10.787 13.068 1.00 0.00 C ATOM 91 CE LYS A 7 -6.650 -11.587 12.901 1.00 0.00 C ATOM 92 NZ LYS A 7 -6.430 -12.750 12.013 1.00 0.00 N ATOM 0 H LYS A 7 -3.623 -6.292 12.687 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.736 -8.999 12.817 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -5.010 -8.313 13.316 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -5.234 -7.749 11.672 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -6.000 -9.851 11.234 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -4.313 -10.326 11.238 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.518 -11.469 13.204 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.418 -10.174 13.967 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -7.002 -11.927 13.875 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.429 -10.947 12.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -7.318 -13.282 11.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -6.115 -12.419 11.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -5.702 -13.368 12.424 1.00 0.00 H new ATOM 106 N LEU A 8 -2.934 -7.619 9.844 1.00 0.00 N ATOM 107 CA LEU A 8 -2.486 -7.752 8.468 1.00 0.00 C ATOM 108 C LEU A 8 -0.981 -8.029 8.451 1.00 0.00 C ATOM 109 O LEU A 8 -0.526 -8.965 7.794 1.00 0.00 O ATOM 110 CB LEU A 8 -2.894 -6.525 7.650 1.00 0.00 C ATOM 111 CG LEU A 8 -4.381 -6.415 7.304 1.00 0.00 C ATOM 112 CD1 LEU A 8 -4.602 -5.447 6.140 1.00 0.00 C ATOM 113 CD2 LEU A 8 -4.983 -7.793 7.026 1.00 0.00 C ATOM 0 H LEU A 8 -3.462 -6.769 10.040 1.00 0.00 H new ATOM 0 HA LEU A 8 -2.973 -8.602 7.990 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -2.602 -5.631 8.202 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.324 -6.526 6.721 1.00 0.00 H new ATOM 0 HG LEU A 8 -4.904 -6.005 8.168 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.667 -5.387 5.914 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -4.233 -4.459 6.414 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -4.064 -5.805 5.262 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -6.040 -7.686 6.783 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.463 -8.255 6.187 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.876 -8.422 7.910 1.00 0.00 H new ATOM 125 N VAL A 9 -0.250 -7.199 9.181 1.00 0.00 N ATOM 126 CA VAL A 9 1.193 -7.343 9.258 1.00 0.00 C ATOM 127 C VAL A 9 1.536 -8.755 9.734 1.00 0.00 C ATOM 128 O VAL A 9 2.259 -9.507 9.083 1.00 0.00 O ATOM 129 CB VAL A 9 1.781 -6.250 10.154 1.00 0.00 C ATOM 130 CG1 VAL A 9 3.305 -6.366 10.232 1.00 0.00 C ATOM 131 CG2 VAL A 9 1.361 -4.861 9.671 1.00 0.00 C ATOM 0 H VAL A 9 -0.631 -6.424 9.724 1.00 0.00 H new ATOM 0 HA VAL A 9 1.643 -7.214 8.273 1.00 0.00 H new ATOM 0 HB VAL A 9 1.383 -6.390 11.159 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.697 -5.578 10.875 1.00 0.00 H new ATOM 0 HG12 VAL A 9 3.575 -7.338 10.644 1.00 0.00 H new ATOM 0 HG13 VAL A 9 3.729 -6.265 9.233 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.792 -4.103 10.325 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.717 -4.707 8.652 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.274 -4.782 9.691 1.00 0.00 H new ATOM 141 N TYR A 10 0.993 -9.104 10.902 1.00 0.00 N ATOM 142 CA TYR A 10 1.222 -10.408 11.491 1.00 0.00 C ATOM 143 C TYR A 10 0.637 -11.490 10.595 1.00 0.00 C ATOM 144 O TYR A 10 0.901 -12.667 10.834 1.00 0.00 O ATOM 145 CB TYR A 10 0.590 -10.455 12.880 1.00 0.00 C ATOM 146 CG TYR A 10 1.035 -11.640 13.704 1.00 0.00 C ATOM 147 CD1 TYR A 10 2.164 -11.538 14.524 1.00 0.00 C ATOM 148 CD2 TYR A 10 0.316 -12.841 13.648 1.00 0.00 C ATOM 149 CE1 TYR A 10 2.576 -12.637 15.288 1.00 0.00 C ATOM 150 CE2 TYR A 10 0.728 -13.939 14.411 1.00 0.00 C ATOM 151 CZ TYR A 10 1.858 -13.837 15.232 1.00 0.00 C ATOM 152 OH TYR A 10 2.260 -14.908 15.975 1.00 0.00 O ATOM 0 H TYR A 10 0.391 -8.493 11.454 1.00 0.00 H new ATOM 0 HA TYR A 10 2.293 -10.585 11.587 1.00 0.00 H new ATOM 0 HB2 TYR A 10 0.837 -9.538 13.414 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -0.495 -10.481 12.776 1.00 0.00 H new ATOM 0 HD1 TYR A 10 2.718 -10.612 14.568 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -0.556 -12.919 13.016 1.00 0.00 H new ATOM 0 HE1 TYR A 10 3.448 -12.558 15.920 1.00 0.00 H new ATOM 0 HE2 TYR A 10 0.175 -14.865 14.367 1.00 0.00 H new ATOM 0 HH TYR A 10 1.651 -15.660 15.821 1.00 0.00 H new ATOM 162 N LYS A 11 -0.134 -11.081 9.598 1.00 0.00 N ATOM 163 CA LYS A 11 -0.742 -12.033 8.683 1.00 0.00 C ATOM 164 C LYS A 11 0.141 -12.177 7.442 1.00 0.00 C ATOM 165 O LYS A 11 0.831 -13.174 7.243 1.00 0.00 O ATOM 166 CB LYS A 11 -2.184 -11.627 8.369 1.00 0.00 C ATOM 167 CG LYS A 11 -2.970 -12.805 7.790 1.00 0.00 C ATOM 168 CD LYS A 11 -3.269 -13.848 8.869 1.00 0.00 C ATOM 169 CE LYS A 11 -4.290 -14.873 8.372 1.00 0.00 C ATOM 170 NZ LYS A 11 -4.063 -16.186 9.017 1.00 0.00 N ATOM 0 H LYS A 11 -0.352 -10.104 9.404 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.806 -13.018 9.145 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -2.671 -11.271 9.277 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.187 -10.799 7.660 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -3.904 -12.446 7.357 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -2.401 -13.265 6.982 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -2.348 -14.356 9.154 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -3.650 -13.353 9.762 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -5.300 -14.524 8.589 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -4.214 -14.975 7.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -4.765 -16.870 8.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -3.106 -16.524 8.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -4.158 -16.087 10.048 1.00 0.00 H new ATOM 184 N TYR A 12 0.103 -11.142 6.600 1.00 0.00 N ATOM 185 CA TYR A 12 0.880 -11.124 5.377 1.00 0.00 C ATOM 186 C TYR A 12 2.319 -11.520 5.675 1.00 0.00 C ATOM 187 O TYR A 12 3.008 -11.985 4.768 1.00 0.00 O ATOM 188 CB TYR A 12 0.820 -9.731 4.758 1.00 0.00 C ATOM 189 CG TYR A 12 -0.522 -9.400 4.148 1.00 0.00 C ATOM 190 CD1 TYR A 12 -0.849 -9.878 2.874 1.00 0.00 C ATOM 191 CD2 TYR A 12 -1.439 -8.616 4.858 1.00 0.00 C ATOM 192 CE1 TYR A 12 -2.092 -9.572 2.309 1.00 0.00 C ATOM 193 CE2 TYR A 12 -2.683 -8.309 4.293 1.00 0.00 C ATOM 194 CZ TYR A 12 -3.010 -8.787 3.019 1.00 0.00 C ATOM 195 OH TYR A 12 -4.222 -8.489 2.469 1.00 0.00 O ATOM 0 H TYR A 12 -0.462 -10.307 6.751 1.00 0.00 H new ATOM 0 HA TYR A 12 0.466 -11.841 4.668 1.00 0.00 H new ATOM 0 HB2 TYR A 12 1.055 -8.991 5.524 1.00 0.00 H new ATOM 0 HB3 TYR A 12 1.589 -9.650 3.990 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -0.142 -10.483 2.327 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -1.187 -8.248 5.842 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -2.344 -9.941 1.326 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -3.390 -7.703 4.840 1.00 0.00 H new ATOM 0 HH TYR A 12 -4.738 -7.937 3.093 1.00 0.00 H new ATOM 205 N THR A 13 2.741 -11.333 6.917 1.00 0.00 N ATOM 206 CA THR A 13 4.098 -11.677 7.306 1.00 0.00 C ATOM 207 C THR A 13 4.231 -13.190 7.493 1.00 0.00 C ATOM 208 O THR A 13 5.113 -13.816 6.906 1.00 0.00 O ATOM 209 CB THR A 13 4.447 -10.877 8.563 1.00 0.00 C ATOM 210 OG1 THR A 13 4.443 -9.522 8.123 1.00 0.00 O ATOM 211 CG2 THR A 13 5.886 -11.114 9.027 1.00 0.00 C ATOM 0 H THR A 13 2.167 -10.948 7.667 1.00 0.00 H new ATOM 0 HA THR A 13 4.812 -11.413 6.526 1.00 0.00 H new ATOM 0 HB THR A 13 3.759 -11.142 9.365 1.00 0.00 H new ATOM 0 HG1 THR A 13 3.521 -9.190 8.094 1.00 0.00 H new ATOM 0 HG21 THR A 13 6.082 -10.523 9.922 1.00 0.00 H new ATOM 0 HG22 THR A 13 6.026 -12.171 9.252 1.00 0.00 H new ATOM 0 HG23 THR A 13 6.576 -10.817 8.238 1.00 0.00 H new ATOM 219 N ASN A 14 3.343 -13.734 8.312 1.00 0.00 N ATOM 220 CA ASN A 14 3.351 -15.161 8.583 1.00 0.00 C ATOM 221 C ASN A 14 3.232 -15.927 7.264 1.00 0.00 C ATOM 222 O ASN A 14 4.079 -16.761 6.948 1.00 0.00 O ATOM 223 CB ASN A 14 2.169 -15.559 9.469 1.00 0.00 C ATOM 224 CG ASN A 14 2.635 -16.396 10.662 1.00 0.00 C ATOM 225 OD1 ASN A 14 3.764 -16.302 11.116 1.00 0.00 O ATOM 226 ND2 ASN A 14 1.706 -17.217 11.144 1.00 0.00 N ATOM 0 H ASN A 14 2.613 -13.212 8.797 1.00 0.00 H new ATOM 0 HA ASN A 14 4.283 -15.402 9.094 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.659 -14.664 9.825 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.445 -16.126 8.883 1.00 0.00 H new ATOM 0 HD21 ASN A 14 1.919 -17.817 11.941 1.00 0.00 H new ATOM 0 HD22 ASN A 14 0.780 -17.246 10.717 1.00 0.00 H new ATOM 233 N ILE A 15 2.174 -15.616 6.529 1.00 0.00 N ATOM 234 CA ILE A 15 1.934 -16.265 5.252 1.00 0.00 C ATOM 235 C ILE A 15 3.226 -16.260 4.431 1.00 0.00 C ATOM 236 O ILE A 15 3.642 -17.297 3.916 1.00 0.00 O ATOM 237 CB ILE A 15 0.748 -15.616 4.535 1.00 0.00 C ATOM 238 CG1 ILE A 15 -0.577 -16.192 5.036 1.00 0.00 C ATOM 239 CG2 ILE A 15 0.890 -15.739 3.017 1.00 0.00 C ATOM 240 CD1 ILE A 15 -1.654 -15.107 5.111 1.00 0.00 C ATOM 0 H ILE A 15 1.474 -14.923 6.794 1.00 0.00 H new ATOM 0 HA ILE A 15 1.655 -17.308 5.402 1.00 0.00 H new ATOM 0 HB ILE A 15 0.746 -14.552 4.772 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.906 -16.990 4.370 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.435 -16.637 6.021 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.034 -15.270 2.532 1.00 0.00 H new ATOM 0 HG22 ILE A 15 1.806 -15.243 2.696 1.00 0.00 H new ATOM 0 HG23 ILE A 15 0.932 -16.792 2.740 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.586 -15.544 5.470 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.333 -14.323 5.796 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.811 -14.681 4.120 1.00 0.00 H new ATOM 252 N ALA A 16 3.824 -15.082 4.336 1.00 0.00 N ATOM 253 CA ALA A 16 5.060 -14.928 3.587 1.00 0.00 C ATOM 254 C ALA A 16 6.130 -15.843 4.185 1.00 0.00 C ATOM 255 O ALA A 16 6.823 -16.552 3.457 1.00 0.00 O ATOM 256 CB ALA A 16 5.480 -13.457 3.592 1.00 0.00 C ATOM 0 H ALA A 16 3.476 -14.225 4.765 1.00 0.00 H new ATOM 0 HA ALA A 16 4.919 -15.222 2.547 1.00 0.00 H new ATOM 0 HB1 ALA A 16 6.407 -13.341 3.030 1.00 0.00 H new ATOM 0 HB2 ALA A 16 4.698 -12.854 3.130 1.00 0.00 H new ATOM 0 HB3 ALA A 16 5.634 -13.126 4.619 1.00 0.00 H new ATOM 262 N HIS A 17 6.232 -15.797 5.505 1.00 0.00 N ATOM 263 CA HIS A 17 7.206 -16.614 6.209 1.00 0.00 C ATOM 264 C HIS A 17 6.896 -18.094 5.982 1.00 0.00 C ATOM 265 O HIS A 17 7.803 -18.925 5.953 1.00 0.00 O ATOM 266 CB HIS A 17 7.258 -16.240 7.692 1.00 0.00 C ATOM 267 CG HIS A 17 8.430 -16.835 8.435 1.00 0.00 C ATOM 268 ND1 HIS A 17 9.743 -16.489 8.165 1.00 0.00 N ATOM 269 CD2 HIS A 17 8.473 -17.756 9.441 1.00 0.00 C ATOM 270 CE1 HIS A 17 10.532 -17.177 8.978 1.00 0.00 C ATOM 271 NE2 HIS A 17 9.743 -17.962 9.767 1.00 0.00 N ATOM 0 H HIS A 17 5.656 -15.207 6.106 1.00 0.00 H new ATOM 0 HA HIS A 17 8.202 -16.422 5.810 1.00 0.00 H new ATOM 0 HB2 HIS A 17 7.298 -15.154 7.781 1.00 0.00 H new ATOM 0 HB3 HIS A 17 6.334 -16.565 8.171 1.00 0.00 H new ATOM 0 HD1 HIS A 17 10.051 -15.819 7.460 1.00 0.00 H new ATOM 0 HD2 HIS A 17 7.619 -18.236 9.895 1.00 0.00 H new ATOM 0 HE1 HIS A 17 11.610 -17.125 9.010 1.00 0.00 H new ATOM 279 N SER A 18 5.612 -18.380 5.826 1.00 0.00 N ATOM 280 CA SER A 18 5.171 -19.746 5.601 1.00 0.00 C ATOM 281 C SER A 18 5.564 -20.199 4.194 1.00 0.00 C ATOM 282 O SER A 18 5.599 -21.395 3.910 1.00 0.00 O ATOM 283 CB SER A 18 3.659 -19.875 5.797 1.00 0.00 C ATOM 284 OG SER A 18 3.197 -21.197 5.531 1.00 0.00 O ATOM 0 H SER A 18 4.862 -17.689 5.851 1.00 0.00 H new ATOM 0 HA SER A 18 5.662 -20.388 6.332 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.401 -19.600 6.820 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.147 -19.173 5.139 1.00 0.00 H new ATOM 0 HG SER A 18 2.228 -21.239 5.669 1.00 0.00 H new ATOM 290 N ALA A 19 5.851 -19.218 3.350 1.00 0.00 N ATOM 291 CA ALA A 19 6.241 -19.501 1.979 1.00 0.00 C ATOM 292 C ALA A 19 7.763 -19.396 1.854 1.00 0.00 C ATOM 293 O ALA A 19 8.359 -20.002 0.966 1.00 0.00 O ATOM 294 CB ALA A 19 5.511 -18.545 1.033 1.00 0.00 C ATOM 0 H ALA A 19 5.821 -18.227 3.589 1.00 0.00 H new ATOM 0 HA ALA A 19 5.957 -20.516 1.701 1.00 0.00 H new ATOM 0 HB1 ALA A 19 5.803 -18.757 0.005 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.435 -18.679 1.139 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.774 -17.517 1.280 1.00 0.00 H new ATOM 300 N ASN A 20 8.347 -18.622 2.757 1.00 0.00 N ATOM 301 CA ASN A 20 9.787 -18.430 2.759 1.00 0.00 C ATOM 302 C ASN A 20 10.273 -18.262 4.201 1.00 0.00 C ATOM 303 O ASN A 20 9.949 -17.297 4.890 1.00 0.00 O ATOM 304 CB ASN A 20 10.176 -17.173 1.980 1.00 0.00 C ATOM 305 CG ASN A 20 11.244 -17.487 0.930 1.00 0.00 C ATOM 306 OD1 ASN A 20 11.094 -17.210 -0.248 1.00 0.00 O ATOM 307 ND2 ASN A 20 12.329 -18.078 1.423 1.00 0.00 N ATOM 0 H ASN A 20 7.849 -18.121 3.492 1.00 0.00 H new ATOM 0 HA ASN A 20 10.244 -19.301 2.289 1.00 0.00 H new ATOM 0 HB2 ASN A 20 9.295 -16.755 1.494 1.00 0.00 H new ATOM 0 HB3 ASN A 20 10.550 -16.415 2.669 1.00 0.00 H new ATOM 0 HD21 ASN A 20 13.100 -18.327 0.803 1.00 0.00 H new ATOM 0 HD22 ASN A 20 12.390 -18.282 2.421 1.00 0.00 H new ATOM 314 N PRO A 21 11.068 -19.237 4.645 1.00 0.00 N ATOM 315 CA PRO A 21 11.642 -19.280 5.973 1.00 0.00 C ATOM 316 C PRO A 21 12.843 -18.348 6.040 1.00 0.00 C ATOM 317 O PRO A 21 13.861 -18.731 6.614 1.00 0.00 O ATOM 318 CB PRO A 21 12.066 -20.734 6.170 1.00 0.00 C ATOM 319 CG PRO A 21 12.406 -21.176 4.772 1.00 0.00 C ATOM 320 CD PRO A 21 11.468 -20.386 3.862 1.00 0.00 C ATOM 0 HA PRO A 21 10.945 -18.958 6.747 1.00 0.00 H new ATOM 0 HB2 PRO A 21 12.922 -20.818 6.840 1.00 0.00 H new ATOM 0 HB3 PRO A 21 11.264 -21.334 6.600 1.00 0.00 H new ATOM 0 HG2 PRO A 21 13.450 -20.969 4.537 1.00 0.00 H new ATOM 0 HG3 PRO A 21 12.259 -22.249 4.652 1.00 0.00 H new ATOM 0 HD2 PRO A 21 11.971 -20.082 2.944 1.00 0.00 H new ATOM 0 HD3 PRO A 21 10.605 -20.984 3.569 1.00 0.00 H new ATOM 328 N MET A 22 12.708 -17.163 5.463 1.00 0.00 N ATOM 329 CA MET A 22 13.795 -16.199 5.469 1.00 0.00 C ATOM 330 C MET A 22 13.260 -14.769 5.567 1.00 0.00 C ATOM 331 O MET A 22 13.812 -13.826 5.005 1.00 0.00 O ATOM 332 CB MET A 22 14.619 -16.350 4.189 1.00 0.00 C ATOM 333 CG MET A 22 13.826 -15.878 2.968 1.00 0.00 C ATOM 334 SD MET A 22 14.782 -16.135 1.483 1.00 0.00 S ATOM 335 CE MET A 22 14.619 -14.527 0.727 1.00 0.00 C ATOM 0 H MET A 22 11.862 -16.849 4.988 1.00 0.00 H new ATOM 0 HA MET A 22 14.422 -16.392 6.340 1.00 0.00 H new ATOM 0 HB2 MET A 22 15.540 -15.773 4.275 1.00 0.00 H new ATOM 0 HB3 MET A 22 14.908 -17.393 4.059 1.00 0.00 H new ATOM 0 HG2 MET A 22 12.884 -16.423 2.903 1.00 0.00 H new ATOM 0 HG3 MET A 22 13.577 -14.822 3.072 1.00 0.00 H new ATOM 0 HE1 MET A 22 15.161 -14.513 -0.218 1.00 0.00 H new ATOM 0 HE2 MET A 22 13.565 -14.316 0.544 1.00 0.00 H new ATOM 0 HE3 MET A 22 15.031 -13.769 1.393 1.00 0.00 H new ATOM 345 N TYR A 23 12.156 -14.629 6.304 1.00 0.00 N ATOM 346 CA TYR A 23 11.524 -13.339 6.493 1.00 0.00 C ATOM 347 C TYR A 23 10.754 -13.329 7.806 1.00 0.00 C ATOM 348 O TYR A 23 9.746 -14.026 7.909 1.00 0.00 O ATOM 349 CB TYR A 23 10.592 -13.054 5.318 1.00 0.00 C ATOM 350 CG TYR A 23 9.926 -11.701 5.392 1.00 0.00 C ATOM 351 CD1 TYR A 23 10.697 -10.535 5.311 1.00 0.00 C ATOM 352 CD2 TYR A 23 8.537 -11.612 5.542 1.00 0.00 C ATOM 353 CE1 TYR A 23 10.078 -9.281 5.380 1.00 0.00 C ATOM 354 CE2 TYR A 23 7.918 -10.358 5.611 1.00 0.00 C ATOM 355 CZ TYR A 23 8.689 -9.192 5.530 1.00 0.00 C ATOM 356 OH TYR A 23 8.087 -7.970 5.598 1.00 0.00 O ATOM 0 H TYR A 23 11.687 -15.401 6.777 1.00 0.00 H new ATOM 0 HA TYR A 23 12.285 -12.559 6.535 1.00 0.00 H new ATOM 0 HB2 TYR A 23 11.160 -13.120 4.390 1.00 0.00 H new ATOM 0 HB3 TYR A 23 9.824 -13.826 5.278 1.00 0.00 H new ATOM 0 HD1 TYR A 23 11.769 -10.603 5.195 1.00 0.00 H new ATOM 0 HD2 TYR A 23 7.942 -12.511 5.605 1.00 0.00 H new ATOM 0 HE1 TYR A 23 10.673 -8.382 5.317 1.00 0.00 H new ATOM 0 HE2 TYR A 23 6.846 -10.290 5.727 1.00 0.00 H new ATOM 0 HH TYR A 23 7.120 -8.087 5.701 1.00 0.00 H new ATOM 366 N GLU A 24 11.232 -12.553 8.768 1.00 0.00 N ATOM 367 CA GLU A 24 10.572 -12.471 10.060 1.00 0.00 C ATOM 368 C GLU A 24 9.557 -11.326 10.065 1.00 0.00 C ATOM 369 O GLU A 24 8.410 -11.511 10.472 1.00 0.00 O ATOM 370 CB GLU A 24 11.593 -12.303 11.187 1.00 0.00 C ATOM 371 CG GLU A 24 12.283 -13.632 11.503 1.00 0.00 C ATOM 372 CD GLU A 24 11.691 -14.272 12.760 1.00 0.00 C ATOM 373 OE1 GLU A 24 10.446 -14.258 12.871 1.00 0.00 O ATOM 374 OE2 GLU A 24 12.496 -14.760 13.582 1.00 0.00 O ATOM 0 H GLU A 24 12.068 -11.976 8.679 1.00 0.00 H new ATOM 0 HA GLU A 24 10.038 -13.405 10.234 1.00 0.00 H new ATOM 0 HB2 GLU A 24 12.338 -11.561 10.900 1.00 0.00 H new ATOM 0 HB3 GLU A 24 11.095 -11.926 12.080 1.00 0.00 H new ATOM 0 HG2 GLU A 24 12.174 -14.312 10.658 1.00 0.00 H new ATOM 0 HG3 GLU A 24 13.351 -13.467 11.643 1.00 0.00 H new ATOM 381 N ALA A 25 10.014 -10.170 9.609 1.00 0.00 N ATOM 382 CA ALA A 25 9.160 -8.995 9.556 1.00 0.00 C ATOM 383 C ALA A 25 9.833 -7.918 8.703 1.00 0.00 C ATOM 384 O ALA A 25 10.968 -8.057 8.254 1.00 0.00 O ATOM 385 CB ALA A 25 8.866 -8.514 10.978 1.00 0.00 C ATOM 0 H ALA A 25 10.965 -10.021 9.272 1.00 0.00 H new ATOM 0 HA ALA A 25 8.205 -9.235 9.089 1.00 0.00 H new ATOM 0 HB1 ALA A 25 8.226 -7.633 10.939 1.00 0.00 H new ATOM 0 HB2 ALA A 25 8.361 -9.305 11.533 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.801 -8.261 11.477 1.00 0.00 H new ATOM 391 N PRO A 26 9.095 -6.827 8.488 1.00 0.00 N ATOM 392 CA PRO A 26 9.533 -5.686 7.712 1.00 0.00 C ATOM 393 C PRO A 26 10.538 -4.876 8.519 1.00 0.00 C ATOM 394 O PRO A 26 10.990 -5.355 9.558 1.00 0.00 O ATOM 395 CB PRO A 26 8.263 -4.880 7.450 1.00 0.00 C ATOM 396 CG PRO A 26 7.054 -5.772 7.952 1.00 0.00 C ATOM 397 CD PRO A 26 7.757 -6.631 9.001 1.00 0.00 C ATOM 0 HA PRO A 26 10.026 -5.969 6.782 1.00 0.00 H new ATOM 0 HB2 PRO A 26 8.290 -3.929 7.982 1.00 0.00 H new ATOM 0 HB3 PRO A 26 8.161 -4.650 6.389 1.00 0.00 H new ATOM 0 HG2 PRO A 26 6.248 -5.175 8.378 1.00 0.00 H new ATOM 0 HG3 PRO A 26 6.619 -6.370 7.151 1.00 0.00 H new ATOM 0 HD2 PRO A 26 7.775 -6.134 9.971 1.00 0.00 H new ATOM 0 HD3 PRO A 26 7.244 -7.583 9.140 1.00 0.00 H new ATOM 405 N SER A 27 10.864 -3.685 8.037 1.00 0.00 N ATOM 406 CA SER A 27 11.815 -2.833 8.729 1.00 0.00 C ATOM 407 C SER A 27 11.533 -1.364 8.407 1.00 0.00 C ATOM 408 O SER A 27 12.418 -0.518 8.526 1.00 0.00 O ATOM 409 CB SER A 27 13.254 -3.192 8.352 1.00 0.00 C ATOM 410 OG SER A 27 14.121 -3.182 9.483 1.00 0.00 O ATOM 0 H SER A 27 10.486 -3.291 7.176 1.00 0.00 H new ATOM 0 HA SER A 27 11.699 -2.992 9.801 1.00 0.00 H new ATOM 0 HB2 SER A 27 13.272 -4.179 7.890 1.00 0.00 H new ATOM 0 HB3 SER A 27 13.621 -2.485 7.608 1.00 0.00 H new ATOM 0 HG SER A 27 15.029 -3.418 9.201 1.00 0.00 H new ATOM 416 N ILE A 28 10.297 -1.107 8.005 1.00 0.00 N ATOM 417 CA ILE A 28 9.888 0.245 7.664 1.00 0.00 C ATOM 418 C ILE A 28 10.989 0.915 6.839 1.00 0.00 C ATOM 419 O ILE A 28 11.231 2.113 6.977 1.00 0.00 O ATOM 420 CB ILE A 28 9.504 1.023 8.925 1.00 0.00 C ATOM 421 CG1 ILE A 28 10.676 1.089 9.906 1.00 0.00 C ATOM 422 CG2 ILE A 28 8.248 0.435 9.570 1.00 0.00 C ATOM 423 CD1 ILE A 28 10.420 2.130 10.997 1.00 0.00 C ATOM 0 H ILE A 28 9.566 -1.812 7.908 1.00 0.00 H new ATOM 0 HA ILE A 28 8.992 0.226 7.044 1.00 0.00 H new ATOM 0 HB ILE A 28 9.268 2.047 8.637 1.00 0.00 H new ATOM 0 HG12 ILE A 28 10.830 0.110 10.361 1.00 0.00 H new ATOM 0 HG13 ILE A 28 11.591 1.338 9.369 1.00 0.00 H new ATOM 0 HG21 ILE A 28 7.997 1.006 10.464 1.00 0.00 H new ATOM 0 HG22 ILE A 28 7.419 0.484 8.864 1.00 0.00 H new ATOM 0 HG23 ILE A 28 8.432 -0.604 9.843 1.00 0.00 H new ATOM 0 HD11 ILE A 28 11.268 2.157 11.681 1.00 0.00 H new ATOM 0 HD12 ILE A 28 10.291 3.111 10.540 1.00 0.00 H new ATOM 0 HD13 ILE A 28 9.518 1.865 11.548 1.00 0.00 H new ATOM 435 N THR A 29 11.627 0.112 6.001 1.00 0.00 N ATOM 436 CA THR A 29 12.697 0.612 5.154 1.00 0.00 C ATOM 437 C THR A 29 12.585 0.021 3.747 1.00 0.00 C ATOM 438 O THR A 29 13.504 0.150 2.940 1.00 0.00 O ATOM 439 CB THR A 29 14.028 0.298 5.840 1.00 0.00 C ATOM 440 OG1 THR A 29 14.142 1.297 6.850 1.00 0.00 O ATOM 441 CG2 THR A 29 15.231 0.552 4.929 1.00 0.00 C ATOM 0 H THR A 29 11.424 -0.881 5.890 1.00 0.00 H new ATOM 0 HA THR A 29 12.627 1.692 5.025 1.00 0.00 H new ATOM 0 HB THR A 29 14.032 -0.742 6.165 1.00 0.00 H new ATOM 0 HG1 THR A 29 13.642 1.017 7.645 1.00 0.00 H new ATOM 0 HG21 THR A 29 16.150 0.313 5.465 1.00 0.00 H new ATOM 0 HG22 THR A 29 15.155 -0.077 4.042 1.00 0.00 H new ATOM 0 HG23 THR A 29 15.247 1.600 4.631 1.00 0.00 H new ATOM 449 N ASP A 30 11.450 -0.616 3.497 1.00 0.00 N ATOM 450 CA ASP A 30 11.205 -1.227 2.201 1.00 0.00 C ATOM 451 C ASP A 30 10.051 -0.500 1.509 1.00 0.00 C ATOM 452 O ASP A 30 10.036 -0.377 0.285 1.00 0.00 O ATOM 453 CB ASP A 30 10.814 -2.699 2.352 1.00 0.00 C ATOM 454 CG ASP A 30 11.666 -3.680 1.544 1.00 0.00 C ATOM 455 OD1 ASP A 30 12.770 -3.265 1.130 1.00 0.00 O ATOM 456 OD2 ASP A 30 11.194 -4.823 1.360 1.00 0.00 O ATOM 0 H ASP A 30 10.690 -0.722 4.169 1.00 0.00 H new ATOM 0 HA ASP A 30 12.121 -1.155 1.615 1.00 0.00 H new ATOM 0 HB2 ASP A 30 10.876 -2.970 3.406 1.00 0.00 H new ATOM 0 HB3 ASP A 30 9.772 -2.815 2.054 1.00 0.00 H new ATOM 461 N GLY A 31 9.113 -0.037 2.322 1.00 0.00 N ATOM 462 CA GLY A 31 7.957 0.675 1.802 1.00 0.00 C ATOM 463 C GLY A 31 8.331 2.101 1.393 1.00 0.00 C ATOM 464 O GLY A 31 7.741 3.065 1.881 1.00 0.00 O ATOM 0 H GLY A 31 9.129 -0.141 3.337 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.552 0.140 0.943 1.00 0.00 H new ATOM 0 HA3 GLY A 31 7.172 0.703 2.558 1.00 0.00 H new ATOM 468 N LYS A 32 9.307 2.191 0.503 1.00 0.00 N ATOM 469 CA LYS A 32 9.766 3.484 0.023 1.00 0.00 C ATOM 470 C LYS A 32 10.086 3.385 -1.470 1.00 0.00 C ATOM 471 O LYS A 32 9.408 3.995 -2.296 1.00 0.00 O ATOM 472 CB LYS A 32 10.937 3.985 0.871 1.00 0.00 C ATOM 473 CG LYS A 32 11.901 2.845 1.204 1.00 0.00 C ATOM 474 CD LYS A 32 13.292 3.116 0.627 1.00 0.00 C ATOM 475 CE LYS A 32 14.384 2.579 1.553 1.00 0.00 C ATOM 476 NZ LYS A 32 15.675 3.248 1.276 1.00 0.00 N ATOM 0 H LYS A 32 9.793 1.390 0.101 1.00 0.00 H new ATOM 0 HA LYS A 32 8.980 4.232 0.132 1.00 0.00 H new ATOM 0 HB2 LYS A 32 11.469 4.771 0.334 1.00 0.00 H new ATOM 0 HB3 LYS A 32 10.560 4.428 1.793 1.00 0.00 H new ATOM 0 HG2 LYS A 32 11.969 2.726 2.285 1.00 0.00 H new ATOM 0 HG3 LYS A 32 11.514 1.908 0.804 1.00 0.00 H new ATOM 0 HD2 LYS A 32 13.380 2.649 -0.354 1.00 0.00 H new ATOM 0 HD3 LYS A 32 13.427 4.188 0.483 1.00 0.00 H new ATOM 0 HE2 LYS A 32 14.099 2.741 2.593 1.00 0.00 H new ATOM 0 HE3 LYS A 32 14.489 1.503 1.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 16.405 2.871 1.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 15.953 3.072 0.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 15.576 4.272 1.430 1.00 0.00 H new ATOM 490 N ILE A 33 11.119 2.611 -1.771 1.00 0.00 N ATOM 491 CA ILE A 33 11.536 2.424 -3.150 1.00 0.00 C ATOM 492 C ILE A 33 10.415 1.735 -3.930 1.00 0.00 C ATOM 493 O ILE A 33 10.029 2.193 -5.004 1.00 0.00 O ATOM 494 CB ILE A 33 12.873 1.682 -3.209 1.00 0.00 C ATOM 495 CG1 ILE A 33 14.043 2.640 -2.977 1.00 0.00 C ATOM 496 CG2 ILE A 33 13.014 0.911 -4.523 1.00 0.00 C ATOM 497 CD1 ILE A 33 15.276 1.887 -2.472 1.00 0.00 C ATOM 0 H ILE A 33 11.679 2.107 -1.084 1.00 0.00 H new ATOM 0 HA ILE A 33 11.711 3.388 -3.629 1.00 0.00 H new ATOM 0 HB ILE A 33 12.893 0.949 -2.402 1.00 0.00 H new ATOM 0 HG12 ILE A 33 14.284 3.158 -3.906 1.00 0.00 H new ATOM 0 HG13 ILE A 33 13.756 3.402 -2.252 1.00 0.00 H new ATOM 0 HG21 ILE A 33 13.973 0.393 -4.540 1.00 0.00 H new ATOM 0 HG22 ILE A 33 12.207 0.184 -4.606 1.00 0.00 H new ATOM 0 HG23 ILE A 33 12.963 1.607 -5.360 1.00 0.00 H new ATOM 0 HD11 ILE A 33 16.093 2.591 -2.315 1.00 0.00 H new ATOM 0 HD12 ILE A 33 15.039 1.391 -1.531 1.00 0.00 H new ATOM 0 HD13 ILE A 33 15.575 1.142 -3.210 1.00 0.00 H new ATOM 509 N PHE A 34 9.923 0.646 -3.358 1.00 0.00 N ATOM 510 CA PHE A 34 8.854 -0.111 -3.985 1.00 0.00 C ATOM 511 C PHE A 34 7.638 0.778 -4.255 1.00 0.00 C ATOM 512 O PHE A 34 6.796 0.448 -5.089 1.00 0.00 O ATOM 513 CB PHE A 34 8.455 -1.217 -3.007 1.00 0.00 C ATOM 514 CG PHE A 34 7.110 -1.874 -3.324 1.00 0.00 C ATOM 515 CD1 PHE A 34 7.002 -2.728 -4.377 1.00 0.00 C ATOM 516 CD2 PHE A 34 6.022 -1.604 -2.554 1.00 0.00 C ATOM 517 CE1 PHE A 34 5.754 -3.338 -4.672 1.00 0.00 C ATOM 518 CE2 PHE A 34 4.774 -2.214 -2.849 1.00 0.00 C ATOM 519 CZ PHE A 34 4.666 -3.068 -3.902 1.00 0.00 C ATOM 0 H PHE A 34 10.246 0.270 -2.466 1.00 0.00 H new ATOM 0 HA PHE A 34 9.194 -0.515 -4.938 1.00 0.00 H new ATOM 0 HB2 PHE A 34 9.230 -1.983 -3.005 1.00 0.00 H new ATOM 0 HB3 PHE A 34 8.416 -0.801 -2.000 1.00 0.00 H new ATOM 0 HD1 PHE A 34 7.866 -2.942 -4.989 1.00 0.00 H new ATOM 0 HD2 PHE A 34 6.107 -0.926 -1.718 1.00 0.00 H new ATOM 0 HE1 PHE A 34 5.669 -4.016 -5.508 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.910 -2.000 -2.237 1.00 0.00 H new ATOM 0 HZ PHE A 34 3.717 -3.531 -4.127 1.00 0.00 H new ATOM 529 N PHE A 35 7.585 1.888 -3.533 1.00 0.00 N ATOM 530 CA PHE A 35 6.486 2.826 -3.684 1.00 0.00 C ATOM 531 C PHE A 35 6.954 4.111 -4.371 1.00 0.00 C ATOM 532 O PHE A 35 6.191 5.069 -4.489 1.00 0.00 O ATOM 533 CB PHE A 35 5.991 3.165 -2.277 1.00 