USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 686 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 55 LYS NZ :NH3+ -119:sc= 0 (180deg=-0.71) USER MOD Set 1.2: A 82 THR OG1 : rot -130:sc= -0.0765 USER MOD Set 2.1: A 43 MET CE :methyl -167:sc= -0.0842 (180deg=-0.385) USER MOD Set 2.2: A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -1.26 K(o=-1.3,f=-2.4!) USER MOD Single : A 11 CYS SG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0267) USER MOD Single : A 18 GLN : amide:sc= -0.0558 X(o=-0.056,f=-0.15) USER MOD Single : A 19 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc=-0.00681 X(o=-0.0068,f=-0.25) USER MOD Single : A 35 SER OG : rot 30:sc= 0.0548 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -2.08! C(o=-2.1!,f=-5.4!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=-0.0076) USER MOD Single : A 64 SER OG : rot 80:sc= -2.53 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= -1.75 X(o=-1.7,f=-1.5) USER MOD Single : A 71 LYS NZ :NH3+ -152:sc= -0.0076 (180deg=-0.863) USER MOD Single : A 74 LYS NZ :NH3+ -118:sc= -1.7! (180deg=-5.2!) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 15:sc= 0.651 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 21:sc= 0.927 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.537 -15.944 -8.650 1.00 0.00 N ATOM 2 CA GLY A 1 -10.417 -15.271 -9.587 1.00 0.00 C ATOM 3 C GLY A 1 -10.092 -13.798 -9.733 1.00 0.00 C ATOM 4 O GLY A 1 -8.949 -13.431 -10.003 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.801 -16.948 -8.586 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.554 -15.864 -8.979 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.625 -15.503 -7.712 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.343 -15.754 -10.561 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.449 -15.381 -9.254 1.00 0.00 H new ATOM 8 N SER A 2 -11.101 -12.951 -9.556 1.00 0.00 N ATOM 9 CA SER A 2 -10.918 -11.509 -9.675 1.00 0.00 C ATOM 10 C SER A 2 -11.654 -10.774 -8.559 1.00 0.00 C ATOM 11 O SER A 2 -12.724 -11.199 -8.121 1.00 0.00 O ATOM 12 CB SER A 2 -11.416 -11.021 -11.037 1.00 0.00 C ATOM 13 OG SER A 2 -10.684 -11.621 -12.092 1.00 0.00 O ATOM 0 H SER A 2 -12.053 -13.238 -9.330 1.00 0.00 H new ATOM 0 HA SER A 2 -9.853 -11.294 -9.587 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.475 -11.255 -11.146 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.322 -9.937 -11.095 1.00 0.00 H new ATOM 0 HG SER A 2 -11.022 -11.294 -12.952 1.00 0.00 H new ATOM 19 N SER A 3 -11.073 -9.669 -8.103 1.00 0.00 N ATOM 20 CA SER A 3 -11.671 -8.876 -7.035 1.00 0.00 C ATOM 21 C SER A 3 -11.564 -7.385 -7.341 1.00 0.00 C ATOM 22 O SER A 3 -10.934 -6.984 -8.319 1.00 0.00 O ATOM 23 CB SER A 3 -10.990 -9.184 -5.700 1.00 0.00 C ATOM 24 OG SER A 3 -11.071 -10.