0.00 C ATOM 534 CG PHE A 35 4.888 4.225 -2.244 1.00 0.00 C ATOM 535 CD1 PHE A 35 3.622 3.901 -2.621 1.00 0.00 C ATOM 536 CD2 PHE A 35 5.173 5.491 -1.838 1.00 0.00 C ATOM 537 CE1 PHE A 35 2.598 4.884 -2.590 1.00 0.00 C ATOM 538 CE2 PHE A 35 4.149 6.475 -1.808 1.00 0.00 C ATOM 539 CZ PHE A 35 2.883 6.150 -2.184 1.00 0.00 C ATOM 0 H PHE A 35 8.285 2.158 -2.842 1.00 0.00 H new ATOM 0 HA PHE A 35 5.700 2.384 -4.296 1.00 0.00 H new ATOM 0 HB2 PHE A 35 5.621 2.255 -1.804 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.834 3.514 -1.681 1.00 0.00 H new ATOM 0 HD1 PHE A 35 3.396 2.896 -2.944 1.00 0.00 H new ATOM 0 HD2 PHE A 35 6.178 5.748 -1.538 1.00 0.00 H new ATOM 0 HE1 PHE A 35 1.593 4.626 -2.889 1.00 0.00 H new ATOM 0 HE2 PHE A 35 4.376 7.481 -1.487 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.104 6.898 -2.160 1.00 0.00 H new ATOM 549 N ASN A 36 8.205 4.091 -4.805 1.00 0.00 N ATOM 550 CA ASN A 36 8.783 5.243 -5.477 1.00 0.00 C ATOM 551 C ASN A 36 9.654 4.765 -6.640 1.00 0.00 C ATOM 552 O ASN A 36 10.556 5.477 -7.078 1.00 0.00 O ATOM 553 CB ASN A 36 9.668 6.049 -4.524 1.00 0.00 C ATOM 554 CG ASN A 36 8.834 6.700 -3.419 1.00 0.00 C ATOM 555 OD1 ASN A 36 7.615 6.659 -3.421 1.00 0.00 O ATOM 556 ND2 ASN A 36 9.556 7.303 -2.479 1.00 0.00 N ATOM 0 H ASN A 36 8.835 3.295 -4.705 1.00 0.00 H new ATOM 0 HA ASN A 36 7.966 5.872 -5.831 1.00 0.00 H new ATOM 0 HB2 ASN A 36 10.420 5.396 -4.080 1.00 0.00 H new ATOM 0 HB3 ASN A 36 10.203 6.818 -5.082 1.00 0.00 H new ATOM 0 HD21 ASN A 36 9.091 7.768 -1.699 1.00 0.00 H new ATOM 0 HD22 ASN A 36 10.574 7.300 -2.538 1.00 0.00 H new ATOM 563 N ARG A 37 9.353 3.562 -7.108 1.00 0.00 N ATOM 564 CA ARG A 37 10.097 2.982 -8.213 1.00 0.00 C ATOM 565 C ARG A 37 9.276 3.054 -9.502 1.00 0.00 C ATOM 566 O ARG A 37 8.330 2.289 -9.683 1.00 0.00 O ATOM 567 CB ARG A 37 10.458 1.523 -7.927 1.00 0.00 C ATOM 568 CG ARG A 37 11.529 1.022 -8.898 1.00 0.00 C ATOM 569 CD ARG A 37 12.623 0.250 -8.157 1.00 0.00 C ATOM 570 NE ARG A 37 12.925 -1.011 -8.871 1.00 0.00 N ATOM 571 CZ ARG A 37 12.082 -2.049 -8.950 1.00 0.00 C ATOM 572 NH1 ARG A 37 10.880 -1.983 -8.361 1.00 0.00 N ATOM 573 NH2 ARG A 37 12.440 -3.154 -9.619 1.00 0.00 N ATOM 0 H ARG A 37 8.604 2.974 -6.742 1.00 0.00 H new ATOM 0 HA ARG A 37 11.016 3.556 -8.332 1.00 0.00 H new ATOM 0 HB2 ARG A 37 10.818 1.428 -6.903 1.00 0.00 H new ATOM 0 HB3 ARG A 37 9.567 0.901 -8.011 1.00 0.00 H new ATOM 0 HG2 ARG A 37 11.071 0.379 -9.650 1.00 0.00 H new ATOM 0 HG3 ARG A 37 11.970 1.867 -9.427 1.00 0.00 H new ATOM 0 HD2 ARG A 37 13.523 0.860 -8.083 1.00 0.00 H new ATOM 0 HD3 ARG A 37 12.300 0.033 -7.139 1.00 0.00 H new ATOM 0 HE ARG A 37 13.831 -1.095 -9.331 1.00 0.00 H new ATOM 0 HH11 ARG A 37 10.607 -1.142 -7.852 1.00 0.00 H new ATOM 0 HH12 ARG A 37 10.238 -2.774 -8.421 1.00 0.00 H new ATOM 0 HH21 ARG A 37 13.354 -3.205 -10.068 1.00 0.00 H new ATOM 0 HH22 ARG A 37 11.798 -3.944 -9.679 1.00 0.00 H new ATOM 587 N LYS A 38 9.669 3.980 -10.365 1.00 0.00 N ATOM 588 CA LYS A 38 8.981 4.161 -11.631 1.00 0.00 C ATOM 589 C LYS A 38 9.005 2.846 -12.413 1.00 0.00 C ATOM 590 O LYS A 38 9.959 2.569 -13.139 1.00 0.00 O ATOM 591 CB LYS A 38 9.575 5.344 -12.399 1.00 0.00 C ATOM 592 CG LYS A 38 8.964 5.454 -13.797 1.00 0.00 C ATOM 593 CD LYS A 38 7.748 6.383 -13.792 1.00 0.00 C ATOM 594 CE LYS A 38 8.170 7.838 -13.580 1.00 0.00 C ATOM 595 NZ LYS A 38 9.189 8.232 -14.579 1.00 0.00 N ATOM 0 H LYS A 38 10.455 4.612 -10.212 1.00 0.00 H new ATOM 0 HA LYS A 38 7.934 4.413 -11.463 1.00 0.00 H new ATOM 0 HB2 LYS A 38 9.397 6.267 -11.847 1.00 0.00 H new ATOM 0 HB3 LYS A 38 10.655 5.224 -12.479 1.00 0.00 H new ATOM 0 HG2 LYS A 38 9.711 5.831 -14.496 1.00 0.00 H new ATOM 0 HG3 LYS A 38 8.669 4.465 -14.148 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.211 6.290 -14.736 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.059 6.082 -13.003 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.301 8.491 -13.661 1.00 0.00 H new ATOM 0 HE3 LYS A 38 8.570 7.964 -12.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 9.030 9.219 -14.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 10.137 8.141 -14.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 9.116 7.613 -15.412 1.00 0.00 H new ATOM 609 N PHE A 39 7.944 2.072 -12.239 1.00 0.00 N ATOM 610 CA PHE A 39 7.832 0.793 -12.919 1.00 0.00 C ATOM 611 C PHE A 39 6.968 0.914 -14.176 1.00 0.00 C ATOM 612 O PHE A 39 6.235 1.889 -14.338 1.00 0.00 O ATOM 613 CB PHE A 39 7.159 -0.175 -11.944 1.00 0.00 C ATOM 614 CG PHE A 39 5.820 0.323 -11.398 1.00 0.00 C ATOM 615 CD1 PHE A 39 4.701 0.248 -12.168 1.00 0.00 C ATOM 616 CD2 PHE A 39 5.747 0.840 -10.142 1.00 0.00 C ATOM 617 CE1 PHE A 39 3.458 0.710 -11.661 1.00 0.00 C ATOM 618 CE2 PHE A 39 4.504 1.302 -9.635 1.00 0.00 C ATOM 619 CZ PHE A 39 3.385 1.228 -10.406 1.00 0.00 C ATOM 0 H PHE A 39 7.154 2.306 -11.637 1.00 0.00 H new ATOM 0 HA PHE A 39 8.820 0.445 -13.221 1.00 0.00 H new ATOM 0 HB2 PHE A 39 7.003 -1.130 -12.446 1.00 0.00 H new ATOM 0 HB3 PHE A 39 7.834 -0.361 -11.109 1.00 0.00 H new ATOM 0 HD1 PHE A 39 4.758 -0.163 -13.165 1.00 0.00 H new ATOM 0 HD2 PHE A 39 6.635 0.899 -9.530 1.00 0.00 H new ATOM 0 HE1 PHE A 39 2.570 0.650 -12.273 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.446 1.712 -8.638 1.00 0.00 H new ATOM 0 HZ PHE A 39 2.439 1.581 -10.021 1.00 0.00 H new ATOM 629 N LYS A 40 7.082 -0.089 -15.033 1.00 0.00 N ATOM 630 CA LYS A 40 6.321 -0.107 -16.271 1.00 0.00 C ATOM 631 C LYS A 40 5.218 -1.164 -16.171 1.00 0.00 C ATOM 632 O LYS A 40 5.425 -2.229 -15.592 1.00 0.00 O ATOM 633 CB LYS A 40 7.251 -0.301 -17.470 1.00 0.00 C ATOM 634 CG LYS A 40 6.546 0.069 -18.776 1.00 0.00 C ATOM 635 CD LYS A 40 6.944 -0.886 -19.903 1.00 0.00 C ATOM 636 CE LYS A 40 7.347 -0.113 -21.160 1.00 0.00 C ATOM 637 NZ LYS A 40 6.195 0.650 -21.692 1.00 0.00 N ATOM 0 H LYS A 40 7.690 -0.896 -14.895 1.00 0.00 H new ATOM 0 HA LYS A 40 5.830 0.853 -16.430 1.00 0.00 H new ATOM 0 HB2 LYS A 40 8.142 0.314 -17.347 1.00 0.00 H new ATOM 0 HB3 LYS A 40 7.583 -1.338 -17.513 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.466 0.037 -18.632 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.801 1.092 -19.054 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.773 -1.514 -19.577 1.00 0.00 H new ATOM 0 HD3 LYS A 40 6.111 -1.551 -20.132 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.166 0.568 -20.928 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.713 -0.805 -21.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 5.943 0.287 -22.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 5.383 0.544 -21.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 6.449 1.656 -21.765 1.00 0.00 H new ATOM 651 N THR A 41 4.071 -0.831 -16.744 1.00 0.00 N ATOM 652 CA THR A 41 2.936 -1.738 -16.727 1.00 0.00 C ATOM 653 C THR A 41 2.860 -2.523 -18.038 1.00 0.00 C ATOM 654 O THR A 41 3.328 -2.088 -19.087 1.00 0.00 O ATOM 655 CB THR A 41 1.678 -0.916 -16.438 1.00 0.00 C ATOM 656 OG1 THR A 41 1.447 -0.199 -17.647 1.00 0.00 O ATOM 657 CG2 THR A 41 1.921 0.178 -15.396 1.00 0.00 C ATOM 0 H THR A 41 3.903 0.054 -17.223 1.00 0.00 H new ATOM 0 HA THR A 41 3.041 -2.487 -15.942 1.00 0.00 H new ATOM 0 HB THR A 41 0.883 -1.577 -16.092 1.00 0.00 H new ATOM 0 HG1 THR A 41 1.742 0.729 -17.538 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.997 0.732 -15.228 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.247 -0.277 -14.461 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.692 0.859 -15.757 1.00 0.00 H new ATOM 665 N PRO A 42 2.252 -3.709 -17.951 1.00 0.00 N ATOM 666 CA PRO A 42 2.068 -4.614 -19.065 1.00 0.00 C ATOM 667 C PRO A 42 1.161 -3.969 -20.103 1.00 0.00 C ATOM 668 O PRO A 42 1.010 -4.527 -21.188 1.00 0.00 O ATOM 669 CB PRO A 42 1.411 -5.852 -18.458 1.00 0.00 C ATOM 670 CG PRO A 42 0.647 -5.265 -17.197 1.00 0.00 C ATOM 671 CD PRO A 42 1.691 -4.252 -16.733 1.00 0.00 C ATOM 0 HA PRO A 42 3.002 -4.862 -19.569 1.00 0.00 H new ATOM 0 HB2 PRO A 42 0.727 -6.331 -19.158 1.00 0.00 H new ATOM 0 HB3 PRO A 42 2.149 -6.601 -18.171 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -0.303 -4.800 -17.460 1.00 0.00 H new ATOM 0 HG3 PRO A 42 0.433 -6.024 -16.444 1.00 0.00 H new ATOM 0 HD2 PRO A 42 1.238 -3.470 -16.124 1.00 0.00 H new ATOM 0 HD3 PRO A 42 2.459 -4.728 -16.123 1.00 0.00 H new ATOM 679 N SER A 43 0.582 -2.828 -19.758 1.00 0.00 N ATOM 680 CA SER A 43 -0.304 -2.132 -20.676 1.00 0.00 C ATOM 681 C SER A 43 0.422 -0.937 -21.298 1.00 0.00 C ATOM 682 O SER A 43 -0.191 0.096 -21.565 1.00 0.00 O ATOM 683 CB SER A 43 -1.577 -1.668 -19.966 1.00 0.00 C ATOM 684 OG SER A 43 -1.455 -0.341 -19.462 1.00 0.00 O ATOM 0 H SER A 43 0.709 -2.368 -18.856 1.00 0.00 H new ATOM 0 HA SER A 43 -0.593 -2.826 -21.466 1.00 0.00 H new ATOM 0 HB2 SER A 43 -2.417 -1.716 -20.659 1.00 0.00 H new ATOM 0 HB3 SER A 43 -1.802 -2.348 -19.145 1.00 0.00 H new ATOM 0 HG SER A 43 -1.357 0.285 -20.210 1.00 0.00 H new ATOM 690 N GLY A 44 1.717 -1.118 -21.512 1.00 0.00 N ATOM 691 CA GLY A 44 2.533 -0.068 -22.098 1.00 0.00 C ATOM 692 C GLY A 44 2.149 1.303 -21.536 1.00 0.00 C ATOM 693 O GLY A 44 1.431 2.064 -22.183 1.00 0.00 O ATOM 0 H GLY A 44 2.221 -1.976 -21.290 1.00 0.00 H new ATOM 0 HA2 GLY A 44 3.586 -0.266 -21.897 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.410 -0.069 -23.181 1.00 0.00 H new ATOM 697 N LYS A 45 2.643 1.575 -20.337 1.00 0.00 N ATOM 698 CA LYS A 45 2.361 2.840 -19.681 1.00 0.00 C ATOM 699 C LYS A 45 3.027 2.855 -18.304 1.00 0.00 C ATOM 700 O LYS A 45 2.553 2.206 -17.373 1.00 0.00 O ATOM 701 CB LYS A 45 0.854 3.097 -19.638 1.00 0.00 C ATOM 702 CG LYS A 45 0.528 4.308 -18.761 1.00 0.00 C ATOM 703 CD LYS A 45 -0.853 4.873 -19.097 1.00 0.00 C ATOM 704 CE LYS A 45 -1.510 5.487 -17.859 1.00 0.00 C ATOM 705 NZ LYS A 45 -2.537 4.574 -17.310 1.00 0.00 N ATOM 0 H LYS A 45 3.237 0.941 -19.803 1.00 0.00 H new ATOM 0 HA LYS A 45 2.786 3.667 -20.250 1.00 0.00 H new ATOM 0 HB2 LYS A 45 0.481 3.265 -20.648 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.342 2.216 -19.252 1.00 0.00 H new ATOM 0 HG2 LYS A 45 0.561 4.020 -17.710 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.285 5.079 -18.904 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.761 5.629 -19.877 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -1.487 4.081 -19.495 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -0.753 5.690 -17.101 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.966 6.443 -18.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -2.973 5.006 -16.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -3.268 4.401 -18.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.093 3.672 -17.044 1.00 0.00 H new ATOM 719 N GLU A 46 4.118 3.603 -18.217 1.00 0.00 N ATOM 720 CA GLU A 46 4.854 3.712 -16.969 1.00 0.00 C ATOM 721 C GLU A 46 3.978 4.352 -15.890 1.00 0.00 C ATOM 722 O GLU A 46 3.072 5.124 -16.198 1.00 0.00 O ATOM 723 CB GLU A 46 6.150 4.502 -17.164 1.00 0.00 C ATOM 724 CG GLU A 46 5.855 5.942 -17.589 1.00 0.00 C ATOM 725 CD GLU A 46 5.818 6.066 -19.114 1.00 0.00 C ATOM 726 OE1 GLU A 46 6.915 6.035 -19.713 1.00 0.00 O ATOM 727 OE2 GLU A 46 4.694 6.189 -19.646 1.00 0.00 O ATOM 0 H GLU A 46 4.510 4.139 -18.991 1.00 0.00 H new ATOM 0 HA GLU A 46 5.125 2.709 -16.641 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.723 4.503 -16.237 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.767 4.015 -17.919 1.00 0.00 H new ATOM 0 HG2 GLU A 46 4.900 6.260 -17.171 1.00 0.00 H new ATOM 0 HG3 GLU A 46 6.617 6.608 -17.185 1.00 0.00 H new ATOM 734 N ALA A 47 4.280 4.006 -14.647 1.00 0.00 N ATOM 735 CA ALA A 47 3.531 4.538 -13.521 1.00 0.00 C ATOM 736 C ALA A 47 4.319 4.297 -12.231 1.00 0.00 C ATOM 737 O ALA A 47 5.401 3.713 -12.261 1.00 0.00 O ATOM 738 CB ALA A 47 2.142 3.898 -13.483 1.00 0.00 C ATOM 0 H ALA A 47 5.032 3.365 -14.395 1.00 0.00 H new ATOM 0 HA ALA A 47 3.391 5.614 -13.627 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.580 4.297 -12.638 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.613 4.122 -14.409 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.242 2.818 -13.374 1.00 0.00 H new ATOM 744 N ALA A 48 3.746 4.759 -11.130 1.00 0.00 N ATOM 745 CA ALA A 48 4.381 4.601 -9.833 1.00 0.00 C ATOM 746 C ALA A 48 3.321 4.706 -8.734 1.00 0.00 C ATOM 747 O ALA A 48 2.274 5.320 -8.934 1.00 0.00 O ATOM 748 CB ALA A 48 5.488 5.645 -9.676 1.00 0.00 C ATOM 0 H ALA A 48 2.848 5.243 -11.109 1.00 0.00 H new ATOM 0 HA ALA A 48 4.845 3.618 -9.751 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.964 5.527 -8.703 1.00 0.00 H new ATOM 0 HB2 ALA A 48 6.230 5.509 -10.462 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.059 6.644 -9.751 1.00 0.00 H new ATOM 754 N CYS A 49 3.629 4.096 -7.599 1.00 0.00 N ATOM 755 CA CYS A 49 2.715 4.113 -6.469 1.00 0.00 C ATOM 756 C CYS A 49 2.656 5.540 -5.921 1.00 0.00 C ATOM 757 O CYS A 49 1.810 5.853 -5.085 1.00 0.00 O ATOM 758 CB CYS A 49 3.127 3.105 -5.394 1.00 0.00 C ATOM 759 SG CYS A 49 3.292 1.380 -5.982 1.00 0.00 S ATOM 0 H CYS A 49 4.498 3.587 -7.437 1.00 0.00 H new ATOM 0 HA CYS A 49 1.721 3.809 -6.797 1.00 0.00 H new ATOM 0 HB2 CYS A 49 4.078 3.420 -4.966 1.00 0.00 H new ATOM 0 HB3 CYS A 49 2.391 3.131 -4.590 1.00 0.00 H new ATOM 0 HG CYS A 49 3.646 0.616 -4.992 1.00 0.00 H new ATOM 764 N ALA A 50 3.565 6.368 -6.414 1.00 0.00 N ATOM 765 CA ALA A 50 3.627 7.754 -5.984 1.00 0.00 C ATOM 766 C ALA A 50 3.096 8.654 -7.102 1.00 0.00 C ATOM 767 O ALA A 50 3.202 9.877 -7.022 1.00 0.00 O ATOM 768 CB ALA A 50 5.063 8.102 -5.588 1.00 0.00 C ATOM 0 H ALA A 50 4.265 6.105 -7.108 1.00 0.00 H new ATOM 0 HA ALA A 50 3.000 7.912 -5.107 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.110 9.142 -5.265 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.382 7.454 -4.772 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.722 7.958 -6.444 1.00 0.00 H new ATOM 774 N SER A 51 2.536 8.014 -8.118 1.00 0.00 N ATOM 775 CA SER A 51 1.988 8.742 -9.250 1.00 0.00 C ATOM 776 C SER A 51 0.649 9.374 -8.867 1.00 0.00 C ATOM 777 O SER A 51 0.337 10.484 -9.295 1.00 0.00 O ATOM 778 CB SER A 51 1.816 7.825 -10.462 1.00 0.00 C ATOM 779 OG SER A 51 0.485 7.327 -10.570 1.00 0.00 O ATOM 0 H SER A 51 2.450 7.000 -8.181 1.00 0.00 H new ATOM 0 HA SER A 51 2.689 9.531 -9.522 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.073 8.371 -11.369 1.00 0.00 H new ATOM 0 HB3 SER A 51 2.511 6.989 -10.385 1.00 0.00 H new ATOM 0 HG SER A 51 0.416 6.747 -11.357 1.00 0.00 H new ATOM 785 N CYS A 52 -0.109 8.639 -8.066 1.00 0.00 N ATOM 786 CA CYS A 52 -1.408 9.114 -7.621 1.00 0.00 C ATOM 787 C CYS A 52 -1.339 9.359 -6.112 1.00 0.00 C ATOM 788 O CYS A 52 -1.849 10.359 -5.612 1.00 0.00 O ATOM 789 CB CYS A 52 -2.524 8.135 -7.990 1.00 0.00 C ATOM 790 SG CYS A 52 -2.396 7.676 -9.757 1.00 0.00 S ATOM 0 H CYS A 52 0.152 7.718 -7.714 1.00 0.00 H new ATOM 0 HA CYS A 52 -1.651 10.048 -8.129 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -2.456 7.242 -7.368 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -3.496 8.588 -7.793 1.00 0.00 H new ATOM 0 HG CYS A 52 -1.151 7.721 -10.128 1.00 0.00 H new ATOM 795 N HIS A 53 -0.697 8.419 -5.418 1.00 0.00 N ATOM 796 CA HIS A 53 -0.530 8.480 -3.970 1.00 0.00 C ATOM 797 C HIS A 53 0.700 9.339 -3.624 1.00 0.00 C ATOM 798 O HIS A 53 1.155 9.335 -2.481 1.00 0.00 O ATOM 799 CB HIS A 53 -0.477 7.049 -3.415 1.00 0.00 C ATOM 800 CG HIS A 53 -1.625 6.135 -3.781 1.00 0.00 C ATOM 801 ND1 HIS A 53 -2.901 6.455 -3.549 1.00 0.00 N ATOM 802 CD2 HIS A 53 -1.643 4.895 -4.373 1.00 0.00 C ATOM 803 CE1 HIS A 53 -3.684 5.454 -3.979 1.00 0.00 C ATOM 804 NE2 HIS A 53 -2.958 4.465 -4.497 1.00 0.00 N ATOM 0 H HIS A 53 -0.278 7.594 -5.847 1.00 0.00 H new ATOM 0 HA HIS A 53 -1.378 8.970 -3.491 1.00 0.00 H new ATOM 0 HB2 HIS A 53 0.449 6.586 -3.756 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -0.422 7.108 -2.328 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -3.227 7.319 -3.116 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -0.772 4.342 -4.692 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -4.762 5.451 -3.914 1.00 0.00 H new ATOM 812 N THR A 54 1.196 10.049 -4.626 1.00 0.00 N ATOM 813 CA THR A 54 2.355 10.904 -4.437 1.00 0.00 C ATOM 814 C THR A 54 3.484 10.128 -3.755 1.00 0.00 C ATOM 815 O THR A 54 3.284 9.000 -3.306 1.00 0.00 O ATOM 816 CB THR A 54 1.908 12.140 -3.653 1.00 0.00 C ATOM 817 OG1 THR A 54 1.282 11.606 -2.490 1.00 0.00 O ATOM 818 CG2 THR A 54 0.789 12.908 -4.360 1.00 0.00 C ATOM 0 H THR A 54 0.816 10.050 -5.573 1.00 0.00 H new ATOM 0 HA THR A 54 2.761 11.236 -5.392 1.00 0.00 H new ATOM 0 HB THR A 54 2.761 12.801 -3.500 1.00 0.00 H new ATOM 0 HG1 THR A 54 1.833 10.882 -2.125 1.00 0.00 H new ATOM 0 HG21 THR A 54 0.509 13.775 -3.762 1.00 0.00 H new ATOM 0 HG22 THR A 54 1.137 13.239 -5.339 1.00 0.00 H new ATOM 0 HG23 THR A 54 -0.077 12.258 -4.484 1.00 0.00 H new ATOM 826 N ASN A 55 4.645 10.764 -3.698 1.00 0.00 N ATOM 827 CA ASN A 55 5.806 10.147 -3.079 1.00 0.00 C ATOM 828 C ASN A 55 5.434 9.665 -1.675 1.00 0.00 C ATOM 829 O ASN A 55 6.095 8.789 -1.120 1.00 0.00 O ATOM 830 CB ASN A 55 6.956 11.148 -2.945 1.00 0.00 C ATOM 831 CG ASN A 55 6.471 12.461 -2.329 1.00 0.00 C ATOM 832 OD1 ASN A 55 6.309 12.590 -1.126 1.00 0.00 O ATOM 833 ND2 ASN A 55 6.249 13.426 -3.217 1.00 0.00 N ATOM 0 H ASN A 55 4.807 11.700 -4.070 1.00 0.00 H new ATOM 0 HA ASN A 55 6.122 9.316 -3.709 1.00 0.00 H new ATOM 0 HB2 ASN A 55 7.744 10.721 -2.325 1.00 0.00 H new ATOM 0 HB3 ASN A 55 7.391 11.341 -3.926 1.00 0.00 H new ATOM 0 HD21 ASN A 55 5.923 14.341 -2.905 1.00 0.00 H new ATOM 0 HD22 ASN A 55 6.405 13.251 -4.210 1.00 0.00 H new ATOM 840 N ASN A 56 4.377 10.259 -1.141 1.00 0.00 N ATOM 841 CA ASN A 56 3.908 9.901 0.187 1.00 0.00 C ATOM 842 C ASN A 56 2.383 9.780 0.170 1.00 0.00 C ATOM 843 O ASN A 56 1.662 10.683 -0.249 1.00 0.00 O ATOM 844 CB ASN A 56 4.287 10.972 1.212 1.00 0.00 C ATOM 845 CG ASN A 56 4.623 10.343 2.565 1.00 0.00 C ATOM 846 OD1 ASN A 56 5.262 9.307 2.656 1.00 0.00 O ATOM 847 ND2 ASN A 56 4.158 11.024 3.609 1.00 0.00 N ATOM 0 H ASN A 56 3.832 10.986 -1.604 1.00 0.00 H new ATOM 0 HA ASN A 56 4.373 8.955 0.465 1.00 0.00 H new ATOM 0 HB2 ASN A 56 5.143 11.541 0.849 1.00 0.00 H new ATOM 0 HB3 ASN A 56 3.463 11.676 1.329 1.00 0.00 H new ATOM 0 HD21 ASN A 56 4.329 10.686 4.556 1.00 0.00 H new ATOM 0 HD22 ASN A 56 3.630 11.884 3.463 1.00 0.00 H new ATOM 854 N PRO A 57 1.903 8.628 0.643 1.00 0.00 N ATOM 855 CA PRO A 57 0.496 8.301 0.722 1.00 0.00 C ATOM 856 C PRO A 57 -0.165 9.148 1.800 1.00 0.00 C ATOM 857 O PRO A 57 -1.253 9.669 1.562 1.00 0.00 O ATOM 858 CB PRO A 57 0.458 6.819 1.089 1.00 0.00 C ATOM 859 CG PRO A 57 1.747 6.604 1.845 1.00 0.00 C ATOM 860 CD PRO A 57 2.723 7.545 1.144 1.00 0.00 C ATOM 0 HA PRO A 57 -0.038 8.496 -0.208 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.411 6.581 1.703 1.00 0.00 H new ATOM 0 HB3 PRO A 57 0.404 6.188 0.202 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.640 6.849 2.902 1.00 0.00 H new ATOM 0 HG3 PRO A 57 2.078 5.567 1.790 1.00 0.00 H new ATOM 0 HD2 PRO A 57 3.483 7.912 1.834 1.00 0.00 H new ATOM 0 HD3 PRO A 57 3.247 7.038 0.333 1.00 0.00 H new ATOM 868 N ALA A 58 0.489 9.267 2.946 1.00 0.00 N ATOM 869 CA ALA A 58 -0.055 10.051 4.041 1.00 0.00 C ATOM 870 C ALA A 58 -0.386 11.458 3.539 1.00 0.00 C ATOM 871 O ALA A 58 -1.158 12.180 4.169 1.00 0.00 O ATOM 872 CB ALA A 58 0.940 10.066 5.203 1.00 0.00 C ATOM 0 H ALA A 58 1.391 8.833 3.140 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.979 9.606 4.410 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.531 10.654 6.024 1.00 0.00 H new ATOM 0 HB2 ALA A 58 1.119 9.046 5.542 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.879 10.509 4.872 1.00 0.00 H new ATOM 878 N ASN A 59 0.214 11.806 2.411 1.00 0.00 N ATOM 879 CA ASN A 59 -0.007 13.113 1.817 1.00 0.00 C ATOM 880 C ASN A 59 -1.238 13.056 0.911 1.00 0.00 C ATOM 881 O ASN A 59 -1.822 11.991 0.718 1.00 0.00 O ATOM 882 CB ASN A 59 1.189 13.540 0.963 1.00 0.00 C ATOM 883 CG ASN A 59 1.316 15.064 0.921 1.00 0.00 C ATOM 884 OD1 ASN A 59 0.364 15.799 1.129 1.00 0.00 O ATOM 885 ND2 ASN A 59 2.542 15.497 0.640 1.00 0.00 N ATOM 0 H ASN A 59 0.854 11.205 1.892 1.00 0.00 H new ATOM 0 HA ASN A 59 -0.147 13.831 2.625 1.00 0.00 H new ATOM 0 HB2 ASN A 59 2.103 13.106 1.368 1.00 0.00 H new ATOM 0 HB3 ASN A 59 1.074 13.153 -0.049 1.00 0.00 H new ATOM 0 HD21 ASN A 59 2.730 16.498 0.588 1.00 0.00 H new ATOM 0 HD22 ASN A 59 3.294 14.828 0.477 1.00 0.00 H new ATOM 892 N VAL A 60 -1.596 14.215 0.379 1.00 0.00 N ATOM 893 CA VAL A 60 -2.748 14.310 -0.503 1.00 0.00 C ATOM 894 C VAL A 60 -2.380 13.746 -1.877 1.00 0.00 C ATOM 895 O VAL A 60 -1.380 14.147 -2.470 1.00 0.00 O ATOM 896 CB VAL A 60 -3.243 15.756 -0.563 1.00 0.00 C ATOM 897 CG1 VAL A 60 -4.365 15.909 -1.592 1.00 0.00 C ATOM 898 CG2 VAL A 60 -3.693 16.239 0.817 1.00 0.00 C ATOM 0 H VAL A 60 -1.109 15.097 0.541 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.575 13.714 -0.118 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.410 16.383 -0.881 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.699 16.946 -1.615 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.996 15.625 -2.578 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.200 15.265 -1.318 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.040 17.270 0.746 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.505 15.607 1.177 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.855 16.185 1.512 1.00 0.00 H new ATOM 908 N GLY A 61 -3.210 12.824 -2.344 1.00 0.00 N ATOM 909 CA GLY A 61 -2.984 12.201 -3.637 1.00 0.00 C ATOM 910 C GLY A 61 -3.882 12.822 -4.708 1.00 0.00 C ATOM 911 O GLY A 61 -4.589 13.793 -4.444 1.00 0.00 O ATOM 0 H GLY A 61 -4.039 12.494 -1.850 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -1.938 12.316 -3.922 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -3.180 11.131 -3.569 1.00 0.00 H new ATOM 915 N LYS A 62 -3.825 12.236 -5.895 1.00 0.00 N ATOM 916 CA LYS A 62 -4.625 12.720 -7.008 1.00 0.00 C ATOM 917 C LYS A 62 -4.686 11.643 -8.093 1.00 0.00 C ATOM 918 O LYS A 62 -3.671 11.031 -8.423 1.00 0.00 O ATOM 919 CB LYS A 62 -4.091 14.065 -7.506 1.00 0.00 C ATOM 920 CG LYS A 62 -4.749 14.459 -8.830 1.00 0.00 C ATOM 921 CD LYS A 62 -4.142 15.751 -9.380 1.00 0.00 C ATOM 922 CE LYS A 62 -2.627 15.617 -9.548 1.00 0.00 C ATOM 923 NZ LYS A 62 -1.920 16.456 -8.556 1.00 0.00 N ATOM 0 H LYS A 62 -3.237 11.431 -6.111 1.00 0.00 H new ATOM 0 HA LYS A 62 -5.650 12.908 -6.687 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -4.280 14.835 -6.758 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -3.010 14.006 -7.636 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.623 13.656 -9.556 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -5.821 14.590 -8.683 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -4.598 15.991 -10.340 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -4.365 16.578 -8.706 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -2.333 14.575 -9.427 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -2.339 15.915 -10.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -0.893 16.354 -8.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.188 17.452 -8.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -2.181 16.153 -7.596 1.00 0.00 H new ATOM 937 N ASN A 63 -5.886 11.444 -8.618 1.00 0.00 N ATOM 938 CA ASN A 63 -6.093 10.451 -9.658 1.00 0.00 C ATOM 939 C ASN A 63 -5.742 11.062 -11.017 1.00 0.00 C ATOM 940 O ASN A 63 -6.209 12.150 -11.352 1.00 0.00 O ATOM 941 CB ASN A 63 -7.554 10.000 -9.707 1.00 0.00 C ATOM 942 CG ASN A 63 -7.864 9.025 -8.569 1.00 0.00 C ATOM 943 OD1 ASN A 63 -6.983 8.453 -7.949 1.00 0.00 O ATOM 944 ND2 ASN A 63 -9.163 8.868 -8.330 1.00 0.00 N ATOM 0 H ASN A 63 -6.725 11.954 -8.342 1.00 0.00 H new ATOM 0 HA ASN A 63 -5.458 9.593 -9.436 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -8.209 10.868 -9.636 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -7.760 9.523 -10.665 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -9.473 8.238 -7.590 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -9.849 9.378 -8.887 1.00 0.00 H new ATOM 951 N ILE A 64 -4.922 10.336 -11.762 1.00 0.00 N ATOM 952 CA ILE A 64 -4.503 10.793 -13.076 1.00 0.00 C ATOM 953 C ILE A 64 -5.563 10.403 -14.109 1.00 0.00 C ATOM 954 O ILE A 64 -5.364 10.589 -15.308 1.00 0.00 O ATOM 955 CB ILE A 64 -3.103 10.269 -13.404 1.00 0.00 C ATOM 956 CG1 ILE A 64 -3.160 8.820 -13.892 1.00 0.00 C ATOM 957 CG2 ILE A 64 -2.161 10.436 -12.210 1.00 0.00 C ATOM 958 CD1 ILE A 64 -1.791 8.357 -14.395 1.00 0.00 C ATOM 0 H ILE A 64 -4.536 9.434 -11.481 1.00 0.00 H new ATOM 0 HA ILE A 64 -4.424 11.880 -13.094 1.00 0.00 H new ATOM 0 HB ILE A 64 -2.697 10.867 -14.220 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -3.492 8.172 -13.081 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.895 8.731 -14.692 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.173 10.056 -12.470 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -2.087 11.492 -11.950 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.551 9.879 -11.358 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.859 7.324 -14.736 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.473 8.992 -15.222 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.064 8.425 -13.586 1.00 0.00 H new ATOM 970 N VAL A 65 -6.666 9.869 -13.605 1.00 0.00 N ATOM 971 CA VAL A 65 -7.757 9.452 -14.469 1.00 0.00 C ATOM 972 C VAL A 65 -8.692 10.638 -14.711 1.00 0.00 C ATOM 973 O VAL A 65 -8.952 11.004 -15.856 1.00 0.00 O ATOM 974 CB VAL A 65 -8.471 8.242 -13.862 1.00 0.00 C ATOM 975 CG1 VAL A 65 -9.753 7.919 -14.632 1.00 0.00 C ATOM 976 CG2 VAL A 65 -7.542 7.027 -13.809 1.00 0.00 C ATOM 0 H VAL A 65 -6.827 9.716 -12.610 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.376 9.135 -15.440 1.00 0.00 H new ATOM 0 HB VAL A 65 -8.750 8.495 -12.839 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -10.241 7.055 -14.180 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.425 8.776 -14.595 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -9.507 7.695 -15.670 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -8.074 6.181 -13.374 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -7.219 6.772 -14.818 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.671 7.262 -13.197 1.00 0.00 H new ATOM 986 N THR A 66 -9.172 11.206 -13.614 1.00 0.00 N ATOM 987 CA THR A 66 -10.073 12.343 -13.694 1.00 0.00 C ATOM 988 C THR A 66 -9.347 13.628 -13.291 1.00 0.00 C ATOM 989 O THR A 66 -9.630 14.699 -13.825 1.00 0.00 O ATOM 990 CB THR A 66 -11.296 12.039 -12.826 1.00 0.00 C ATOM 991 OG1 THR A 66 -10.748 11.754 -11.542 1.00 0.00 O ATOM 992 CG2 THR A 66 -11.993 10.738 -13.231 1.00 0.00 C ATOM 0 H THR A 66 -8.954 10.900 -12.666 1.00 0.00 H new ATOM 0 HA THR A 66 -10.414 12.506 -14.716 1.00 0.00 H new ATOM 0 HB THR A 66 -12.003 12.866 -12.893 1.00 0.00 H new ATOM 0 HG1 THR A 66 -11.473 11.547 -10.916 1.00 0.00 H new ATOM 0 HG21 THR A 66 -12.854 10.570 -12.584 1.00 0.00 H new ATOM 0 HG22 THR A 66 -12.326 10.811 -14.266 1.00 0.00 H new ATOM 0 HG23 THR A 66 -11.296 9.906 -13.132 1.00 0.00 H new ATOM 1000 N GLY A 67 -8.424 13.479 -12.351 1.00 0.00 N ATOM 1001 CA GLY A 67 -7.655 14.614 -11.871 1.00 0.00 C ATOM 1002 C GLY A 67 -8.440 15.403 -10.821 1.00 0.00 C ATOM 1003 O GLY A 67 -8.350 16.628 -10.765 1.00 0.00 O ATOM 0 H GLY A 67 -8.192 12.589 -11.910 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -6.715 14.266 -11.442 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -7.402 15.266 -12.707 1.00 0.00 H new ATOM 1007 N LYS A 68 -9.192 14.668 -10.014 1.00 0.00 N ATOM 1008 CA LYS A 68 -9.992 15.284 -8.970 1.00 0.00 C ATOM 1009 C LYS A 68 -9.108 15.559 -7.752 1.00 0.00 C ATOM 1010 O LYS A 68 -8.429 16.583 -7.691 1.00 0.00 O ATOM 1011 CB LYS A 68 -11.219 14.425 -8.658 1.00 0.00 C ATOM 1012 CG LYS A 68 -12.329 14.661 -9.684 1.00 0.00 C ATOM 1013 CD LYS A 68 -13.376 15.637 -9.144 1.00 0.00 C ATOM 1014 CE LYS A 68 -14.784 15.224 -9.578 1.00 0.00 C ATOM 1015 NZ LYS A 68 -15.802 15.878 -8.724 1.00 0.00 N ATOM 0 H LYS A 68 -9.264 13.652 -10.063 1.00 0.00 H new ATOM 0 HA LYS A 68 -10.382 16.245 -9.305 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -10.939 13.372 -8.656 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -11.587 14.659 -7.659 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -11.900 15.055 -10.605 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -12.805 13.713 -9.934 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -13.322 15.669 -8.056 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -13.161 16.643 -9.504 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -14.945 15.498 -10.621 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -14.888 14.141 -9.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -16.752 15.587 -9.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -15.657 15.596 -7.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -15.713 16.911 -8.806 1.00 0.00 H new ATOM 1029 N GLU A 69 -9.143 14.626 -6.812 1.00 0.00 N ATOM 1030 CA GLU A 69 -8.354 14.755 -5.599 1.00 0.00 C ATOM 1031 C GLU A 69 -8.557 13.532 -4.701 1.00 0.00 C ATOM 1032 O GLU A 69 -9.685 13.205 -4.337 1.00 0.00 O ATOM 1033 CB GLU A 69 -8.700 16.045 -4.854 1.00 0.00 C ATOM 1034 CG GLU A 69 -10.003 15.892 -4.067 1.00 0.00 C ATOM 1035 CD GLU A 69 -10.404 17.213 -3.407 1.00 0.00 C ATOM 1036 OE1 GLU A 69 -10.309 18.247 -4.103 1.00 0.00 O ATOM 1037 OE2 GLU A 69 -10.796 17.159 -2.222 1.00 0.00 O ATOM 0 H GLU A 69 -9.706 13.777 -6.866 1.00 0.00 H new ATOM 0 HA GLU A 69 -7.301 14.807 -5.878 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -7.889 16.305 -4.174 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.795 16.865 -5.565 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.798 15.559 -4.734 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.883 15.122 -3.305 1.00 0.00 H new ATOM 1044 N ILE A 70 -7.446 12.890 -4.370 1.00 0.00 N ATOM 1045 CA ILE A 70 -7.488 11.711 -3.522 1.00 0.00 C ATOM 1046 C ILE A 70 -6.798 12.020 -2.192 1.00 0.00 C ATOM 1047 O ILE A 70 -5.574 12.034 -2.079 1.00 0.00 O ATOM 1048 CB ILE A 70 -6.899 10.503 -4.254 1.00 0.00 C ATOM 1049 CG1 ILE A 70 -7.560 10.315 -5.621 1.00 0.00 C ATOM 1050 CG2 ILE A 70 -6.993 9.242 -3.393 1.00 0.00 C ATOM 1051 CD1 ILE A 70 -8.785 9.404 -5.517 1.00 0.00 C ATOM 0 H ILE A 70 -6.512 13.164 -4.674 1.00 0.00 H new ATOM 0 HA ILE A 70 -8.519 11.444 -3.292 1.00 0.00 H new ATOM 0 HB ILE A 70 -5.841 10.693 -4.432 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -7.856 11.284 -6.022 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -6.842 9.887 -6.320 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -6.568 8.398 -3.936 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -6.440 9.393 -2.466 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -8.038 9.036 -3.163 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -9.236 9.287 -6.502 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -8.481 8.428 -5.139 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -9.511 9.847 -4.836 1.00 0.00 H new ATOM 1063 N PRO A 71 -7.623 12.272 -1.173 1.00 0.00 N ATOM 1064 CA PRO A 71 -7.188 12.586 0.171 1.00 0.00 C ATOM 1065 C PRO A 71 -6.165 11.556 0.630 1.00 0.00 C ATOM 1066 O PRO A 71 -5.999 10.518 -0.005 1.00 0.00 O ATOM 1067 CB PRO A 71 -8.456 12.514 1.020 1.00 0.00 C ATOM 1068 CG PRO A 71 -9.553 12.891 0.035 1.00 0.00 C ATOM 1069 CD PRO A 71 -9.067 12.265 -1.270 1.00 0.00 C ATOM 0 HA PRO A 71 -6.711 13.563 0.245 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -8.609 11.516 1.432 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -8.416 13.204 1.863 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -10.522 12.494 0.338 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -9.664 13.972 -0.052 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -9.450 11.251 -1.388 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -9.408 12.837 -2.133 1.00 0.00 H new ATOM 1077 N PRO A 72 -5.478 11.848 1.737 1.00 0.00 N ATOM 1078 CA PRO A 72 -4.468 10.991 2.319 1.00 0.00 C ATOM 1079 C PRO A 72 -4.891 9.535 2.180 1.00 0.00 C ATOM 1080 O PRO A 72 -6.053 9.227 2.441 1.00 0.00 O ATOM 1081 CB PRO A 72 -4.403 11.404 3.788 1.00 0.00 C ATOM 1082 CG PRO A 72 -4.863 12.821 3.796 1.00 0.00 C ATOM 1083 CD PRO A 72 -5.648 13.060 2.508 1.00 0.00 C ATOM 0 HA PRO A 72 -3.498 11.088 1.832 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -5.044 10.775 4.406 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -3.391 11.313 4.182 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -5.489 13.015 4.667 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -4.012 13.499 3.857 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -6.701 13.251 2.717 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -5.268 13.928 1.969 1.00 0.00 H new ATOM 1091 N LEU A 73 -3.961 8.682 1.777 1.00 0.00 N ATOM 1092 CA LEU A 73 -4.261 7.271 1.610 1.00 0.00 C ATOM 1093 C LEU A 73 -3.954 6.531 2.913 1.00 0.00 C ATOM 1094 O LEU A 73 -4.479 5.444 3.153 1.00 0.00 O ATOM 1095 CB LEU A 73 -3.524 6.706 0.394 1.00 0.00 C ATOM 1096 CG LEU A 73 -3.695 5.207 0.143 1.00 0.00 C ATOM 1097 CD1 LEU A 73 -4.995 4.922 -0.612 1.00 0.00 C ATOM 1098 CD2 LEU A 73 -2.475 4.629 -0.578 1.00 0.00 C ATOM 0 H LEU A 73 -2.998 8.942 1.561 1.00 0.00 H new ATOM 0 HA LEU A 73 -5.322 7.129 1.405 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.861 7.243 -0.492 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -2.461 6.916 0.509 1.00 0.00 H new ATOM 0 HG LEU A 73 -3.767 4.705 1.108 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -5.092 3.849 -0.777 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -5.842 5.277 -0.025 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -4.978 5.437 -1.572 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.622 3.562 -0.744 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -2.347 5.131 -1.537 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.585 4.782 0.033 1.00 0.00 H new ATOM 1110 N ALA A 74 -3.105 7.148 3.721 1.00 0.00 N ATOM 1111 CA ALA A 74 -2.722 6.562 4.994 1.00 0.00 C ATOM 1112 C ALA A 74 -3.931 5.853 5.609 1.00 0.00 C ATOM 1113 O ALA A 74 -4.798 6.462 6.230 1.00 0.00 O ATOM 1114 CB ALA A 74 -2.158 7.651 5.909 1.00 0.00 C ATOM 0 H ALA A 74 -2.671 8.049 3.519 1.00 0.00 H new ATOM 0 HA ALA A 74 -1.939 5.817 4.853 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.871 7.211 6.864 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.284 8.103 5.440 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.917 8.415 6.075 1.00 0.00 H new ATOM 1120 N PRO A 75 -3.967 4.532 5.417 1.00 0.00 N ATOM 1121 CA PRO A 75 -5.015 3.665 5.911 1.00 0.00 C ATOM 1122 C PRO A 75 -5.058 3.730 7.431 1.00 0.00 C ATOM 1123 O PRO A 75 -6.018 3.235 8.020 1.00 0.00 O ATOM 1124 CB PRO A 75 -4.625 2.268 5.434 1.00 0.00 C ATOM 1125 CG PRO A 75 -3.648 2.472 4.313 1.00 0.00 C ATOM 1126 CD PRO A 75 -2.964 3.784 4.691 1.00 0.00 C ATOM 0 HA PRO A 75 -6.004 3.949 5.552 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -4.176 1.691 6.242 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -5.500 1.714 5.094 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -2.935 1.650 4.244 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -4.149 2.541 3.348 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -2.082 3.607 5.306 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -2.632 4.326 3.805 1.00 0.00 H new ATOM 1134 N ARG A 76 -4.037 4.327 8.029 1.00 0.00 N ATOM 1135 CA ARG A 76 -3.980 4.441 9.476 1.00 0.00 C ATOM 1136 C ARG A 76 -4.397 5.846 9.914 1.00 0.00 C ATOM 1137 O ARG A 76 -5.214 6.001 10.821 1.00 0.00 O ATOM 1138 CB ARG A 76 -2.571 4.148 9.996 1.00 0.00 C ATOM 1139 CG ARG A 76 -2.487 4.372 11.508 1.00 0.00 C ATOM 1140 CD ARG A 76 -1.296 3.622 12.108 1.00 0.00 C ATOM 1141 NE ARG A 76 -1.774 2.488 12.930 1.00 0.00 N ATOM 1142 CZ ARG A 76 -0.978 1.722 13.688 1.00 0.00 C ATOM 1143 NH1 ARG A 76 0.339 1.962 13.732 1.00 0.00 N ATOM 1144 NH2 ARG A 76 -1.500 0.714 14.402 1.00 0.00 N ATOM 0 H ARG A 76 -3.243 4.737 7.537 1.00 0.00 H new ATOM 0 HA ARG A 76 -4.669 3.707 9.895 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -2.300 3.119 9.762 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -1.851 4.791 9.489 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.393 5.438 11.717 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -3.409 4.035 11.981 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -0.647 3.257 11.312 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -0.700 4.299 12.720 1.00 0.00 H new ATOM 0 HE ARG A 76 -2.772 2.276 12.919 1.00 0.00 H new ATOM 0 HH11 ARG A 76 0.736 2.728 13.188 1.00 0.00 H new ATOM 0 HH12 ARG A 76 0.945 1.379 14.309 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -2.503 0.531 14.368 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -0.894 0.131 14.979 1.00 0.00 H new ATOM 1158 N VAL A 77 -3.816 6.835 9.251 1.00 0.00 N ATOM 1159 CA VAL A 77 -4.117 8.222 9.561 1.00 0.00 C ATOM 1160 C VAL A 77 -5.634 8.411 9.611 1.00 0.00 C ATOM 1161 O VAL A 77 -6.149 9.091 10.498 1.00 0.00 O ATOM 1162 CB VAL A 77 -3.433 9.145 8.549 1.00 0.00 C ATOM 1163 CG1 VAL A 77 -4.005 10.562 8.625 1.00 0.00 C ATOM 1164 CG2 VAL A 77 -1.917 9.154 8.754 1.00 0.00 C ATOM 0 H VAL A 77 -3.138 6.703 8.500 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.723 8.488 10.542 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.634 8.756 7.551 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -3.502 11.197 7.896 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.073 10.536 8.407 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -3.849 10.964 9.626 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.455 9.817 8.023 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.688 9.507 9.760 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.527 8.144 8.626 1.00 0.00 H new ATOM 1174 N ASN A 78 -6.307 7.799 8.649 1.00 0.00 N ATOM 1175 CA ASN A 78 -7.755 7.891 8.573 1.00 0.00 C ATOM 1176 C ASN A 78 -8.370 6.551 8.983 1.00 0.00 C ATOM 1177 O ASN A 78 -8.170 5.541 8.311 1.00 0.00 O ATOM 1178 CB ASN A 78 -8.213 8.204 7.147 1.00 0.00 C ATOM 1179 CG ASN A 78 -7.258 9.188 6.468 1.00 0.00 C ATOM 1180 OD1 ASN A 78 -6.304 9.672 7.055 1.00 0.00 O ATOM 1181 ND2 ASN A 78 -7.567 9.455 5.202 1.00 0.00 N ATOM 0 H ASN A 78 -5.876 7.237 7.915 1.00 0.00 H new ATOM 0 HA ASN A 78 -8.077 8.691 9.240 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -8.264 7.282 6.567 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -9.219 8.624 7.168 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -6.991 10.100 4.661 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -8.380 9.015 4.772 1.00 0.00 H new ATOM 1188 N THR A 79 -9.106 6.586 10.085 1.00 0.00 N ATOM 1189 CA THR A 79 -9.750 5.387 10.592 1.00 0.00 C ATOM 1190 C THR A 79 -10.795 4.881 9.596 1.00 0.00 C ATOM 1191 O THR A 79 -11.313 3.775 9.742 1.00 0.00 O ATOM 1192 CB THR A 79 -10.331 5.710 11.970 1.00 0.00 C ATOM 1193 OG1 THR A 79 -9.556 6.817 12.423 1.00 0.00 O ATOM 1194 CG2 THR A 79 -10.047 4.612 12.997 1.00 0.00 C ATOM 0 H THR A 79 -9.270 7.426 10.640 1.00 0.00 H new ATOM 0 HA THR A 79 -9.035 4.572 10.707 1.00 0.00 H new ATOM 0 HB THR A 79 -11.408 5.858 11.884 1.00 0.00 H new ATOM 0 HG1 THR A 79 -9.867 7.093 13.310 1.00 0.00 H new ATOM 0 HG21 THR A 79 -10.481 4.891 13.957 1.00 0.00 H new ATOM 0 HG22 THR A 79 -10.488 3.674 12.658 1.00 0.00 H new ATOM 0 HG23 THR A 79 -8.970 4.487 13.108 1.00 0.00 H new ATOM 1202 N LYS A 80 -11.075 5.715 8.605 1.00 0.00 N ATOM 1203 CA LYS A 80 -12.049 5.366 7.585 1.00 0.00 C ATOM 1204 C LYS A 80 -11.316 4.905 6.324 1.00 0.00 C ATOM 1205 O LYS A 80 -11.762 5.175 5.209 1.00 0.00 O ATOM 1206 CB LYS A 80 -13.014 6.529 7.345 1.00 0.00 C ATOM 1207 CG LYS A 80 -13.924 6.745 8.556 1.00 0.00 C ATOM 1208 CD LYS A 80 -14.155 8.236 8.810 1.00 0.00 C ATOM 1209 CE LYS A 80 -15.627 8.603 8.616 1.00 0.00 C ATOM 1210 NZ LYS A 80 -15.797 10.073 8.603 1.00 0.00 N ATOM 0 H LYS A 80 -10.644 6.632 8.487 1.00 0.00 H new ATOM 0 HA LYS A 80 -12.668 4.533 7.918 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -12.449 7.439 7.143 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -13.620 6.327 6.462 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -14.880 6.248 8.390 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -13.476 6.287 9.438 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -13.844 8.488 9.824 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -13.537 8.824 8.131 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -15.993 8.180 7.680 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -16.225 8.169 9.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -16.802 10.305 8.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -15.467 10.469 9.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -15.242 10.480 7.823 1.00 0.00 H new ATOM 1224 N ARG A 81 -10.205 4.218 6.541 1.00 0.00 N ATOM 1225 CA ARG A 81 -9.406 3.716 5.436 1.00 0.00 C ATOM 1226 C ARG A 81 -8.745 2.390 5.817 1.00 0.00 C ATOM 1227 O ARG A 81 -7.571 2.171 5.524 1.00 0.00 O ATOM 1228 CB ARG A 81 -8.323 4.722 5.038 1.00 0.00 C ATOM 1229 CG ARG A 81 -8.933 5.931 4.325 1.00 0.00 C ATOM 1230 CD ARG A 81 -9.178 5.629 2.845 1.00 0.00 C ATOM 1231 NE ARG A 81 -8.564 6.681 2.006 1.00 0.00 N ATOM 1232 CZ ARG A 81 -8.790 6.821 0.692 1.00 0.00 C ATOM 1233 NH1 ARG A 81 -9.617 5.977 0.061 1.00 0.00 N ATOM 1234 NH2 ARG A 81 -8.189 7.806 0.010 1.00 0.00 N ATOM 0 H ARG A 81 -9.838 3.997 7.467 1.00 0.00 H new ATOM 0 HA ARG A 81 -10.073 3.562 4.588 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -7.785 5.053 5.926 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -7.595 4.239 4.385 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -9.873 6.204 4.804 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -8.266 6.788 4.419 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -8.757 4.657 2.589 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -10.249 5.575 2.649 1.00 0.00 H new ATOM 0 HE ARG A 81 -7.929 7.341 2.455 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -10.075 5.228 0.580 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -9.789 6.084 -0.939 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -7.560 8.449 0.491 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -8.361 7.913 -0.990 1.00 0.00 H new ATOM 1248 N PHE A 82 -9.529 1.539 6.463 1.00 0.00 N ATOM 1249 CA PHE A 82 -9.035 0.241 6.887 1.00 0.00 C ATOM 1250 C PHE A 82 -9.936 -0.364 7.965 1.00 0.00 C ATOM 1251 O PHE A 82 -9.450 -0.969 8.919 1.00 0.00 O ATOM 1252 CB PHE A 82 -7.639 0.463 7.472 1.00 0.00 C ATOM 1253 CG PHE A 82 -6.503 -0.048 6.583 1.00 0.00 C ATOM 1254 CD1 PHE A 82 -6.703 -0.204 5.247 1.00 0.00 C ATOM 1255 CD2 PHE A 82 -5.293 -0.345 7.129 1.00 0.00 C ATOM 1256 CE1 PHE A 82 -5.648 -0.677 4.422 1.00 0.00 C ATOM 1257 CE2 PHE A 82 -4.239 -0.819 6.304 1.00 0.00 C ATOM 1258 CZ PHE A 82 -4.439 -0.975 4.968 1.00 0.00 C ATOM 0 H PHE A 82 -10.503 1.724 6.703 1.00 0.00 H new ATOM 0 HA PHE A 82 -9.017 -0.445 6.040 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -7.496 1.529 7.650 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -7.579 -0.033 8.441 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -7.664 0.032 4.813 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -5.134 -0.220 8.190 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -5.806 -0.800 3.361 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -3.279 -1.056 6.738 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.637 -1.336 4.341 1.00 0.00 H new ATOM 1268 N THR A 83 -11.235 -0.179 7.777 1.00 0.00 N ATOM 1269 CA THR A 83 -12.209 -0.698 8.722 1.00 0.00 C ATOM 1270 C THR A 83 -13.024 -1.825 8.082 1.00 0.00 C ATOM 1271 O THR A 83 -14.252 -1.817 8.139 1.00 0.00 O ATOM 1272 CB THR A 83 -13.067 0.471 9.208 1.00 0.00 C ATOM 1273 OG1 THR A 83 -12.146 1.317 9.891 1.00 0.00 O ATOM 1274 CG2 THR A 83 -14.065 0.055 10.290 1.00 0.00 C ATOM 0 H THR A 83 -11.635 0.323 6.984 1.00 0.00 H new ATOM 0 HA THR A 83 -11.721 -1.143 9.589 1.00 0.00 H new ATOM 0 HB THR A 83 -13.606 0.901 8.364 1.00 0.00 H new ATOM 0 HG1 THR A 83 -12.140 2.202 9.469 1.00 0.00 H new ATOM 0 HG21 THR A 83 -14.648 0.922 10.600 1.00 0.00 H new ATOM 0 HG22 THR A 83 -14.733 -0.710 9.894 1.00 0.00 H new ATOM 0 HG23 THR A 83 -13.525 -0.344 11.149 1.00 0.00 H new ATOM 1282 N ASP A 84 -12.306 -2.767 7.489 1.00 0.00 N ATOM 1283 CA ASP A 84 -12.947 -3.898 6.840 1.00 0.00 C ATOM 1284 C ASP A 84 -11.878 -4.782 6.192 1.00 0.00 C ATOM 1285 O ASP A 84 -11.762 -4.826 4.969 1.00 0.00 O ATOM 1286 CB ASP A 84 -13.904 -3.433 5.741 1.00 0.00 C ATOM 1287 CG ASP A 84 -14.704 -4.548 5.065 1.00 0.00 C ATOM 1288 OD1 ASP A 84 -14.331 -5.722 5.276 1.00 0.00 O ATOM 1289 OD2 ASP A 84 -15.670 -4.202 4.352 1.00 0.00 O ATOM 0 H ASP A 84 -11.287 -2.770 7.444 1.00 0.00 H new ATOM 0 HA ASP A 84 -13.506 -4.448 7.597 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -14.602 -2.714 6.169 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -13.330 -2.906 4.979 1.00 0.00 H new ATOM 1294 N ILE A 85 -11.124 -5.463 7.043 1.00 0.00 N ATOM 1295 CA ILE A 85 -10.069 -6.342 6.569 1.00 0.00 C ATOM 1296 C ILE A 85 -10.559 -7.099 5.333 1.00 0.00 C ATOM 1297 O ILE A 85 -9.840 -7.206 4.340 1.00 0.00 O ATOM 1298 CB ILE A 85 -9.585 -7.255 7.697 1.00 0.00 C ATOM 1299 CG1 ILE A 85 -9.004 -6.437 8.853 1.00 0.00 C ATOM 1300 CG2 ILE A 85 -8.591 -8.294 7.174 1.00 0.00 C ATOM 1301 CD1 ILE A 85 -9.191 -7.163 10.186 1.00 0.00 C ATOM 0 H ILE A 85 -11.223 -5.424 8.057 1.00 0.00 H new ATOM 0 HA ILE A 85 -9.198 -5.762 6.264 1.00 0.00 H new ATOM 0 HB ILE A 85 -10.444 -7.800 8.088 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -7.943 -6.257 8.679 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -9.490 -5.462 8.894 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -8.263 -8.930 7.996 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -9.072 -8.906 6.411 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -7.729 -7.787 6.741 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -8.770 -6.561 10.991 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -10.254 -7.320 10.369 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -8.683 -8.127 10.150 1.00 0.00 H new ATOM 1313 N ASP A 86 -11.779 -7.606 5.433 1.00 0.00 N ATOM 1314 CA ASP A 86 -12.373 -8.350 4.336 1.00 0.00 C ATOM 1315 C ASP A 86 -12.222 -7.549 3.041 1.00 0.00 C ATOM 1316 O ASP A 86 -11.695 -8.056 2.052 1.00 0.00 O ATOM 1317 CB ASP A 86 -13.866 -8.585 4.575 1.00 0.00 C ATOM 1318 CG ASP A 86 -14.243 -8.945 6.013 1.00 0.00 C ATOM 1319 OD1 ASP A 86 -14.351 -8.000 6.825 1.00 0.00 O ATOM 1320 OD2 ASP A 86 -14.413 -10.156 6.269 1.00 0.00 O ATOM 0 H ASP A 86 -12.372 -7.516 6.258 1.00 0.00 H new ATOM 0 HA ASP A 86 -11.863 -9.311 4.265 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -14.410 -7.686 4.287 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -14.202 -9.386 3.916 1.00 0.00 H new ATOM 1325 N LYS A 87 -12.693 -6.311 3.090 1.00 0.00 N ATOM 1326 CA LYS A 87 -12.616 -5.435 1.933 1.00 0.00 C ATOM 1327 C LYS A 87 -11.335 -4.602 2.014 1.00 0.00 C ATOM 1328 O LYS A 87 -11.365 -3.452 2.448 1.00 0.00 O ATOM 1329 CB LYS A 87 -13.889 -4.596 1.812 1.00 0.00 C ATOM 1330 CG LYS A 87 -15.064 -5.449 1.329 1.00 0.00 C ATOM 1331 CD LYS A 87 -16.384 -4.684 1.451 1.00 0.00 C ATOM 1332 CE LYS A 87 -17.529 -5.624 1.831 1.00 0.00 C ATOM 1333 NZ LYS A 87 -18.146 -5.199 3.107 1.00 0.00 N ATOM 0 H LYS A 87 -13.129 -5.894 3.912 1.00 0.00 H new ATOM 0 HA LYS A 87 -12.559 -6.020 1.015 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -14.130 -4.153 2.778 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -13.722 -3.773 1.117 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -14.903 -5.741 0.291 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -15.116 -6.367 1.914 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -16.287 -3.901 2.203 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -16.612 -4.191 0.506 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -18.280 -5.630 1.041 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -17.155 -6.644 1.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -18.596 -6.017 3.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -17.413 -4.811 3.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -18.863 -4.469 2.920 1.00 0.00 H new ATOM 1347 N VAL A 88 -10.241 -5.215 1.589 1.00 0.00 N ATOM 1348 CA VAL A 88 -8.952 -4.544 1.607 1.00 0.00 C ATOM 1349 C VAL A 88 -7.875 -5.503 1.093 1.00 0.00 C ATOM 1350 O VAL A 88 -6.939 -5.084 0.414 1.00 0.00 O ATOM 1351 CB VAL A 88 -8.659 -4.013 3.012 1.00 0.00 C ATOM 1352 CG1 VAL A 88 -7.442 -4.714 3.620 1.00 0.00 C ATOM 1353 CG2 VAL A 88 -8.465 -2.496 2.995 1.00 0.00 C ATOM 0 H VAL A 88 -10.220 -6.169 1.230 1.00 0.00 H new ATOM 0 HA VAL A 88 -8.961 -3.680 0.943 1.00 0.00 H new ATOM 0 HB VAL A 88 -9.522 -4.234 3.640 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -7.255 -4.318 4.618 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -7.633 -5.785 3.684 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -6.569 -4.539 2.991 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -8.258 -2.144 4.006 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -7.628 -2.244 2.344 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -9.371 -2.018 2.623 1.00 0.00 H new ATOM 1363 N GLU A 89 -8.045 -6.771 1.437 1.00 0.00 N ATOM 1364 CA GLU A 89 -7.099 -7.792 1.020 1.00 0.00 C ATOM 1365 C GLU A 89 -7.327 -8.158 -0.448 1.00 0.00 C ATOM 1366 O GLU A 89 -6.374 -8.399 -1.187 1.00 0.00 O ATOM 1367 CB GLU A 89 -7.197 -9.029 1.914 1.00 0.00 C ATOM 1368 CG GLU A 89 -6.255 -10.133 1.429 1.00 0.00 C ATOM 1369 CD GLU A 89 -7.034 -11.402 1.076 1.00 0.00 C ATOM 1370 OE1 GLU A 89 -7.223 -12.226 1.997 1.00 0.00 O ATOM 1371 OE2 GLU A 89 -7.422 -11.519 -0.106 1.00 0.00 O ATOM 0 H GLU A 89 -8.823 -7.115 2.000 1.00 0.00 H new ATOM 0 HA GLU A 89 -6.091 -7.389 1.123 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -6.950 -8.760 2.941 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -8.223 -9.398 1.919 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -5.702 -9.787 0.556 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -5.521 -10.356 2.203 1.00 0.00 H new ATOM 1378 N ASP A 90 -8.596 -8.187 -0.827 1.00 0.00 N ATOM 1379 CA ASP A 90 -8.962 -8.519 -2.194 1.00 0.00 C ATOM 1380 C ASP A 90 -8.663 -7.325 -3.102 1.00 0.00 C ATOM 1381 O ASP A 90 -8.092 -7.488 -4.180 1.00 0.00 O ATOM 1382 CB ASP A 90 -10.455 -8.834 -2.304 1.00 0.00 C ATOM 1383 CG ASP A 90 -11.388 -7.707 -1.857 1.00 0.00 C ATOM 1384 OD1 ASP A 90 -11.376 -7.408 -0.644 1.00 0.00 O ATOM 1385 OD2 ASP A 90 -12.093 -7.171 -2.739 1.00 0.00 O ATOM 0 H ASP A 90 -9.384 -7.986 -0.211 1.00 0.00 H new ATOM 0 HA ASP A 90 -8.386 -9.394 -2.494 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -10.683 -9.085 -3.340 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -10.669 -9.721 -1.707 1.00 0.00 H new ATOM 1390 N GLU A 91 -9.061 -6.152 -2.634 1.00 0.00 N ATOM 1391 CA GLU A 91 -8.843 -4.931 -3.390 1.00 0.00 C ATOM 1392 C GLU A 91 -7.353 -4.747 -3.683 1.00 0.00 C ATOM 1393 O GLU A 91 -6.982 -4.243 -4.742 1.00 0.00 O ATOM 1394 CB GLU A 91 -9.410 -3.718 -2.649 1.00 0.00 C ATOM 1395 CG GLU A 91 -10.933 -3.659 -2.779 1.00 0.00 C ATOM 1396 CD GLU A 91 -11.351 -2.724 -3.916 1.00 0.00 C ATOM 1397 OE1 GLU A 91 -10.732 -2.834 -4.997 1.00 0.00 O ATOM 1398 OE2 GLU A 91 -12.279 -1.922 -3.679 1.00 0.00 O ATOM 0 H GLU A 91 -9.534 -6.021 -1.740 1.00 0.00 H new ATOM 0 HA GLU A 91 -9.372 -5.015 -4.339 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -9.133 -3.769 -1.596 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -8.971 -2.804 -3.050 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -11.325 -4.659 -2.963 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -11.368 -3.314 -1.841 1.00 0.00 H new ATOM 1405 N PHE A 92 -6.538 -5.165 -2.726 1.00 0.00 N ATOM 1406 CA PHE A 92 -5.096 -5.053 -2.868 1.00 0.00 C ATOM 1407 C PHE A 92 -4.583 -5.962 -3.986 1.00 0.00 C ATOM 1408 O PHE A 92 -3.514 -5.722 -4.544 1.00 0.00 O ATOM 1409 CB PHE A 92 -4.480 -5.500 -1.541 1.00 0.00 C ATOM 1410 CG PHE A 92 -3.655 -4.418 -0.841 1.00 0.00 C ATOM 1411 CD1 PHE A 92 -2.706 -3.733 -1.533 1.00 0.00 C ATOM 1412 CD2 PHE A 92 -3.872 -4.140 0.473 1.00 0.00 C ATOM 1413 CE1 PHE A 92 -1.940 -2.728 -0.884 1.00 0.00 C ATOM 1414 CE2 PHE A 92 -3.107 -3.136 1.122 1.00 0.00 C ATOM 1415 CZ PHE A 92 -2.157 -2.451 0.430 1.00 0.00 C ATOM 0 H PHE A 92 -6.849 -5.582 -1.849 1.00 0.00 H new ATOM 0 HA PHE A 92 -4.825 -4.027 -3.117 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -5.278 -5.823 -0.873 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -3.845 -6.367 -1.721 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -2.535 -3.953 -2.576 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.627 -4.683 1.022 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -1.186 -2.184 -1.433 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.279 -2.916 2.165 1.00 0.00 H new ATOM 0 HZ PHE A 92 -1.575 -1.687 0.924 1.00 0.00 H new ATOM 1425 N THR A 93 -5.370 -6.986 -4.281 1.00 0.00 N ATOM 1426 CA THR A 93 -5.009 -7.932 -5.323 1.00 0.00 C ATOM 1427 C THR A 93 -5.562 -7.473 -6.674 1.00 0.00 C ATOM 1428 O THR A 93 -4.904 -7.625 -7.702 1.00 0.00 O ATOM 1429 CB THR A 93 -5.508 -9.315 -4.900 1.00 0.00 C ATOM 1430 OG1 THR A 93 -4.435 -9.850 -4.130 1.00 0.00 O ATOM 1431 CG2 THR A 93 -5.635 -10.278 -6.082 1.00 0.00 C ATOM 0 H THR A 93 -6.257 -7.181 -3.816 1.00 0.00 H new ATOM 0 HA THR A 93 -3.928 -7.986 -5.451 1.00 0.00 H new ATOM 0 HB THR A 93 -6.475 -9.217 -4.406 1.00 0.00 H new ATOM 0 HG1 THR A 93 -3.581 -9.561 -4.514 1.00 0.00 H new ATOM 0 HG21 THR A 93 -5.993 -11.245 -5.727 1.00 0.00 H new ATOM 0 HG22 THR A 93 -6.342 -9.873 -6.807 1.00 0.00 H new ATOM 0 HG23 THR A 93 -4.661 -10.403 -6.556 1.00 0.00 H new ATOM 1439 N LYS A 94 -6.766 -6.922 -6.628 1.00 0.00 N ATOM 1440 CA LYS A 94 -7.416 -6.441 -7.836 1.00 0.00 C ATOM 1441 C LYS A 94 -6.703 -5.178 -8.325 1.00 0.00 C ATOM 1442 O LYS A 94 -6.661 -4.901 -9.521 1.00 0.00 O ATOM 1443 CB LYS A 94 -8.914 -6.247 -7.598 1.00 0.00 C ATOM 1444 CG LYS A 94 -9.542 -7.509 -7.003 1.00 0.00 C ATOM 1445 CD LYS A 94 -10.456 -8.199 -8.018 1.00 0.00 C ATOM 1446 CE LYS A 94 -11.925 -8.065 -7.613 1.00 0.00 C ATOM 1447 NZ LYS A 94 -12.711 -9.209 -8.127 1.00 0.00 N ATOM 0 H LYS A 94 -7.309 -6.798 -5.773 1.00 0.00 H new ATOM 0 HA LYS A 94 -7.337 -7.182 -8.632 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -9.073 -5.405 -6.924 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -9.406 -6.000 -8.539 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -8.757 -8.197 -6.689 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -10.113 -7.249 -6.112 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -10.306 -7.761 -9.005 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -10.191 -9.254 -8.094 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -12.006 -8.019 -6.527 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -12.332 -7.132 -8.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -13.706 -9.102 -7.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -12.648 -9.235 -9.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -12.332 -10.095 -7.735 1.00 0.00 H new ATOM 1461 N HIS A 95 -6.152 -4.435 -7.364 1.00 0.00 N ATOM 1462 CA HIS A 95 -5.431 -3.197 -7.637 1.00 0.00 C ATOM 1463 C HIS A 95 -4.120 -3.511 -8.381 1.00 0.00 C ATOM 1464 O HIS A 95 -3.887 -3.056 -9.499 1.00 0.00 O ATOM 1465 CB HIS A 95 -5.241 -2.431 -6.319 1.00 0.00 C ATOM 1466 CG HIS A 95 -4.849 -0.976 -6.429 1.00 0.00 C ATOM 1467 ND1 HIS A 95 -4.879 -0.308 -7.586 1.00 0.00 N ATOM 1468 CD2 HIS A 95 -4.414 -0.080 -5.482 1.00 0.00 C ATOM 1469 CE1 HIS A 95 -4.479 0.955 -7.369 1.00 0.00 C ATOM 1470 NE2 HIS A 95 -4.180 1.149 -6.085 1.00 0.00 N ATOM 0 H HIS A 95 -6.195 -4.677 -6.374 1.00 0.00 H new ATOM 0 HA HIS A 95 -5.998 -2.543 -8.300 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -6.171 -2.491 -5.754 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -4.479 -2.945 -5.734 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -4.276 -0.298 -4.433 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -4.409 1.714 -8.134 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -3.852 2.008 -5.644 1.00 0.00 H new ATOM 1478 N CYS A 96 -3.268 -4.304 -7.728 1.00 0.00 N ATOM 1479 CA CYS A 96 -1.992 -4.695 -8.294 1.00 0.00 C ATOM 1480 C CYS A 96 -2.214 -5.342 -9.653 1.00 0.00 C ATOM 1481 O CYS A 96 -1.281 -5.371 -10.454 1.00 0.00 O ATOM 1482 CB CYS A 96 -1.288 -5.658 -7.343 1.00 0.00 C ATOM 1483 SG CYS A 96 -0.423 -4.695 -6.077 1.00 0.00 S ATOM 0 H CYS A 96 -3.448 -4.686 -6.800 1.00 0.00 H new ATOM 0 HA CYS A 96 -1.361 -3.816 -8.429 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -2.012 -6.328 -6.879 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -0.582 -6.282 -7.891 1.00 0.00 H new ATOM 1488 N ASN A 97 -3.420 -5.841 -9.887 1.00 0.00 N ATOM 1489 CA ASN A 97 -3.732 -6.480 -11.154 1.00 0.00 C ATOM 1490 C ASN A 97 -4.160 -5.415 -12.165 1.00 0.00 C ATOM 1491 O ASN A 97 -4.270 -5.694 -13.358 1.00 0.00 O ATOM 1492 CB ASN A 97 -4.884 -7.475 -11.000 1.00 0.00 C ATOM 1493 CG ASN A 97 -4.382 -8.916 -11.111 1.00 0.00 C ATOM 1494 OD1 ASN A 97 -3.862 -9.343 -12.129 1.00 0.00 O ATOM 1495 ND2 ASN A 97 -4.567 -9.639 -10.010 1.00 0.00 N ATOM 0 H ASN A 97 -4.192 -5.815 -9.221 1.00 0.00 H new ATOM 0 HA ASN A 97 -2.841 -7.009 -11.493 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -5.369 -7.328 -10.035 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -5.636 -7.288 -11.767 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -4.267 -10.613 -9.983 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -5.009 -9.219 -9.192 1.00 0.00 H new ATOM 1502 N ASP A 98 -4.390 -4.215 -11.652 1.00 0.00 N ATOM 1503 CA ASP A 98 -4.804 -3.106 -12.495 1.00 0.00 C ATOM 1504 C ASP A 98 -3.760 -1.991 -12.411 1.00 0.00 C ATOM 1505 O ASP A 98 -3.988 -0.885 -12.901 1.00 0.00 O ATOM 1506 CB ASP A 98 -6.146 -2.535 -12.035 1.00 0.00 C ATOM 1507 CG ASP A 98 -7.092 -2.116 -13.162 1.00 0.00 C ATOM 1508 OD1 ASP A 98 -7.010 -2.751 -14.236 1.00 0.00 O ATOM 1509 OD2 ASP A 98 -7.875 -1.172 -12.925 1.00 0.00 O ATOM 0 H ASP A 98 -4.297 -3.986 -10.662 1.00 0.00 H new ATOM 0 HA ASP A 98 -4.902 -3.476 -13.516 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -6.648 -3.280 -11.418 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -5.957 -1.670 -11.400 1.00 0.00 H new ATOM 1514 N ILE A 99 -2.638 -2.319 -11.788 1.00 0.00 N ATOM 1515 CA ILE A 99 -1.559 -1.358 -11.633 1.00 0.00 C ATOM 1516 C ILE A 99 -0.261 -1.965 -12.170 1.00 0.00 C ATOM 1517 O ILE A 99 0.470 -1.315 -12.916 1.00 0.00 O ATOM 1518 CB ILE A 99 -1.464 -0.888 -10.180 1.00 0.00 C ATOM 1519 CG1 ILE A 99 -2.768 -0.225 -9.732 1.00 0.00 C ATOM 1520 CG2 ILE A 99 -0.256 0.029 -9.979 1.00 0.00 C ATOM 1521 CD1 ILE A 99 -3.104 0.978 -10.616 1.00 0.00 C ATOM 0 H ILE A 99 -2.452 -3.237 -11.384 1.00 0.00 H new ATOM 0 HA ILE A 99 -1.759 -0.462 -12.220 1.00 0.00 H new ATOM 0 HB ILE A 99 -1.314 -1.762 -9.547 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -3.581 -0.950 -9.773 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -2.679 0.096 -8.694 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -0.211 0.349 -8.938 1.00 0.00 H new ATOM 0 HG22 ILE A 99 0.657 -0.511 -10.232 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -0.351 0.903 -10.623 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -4.035 1.431 -10.276 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -2.300 1.711 -10.553 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -3.216 0.650 -11.649 1.00 0.00 H new ATOM 1533 N LEU A 100 -0.014 -3.203 -11.769 1.00 0.00 N ATOM 1534 CA LEU A 100 1.183 -3.905 -12.200 1.00 0.00 C ATOM 1535 C LEU A 100 0.818 -4.891 -13.312 1.00 0.00 C ATOM 1536 O LEU A 100 1.622 -5.147 -14.207 1.00 0.00 O ATOM 1537 CB LEU A 100 1.882 -4.556 -11.005 1.00 0.00 C ATOM 1538 CG LEU A 100 2.571 -3.601 -10.028 1.00 0.00 C ATOM 1539 CD1 LEU A 100 3.188 -4.366 -8.856 1.00 0.00 C ATOM 1540 CD2 LEU A 100 3.600 -2.728 -10.749 1.00 0.00 C ATOM 0 H LEU A 100 -0.623 -3.738 -11.150 1.00 0.00 H new ATOM 0 HA LEU A 100 1.906 -3.205 -12.619 1.00 0.00 H new ATOM 0 HB2 LEU A 100 1.146 -5.140 -10.453 1.00 0.00 H new ATOM 0 HB3 LEU A 100 2.626 -5.257 -11.383 1.00 0.00 H new ATOM 0 HG LEU A 100 1.816 -2.933 -9.613 1.00 0.00 H new ATOM 0 HD11 LEU A 100 3.671 -3.663 -8.177 1.00 0.00 H new ATOM 0 HD12 LEU A 100 2.406 -4.907 -8.323 1.00 0.00 H new ATOM 0 HD13 LEU A 100 3.927 -5.074 -9.232 1.00 0.00 H new ATOM 0 HD21 LEU A 100 4.075 -2.058 -10.032 1.00 0.00 H new ATOM 0 HD22 LEU A 100 4.357 -3.363 -11.209 1.00 0.00 H new ATOM 0 HD23 LEU A 100 3.102 -2.140 -11.520 1.00 0.00 H new ATOM 1552 N GLY A 101 -0.394 -5.417 -13.218 1.00 0.00 N ATOM 1553 CA GLY A 101 -0.875 -6.370 -14.205 1.00 0.00 C ATOM 1554 C GLY A 101 -0.932 -7.782 -13.620 1.00 0.00 C ATOM 1555 O GLY A 101 -1.073 -8.757 -14.357 1.00 0.00 O ATOM 0 H GLY A 101 -1.058 -5.202 -12.474 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -1.866 -6.074 -14.548 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -0.220 -6.359 -15.076 1.00 0.00 H new ATOM 1559 N ALA A 102 -0.820 -7.848 -12.302 1.00 0.00 N ATOM 1560 CA ALA A 102 -0.857 -9.126 -11.610 1.00 0.00 C ATOM 1561 C ALA A 102 -1.056 -8.884 -10.113 1.00 0.00 C ATOM 1562 O ALA A 102 -1.282 -7.753 -9.687 1.00 0.00 O ATOM 1563 CB ALA A 102 0.424 -9.906 -11.910 1.00 0.00 C ATOM 0 H ALA A 102 -0.704 -7.037 -11.694 1.00 0.00 H new ATOM 0 HA ALA A 102 -1.695 -9.729 -11.961 1.00 0.00 H new ATOM 0 HB1 ALA A 102 0.396 -10.864 -11.391 1.00 0.00 H new ATOM 0 HB2 ALA A 102 0.503 -10.077 -12.984 1.00 0.00 H new ATOM 0 HB3 ALA A 102 1.287 -9.334 -11.569 1.00 0.00 H new ATOM 1569 N ASP A 103 -0.965 -9.967 -9.354 1.00 0.00 N ATOM 1570 CA ASP A 103 -1.132 -9.887 -7.913 1.00 0.00 C ATOM 1571 C ASP A 103 0.234 -9.676 -7.256 1.00 0.00 C ATOM 1572 O ASP A 103 1.177 -10.439 -7.453 1.00 0.00 O ATOM 1573 CB ASP A 103 -1.729 -11.180 -7.355 1.00 0.00 C ATOM 1574 CG ASP A 103 -2.639 -11.000 -6.139 1.00 0.00 C ATOM 1575 OD1 ASP A 103 -2.416 -10.014 -5.404 1.00 0.00 O ATOM 1576 OD2 ASP A 103 -3.538 -11.853 -5.971 1.00 0.00 O ATOM 0 H ASP A 103 -0.778 -10.904 -9.710 1.00 0.00 H new ATOM 0 HA ASP A 103 -1.804 -9.056 -7.698 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -2.297 -11.671 -8.145 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -0.914 -11.851 -7.084 1.00 0.00 H new ATOM 1581 N CYS A 104 0.319 -8.606 -6.462 1.00 0.00 N ATOM 1582 CA CYS A 104 1.541 -8.263 -5.763 1.00 0.00 C ATOM 1583 C CYS A 104 1.943 -9.409 -4.846 1.00 0.00 C ATOM 1584 O CYS A 104 1.104 -10.262 -4.562 1.00 0.00 O ATOM 1585 CB CYS A 104 1.326 -6.980 -4.965 1.00 0.00 C ATOM 1586 SG CYS A 104 1.400 -5.571 -6.099 1.00 0.00 S ATOM 0 H CYS A 104 -0.455 -7.964 -6.292 1.00 0.00 H new ATOM 0 HA CYS A 104 2.344 -8.097 -6.481 1.00 0.00 H new ATOM 0 HB2 CYS A 104 0.361 -7.007 -4.459 1.00 0.00 H new ATOM 0 HB3 CYS A 104 2.089 -6.883 -4.192 1.00 0.00 H new ATOM 1591 N SER A 105 3.193 -9.411 -4.407 1.00 0.00 N ATOM 1592 CA SER A 105 3.676 -10.462 -3.527 1.00 0.00 C ATOM 1593 C SER A 105 3.118 -10.261 -2.117 1.00 0.00 C ATOM 1594 O SER A 105 2.857 -9.146 -1.672 1.00 0.00 O ATOM 1595 CB SER A 105 5.205 -10.493 -3.494 1.00 0.00 C ATOM 1596 OG SER A 105 5.748 -9.359 -2.824 1.00 0.00 O ATOM 0 H SER A 105 3.886 -8.701 -4.644 1.00 0.00 H new ATOM 0 HA SER A 105 3.329 -11.420 -3.915 1.00 0.00 H new ATOM 0 HB2 SER A 105 5.538 -11.403 -2.995 1.00 0.00 H new ATOM 0 HB3 SER A 105 5.589 -10.530 -4.514 1.00 0.00 H new ATOM 0 HG SER A 105 6.280 -9.656 -2.057 1.00 0.00 H new ATOM 1602 N PRO A 106 2.940 -11.383 -1.416 1.00 0.00 N ATOM 1603 CA PRO A 106 2.426 -11.426 -0.063 1.00 0.00 C ATOM 1604 C PRO A 106 3.417 -10.760 0.881 1.00 0.00 C ATOM 1605 O PRO A 106 3.085 -10.566 2.049 1.00 0.00 O ATOM 1606 CB PRO A 106 2.282 -12.913 0.253 1.00 0.00 C ATOM 1607 CG PRO A 106 3.280 -13.592 -0.663 1.00 0.00 C ATOM 1608 CD PRO A 106 3.237 -12.710 -1.908 1.00 0.00 C ATOM 0 HA PRO A 106 1.478 -10.899 0.049 1.00 0.00 H new ATOM 0 HB2 PRO A 106 2.500 -13.119 1.301 1.00 0.00 H new ATOM 0 HB3 PRO A 106 1.267 -13.263 0.064 1.00 0.00 H new ATOM 0 HG2 PRO A 106 4.277 -13.626 -0.224 1.00 0.00 H new ATOM 0 HG3 PRO A 106 2.994 -14.620 -0.884 1.00 0.00 H new ATOM 0 HD2 PRO A 106 4.189 -12.730 -2.439 1.00 0.00 H new ATOM 0 HD3 PRO A 106 2.474 -13.052 -2.608 1.00 0.00 H new ATOM 1616 N SER A 107 4.594 -10.431 0.370 1.00 0.00 N ATOM 1617 CA SER A 107 5.612 -9.792 1.187 1.00 0.00 C ATOM 1618 C SER A 107 5.507 -8.271 1.060 1.00 0.00 C ATOM 1619 O SER A 107 5.581 -7.555 2.057 1.00 0.00 O ATOM 1620 CB SER A 107 7.013 -10.263 0.790 1.00 0.00 C ATOM 1621 OG SER A 107 7.411 -9.745 -0.476 1.00 0.00 O ATOM 0 H SER A 107 4.866 -10.595 -0.599 1.00 0.00 H new ATOM 0 HA SER A 107 5.444 -10.075 2.226 1.00 0.00 H new ATOM 0 HB2 SER A 107 7.729 -9.952 1.550 1.00 0.00 H new ATOM 0 HB3 SER A 107 7.034 -11.352 0.759 1.00 0.00 H new ATOM 0 HG SER A 107 8.311 -10.067 -0.693 1.00 0.00 H new ATOM 1627 N GLU A 108 5.337 -7.823 -0.175 1.00 0.00 N ATOM 1628 CA GLU A 108 5.221 -6.400 -0.446 1.00 0.00 C ATOM 1629 C GLU A 108 3.942 -5.843 0.182 1.00 0.00 C ATOM 1630 O GLU A 108 3.873 -4.661 0.514 1.00 0.00 O ATOM 1631 CB GLU A 108 5.259 -6.123 -1.950 1.00 0.00 C ATOM 1632 CG GLU A 108 3.879 -6.322 -2.579 1.00 0.00 C ATOM 1633 CD GLU A 108 3.026 -5.060 -2.441 1.00 0.00 C ATOM 1634 OE1 GLU A 108 3.510 -4.118 -1.776 1.00 0.00 O ATOM 1635 OE2 GLU A 108 1.909 -5.065 -3.002 1.00 0.00 O ATOM 0 H GLU A 108 5.277 -8.420 -1.000 1.00 0.00 H new ATOM 0 HA GLU A 108 6.074 -5.893 0.005 1.00 0.00 H new ATOM 0 HB2 GLU A 108 5.600 -5.103 -2.127 1.00 0.00 H new ATOM 0 HB3 GLU A 108 5.979 -6.787 -2.428 1.00 0.00 H new ATOM 0 HG2 GLU A 108 3.989 -6.577 -3.633 1.00 0.00 H new ATOM 0 HG3 GLU A 108 3.374 -7.161 -2.099 1.00 0.00 H new ATOM 1642 N LYS A 109 2.960 -6.721 0.326 1.00 0.00 N ATOM 1643 CA LYS A 109 1.687 -6.332 0.908 1.00 0.00 C ATOM 1644 C LYS A 109 1.905 -5.903 2.361 1.00 0.00 C ATOM 1645 O LYS A 109 1.615 -4.765 2.726 1.00 0.00 O ATOM 1646 CB LYS A 109 0.658 -7.452 0.746 1.00 0.00 C ATOM 1647 CG LYS A 109 -0.751 -6.882 0.573 1.00 0.00 C ATOM 1648 CD LYS A 109 -1.089 -6.695 -0.908 1.00 0.00 C ATOM 1649 CE LYS A 109 -1.311 -8.044 -1.594 1.00 0.00 C ATOM 1650 NZ LYS A 109 -2.554 -8.678 -1.101 1.00 0.00 N ATOM 0 H LYS A 109 3.021 -7.701 0.049 1.00 0.00 H new ATOM 0 HA LYS A 109 1.274 -5.473 0.379 1.00 0.00 H new ATOM 0 HB2 LYS A 109 0.915 -8.064 -0.118 1.00 0.00 H new ATOM 0 HB3 LYS A 109 0.685 -8.105 1.619 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -1.477 -7.552 1.034 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -0.826 -5.926 1.090 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -1.985 -6.082 -1.006 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -0.280 -6.159 -1.405 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -1.370 -7.904 -2.673 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -0.461 -8.700 -1.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -2.323 -9.579 -0.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -3.019 -8.046 -0.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -3.194 -8.855 -1.901 1.00 0.00 H new ATOM 1664 N ALA A 110 2.415 -6.838 3.150 1.00 0.00 N ATOM 1665 CA ALA A 110 2.675 -6.571 4.554 1.00 0.00 C ATOM 1666 C ALA A 110 3.589 -5.350 4.676 1.00 0.00 C ATOM 1667 O ALA A 110 3.439 -4.548 5.596 1.00 0.00 O ATOM 1668 CB ALA A 110 3.276 -7.817 5.208 1.00 0.00 C ATOM 0 H ALA A 110 2.655 -7.781 2.843 1.00 0.00 H new ATOM 0 HA ALA A 110 1.748 -6.342 5.079 1.00 0.00 H new ATOM 0 HB1 ALA A 110 3.471 -7.617 6.262 1.00 0.00 H new ATOM 0 HB2 ALA A 110 2.576 -8.648 5.120 1.00 0.00 H new ATOM 0 HB3 ALA A 110 4.210 -8.075 4.709 1.00 0.00 H new ATOM 1674 N ASN A 111 4.516 -5.248 3.735 1.00 0.00 N ATOM 1675 CA ASN A 111 5.454 -4.139 3.725 1.00 0.00 C ATOM 1676 C ASN A 111 4.678 -2.820 3.690 1.00 0.00 C ATOM 1677 O ASN A 111 4.683 -2.066 4.661 1.00 0.00 O ATOM 1678 CB ASN A 111 6.355 -4.190 2.490 1.00 0.00 C ATOM 1679 CG ASN A 111 7.273 -2.968 2.430 1.00 0.00 C ATOM 1680 OD1 ASN A 111 7.444 -2.337 1.400 1.00 0.00 O ATOM 1681 ND2 ASN A 111 7.853 -2.669 3.589 1.00 0.00 N ATOM 0 H ASN A 111 4.637 -5.916 2.974 1.00 0.00 H new ATOM 0 HA ASN A 111 6.068 -4.210 4.623 1.00 0.00 H new ATOM 0 HB2 ASN A 111 6.955 -5.100 2.511 1.00 0.00 H new ATOM 0 HB3 ASN A 111 5.742 -4.233 1.590 1.00 0.00 H new ATOM 0 HD21 ASN A 111 8.484 -1.870 3.652 1.00 0.00 H new ATOM 0 HD22 ASN A 111 7.667 -3.239 4.414 1.00 0.00 H new ATOM 1688 N PHE A 112 4.029 -2.583 2.559 1.00 0.00 N ATOM 1689 CA PHE A 112 3.250 -1.369 2.384 1.00 0.00 C ATOM 1690 C PHE A 112 2.409 -1.073 3.627 1.00 0.00 C ATOM 1691 O PHE A 112 2.355 0.067 4.087 1.00 0.00 O ATOM 1692 CB PHE A 112 2.316 -1.605 1.195 1.00 0.00 C ATOM 1693 CG PHE A 112 1.584 -0.348 0.720 1.00 0.00 C ATOM 1694 CD1 PHE A 112 2.176 0.483 -0.180 1.00 0.00 C ATOM 1695 CD2 PHE A 112 0.343 -0.062 1.196 1.00 0.00 C ATOM 1696 CE1 PHE A 112 1.497 1.650 -0.621 1.00 0.00 C ATOM 1697 CE2 PHE A 112 -0.336 1.104 0.755 1.00 0.00 C ATOM 1698 CZ PHE A 112 0.256 1.936 -0.145 1.00 0.00 C ATOM 0 H PHE A 112 4.027 -3.211 1.755 1.00 0.00 H new ATOM 0 HA PHE A 112 3.915 -0.521 2.218 1.00 0.00 H new ATOM 0 HB2 PHE A 112 2.896 -2.011 0.366 1.00 0.00 H new ATOM 0 HB3 PHE A 112 1.579 -2.360 1.469 1.00 0.00 H new ATOM 0 HD1 PHE A 112 3.161 0.255 -0.559 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -0.127 -0.722 1.910 1.00 0.00 H new ATOM 0 HE1 PHE A 112 1.967 2.310 -1.335 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -1.322 1.331 1.133 1.00 0.00 H new ATOM 0 HZ PHE A 112 -0.260 2.823 -0.481 1.00 0.00 H new ATOM 1708 N ILE A 113 1.775 -2.119 4.136 1.00 0.00 N ATOM 1709 CA ILE A 113 0.939 -1.985 5.318 1.00 0.00 C ATOM 1710 C ILE A 113 1.763 -1.371 6.452 1.00 0.00 C ATOM 1711 O ILE A 113 1.250 -0.570 7.232 1.00 0.00 O ATOM 1712 CB ILE A 113 0.302 -3.328 5.678 1.00 0.00 C ATOM 1713 CG1 ILE A 113 -0.952 -3.583 4.837 1.00 0.00 C ATOM 1714 CG2 ILE A 113 0.013 -3.413 7.178 1.00 0.00 C ATOM 1715 CD1 ILE A 113 -0.885 -4.950 4.154 1.00 0.00 C ATOM 0 H ILE A 113 1.823 -3.063 3.752 1.00 0.00 H new ATOM 0 HA ILE A 113 0.108 -1.307 5.123 1.00 0.00 H new ATOM 0 HB ILE A 113 1.014 -4.118 5.442 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -1.837 -3.533 5.472 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -1.055 -2.801 4.085 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -0.440 -4.378 7.407 1.00 0.00 H new ATOM 0 HG22 ILE A 113 0.944 -3.308 7.735 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -0.672 -2.614 7.462 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -1.788 -5.106 3.563 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -0.013 -4.988 3.501 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -0.807 -5.731 4.910 1.00 0.00 H new ATOM 1727 N ALA A 114 3.025 -1.770 6.508 1.00 0.00 N ATOM 1728 CA ALA A 114 3.924 -1.270 7.533 1.00 0.00 C ATOM 1729 C ALA A 114 4.142 0.230 7.326 1.00 0.00 C ATOM 1730 O ALA A 114 3.623 1.073 8.054 1.00 0.00 O ATOM 1731 CB ALA A 114 5.233 -2.061 7.496 1.00 0.00 C ATOM 0 H ALA A 114 3.446 -2.435 5.859 1.00 0.00 H new ATOM 0 HA ALA A 114 3.490 -1.406 8.524 1.00 0.00 H new ATOM 0 HB1 ALA A 114 5.907 -1.685 8.266 1.00 0.00 H new ATOM 0 HB2 ALA A 114 5.026 -3.116 7.678 1.00 0.00 H new ATOM 0 HB3 ALA A 114 5.700 -1.947 6.518 1.00 0.00 H new ATOM 1737 N TYR A 115 4.935 0.548 6.300 1.00 0.00 N ATOM 1738 CA TYR A 115 5.243 1.925 5.972 1.00 0.00 C ATOM 1739 C TYR A 115 3.994 2.783 6.119 1.00 0.00 C ATOM 1740 O TYR A 115 4.082 3.869 6.688 1.00 0.00 O ATOM 1741 CB TYR A 115 5.785 1.998 4.547 1.00 0.00 C ATOM 1742 CG TYR A 115 7.176 2.579 4.460 1.00 0.00 C ATOM 1743 CD1 TYR A 115 8.292 1.747 4.608 1.00 0.00 C ATOM 1744 CD2 TYR A 115 7.350 3.949 4.232 1.00 0.00 C ATOM 1745 CE1 TYR A 115 9.582 2.284 4.527 1.00 0.00 C ATOM 1746 CE2 TYR A 115 8.640 4.487 4.151 1.00 0.00 C ATOM 1747 CZ TYR A 115 9.756 3.655 4.298 1.00 0.00 C ATOM 1748 OH TYR A 115 11.013 4.179 4.219 1.00 0.00 O ATOM 0 H TYR A 115 5.372 -0.139 5.685 1.00 0.00 H new ATOM 0 HA TYR A 115 6.002 2.305 6.656 1.00 0.00 H new ATOM 0 HB2 TYR A 115 5.791 0.996 4.117 1.00 0.00 H new ATOM 0 HB3 TYR A 115 5.109 2.601 3.940 1.00 0.00 H new ATOM 0 HD1 TYR A 115 8.158 0.690 4.785 1.00 0.00 H new ATOM 0 HD2 TYR A 115 6.489 4.591 4.119 1.00 0.00 H new ATOM 0 HE1 TYR A 115 10.443 1.642 4.641 1.00 0.00 H new ATOM 0 HE2 TYR A 115 8.774 5.544 3.975 1.00 0.00 H new ATOM 0 HH TYR A 115 10.956 5.144 4.055 1.00 0.00 H new ATOM 1758 N LEU A 116 2.873 2.290 5.612 1.00 0.00 N ATOM 1759 CA LEU A 116 1.625 3.028 5.699 1.00 0.00 C ATOM 1760 C LEU A 116 1.261 3.235 7.171 1.00 0.00 C ATOM 1761 O LEU A 116 0.874 4.333 7.569 1.00 0.00 O ATOM 1762 CB LEU A 116 0.531 2.329 4.889 1.00 0.00 C ATOM 1763 CG LEU A 116 0.399 2.761 3.427 1.00 0.00 C ATOM 1764 CD1 LEU A 116 -0.243 4.146 3.321 1.00 0.00 C ATOM 1765 CD2 LEU A 116 1.751 2.701 2.713 1.00 0.00 C ATOM 0 H LEU A 116 2.804 1.389 5.140 1.00 0.00 H new ATOM 0 HA LEU A 116 1.737 4.017 5.255 1.00 0.00 H new ATOM 0 HB2 LEU A 116 0.718 1.255 4.914 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -0.425 2.498 5.385 1.00 0.00 H new ATOM 0 HG LEU A 116 -0.264 2.058 2.922 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -0.325 4.430 2.272 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -1.236 4.122 3.769 1.00 0.00 H new ATOM 0 HD13 LEU A 116 0.375 4.874 3.846 1.00 0.00 H new ATOM 0 HD21 LEU A 116 1.629 3.013 1.676 1.00 0.00 H new ATOM 0 HD22 LEU A 116 2.456 3.367 3.212 1.00 0.00 H new ATOM 0 HD23 LEU A 116 2.133 1.681 2.742 1.00 0.00 H new ATOM 1777 N LEU A 117 1.398 2.164 7.938 1.00 0.00 N ATOM 1778 CA LEU A 117 1.089 2.215 9.357 1.00 0.00 C ATOM 1779 C LEU A 117 2.357 2.567 10.138 1.00 0.00 C ATOM 1780 O LEU A 117 2.548 2.101 11.260 1.00 0.00 O ATOM 1781 CB LEU A 117 0.430 0.910 9.809 1.00 0.00 C ATOM 1782 CG LEU A 117 1.382 -0.239 10.149 1.00 0.00 C ATOM 1783 CD1 LEU A 117 1.654 -0.299 11.653 1.00 0.00 C ATOM 1784 CD2 LEU A 117 0.850 -1.568 9.609 1.00 0.00 C ATOM 0 H LEU A 117 1.719 1.255 7.604 1.00 0.00 H new ATOM 0 HA LEU A 117 0.361 3.000 9.561 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -0.182 1.120 10.686 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -0.245 0.575 9.022 1.00 0.00 H new ATOM 0 HG LEU A 117 2.336 -0.050 9.657 1.00 0.00 H new ATOM 0 HD11 LEU A 117 2.333 -1.124 11.867 1.00 0.00 H new ATOM 0 HD12 LEU A 117 2.107 0.638 11.979 1.00 0.00 H new ATOM 0 HD13 LEU A 117 0.716 -0.453 12.187 1.00 0.00 H new ATOM 0 HD21 LEU A 117 1.545 -2.368 9.864 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -0.123 -1.777 10.052 1.00 0.00 H new ATOM 0 HD23 LEU A 117 0.749 -1.506 8.525 1.00 0.00 H new ATOM 1796 N THR A 118 3.191 3.385 9.513 1.00 0.00 N ATOM 1797 CA THR A 118 4.435 3.805 10.136 1.00 0.00 C ATOM 1798 C THR A 118 4.660 5.302 9.921 1.00 0.00 C ATOM 1799 O THR A 118 4.616 6.083 10.871 1.00 0.00 O ATOM 1800 CB THR A 118 5.561 2.934 9.576 1.00 0.00 C ATOM 1801 OG1 THR A 118 5.516 1.753 10.372 1.00 0.00 O ATOM 1802 CG2 THR A 118 6.947 3.519 9.855 1.00 0.00 C ATOM 0 H THR A 118 3.030 3.768 8.582 1.00 0.00 H new ATOM 0 HA THR A 118 4.404 3.666 11.217 1.00 0.00 H new ATOM 0 HB THR A 118 5.427 2.815 8.501 1.00 0.00 H new ATOM 0 HG1 THR A 118 4.902 1.107 9.965 1.00 0.00 H new ATOM 0 HG21 THR A 118 7.710 2.862 9.437 1.00 0.00 H new ATOM 0 HG22 THR A 118 7.025 4.505 9.396 1.00 0.00 H new ATOM 0 HG23 THR A 118 7.095 3.607 10.931 1.00 0.00 H new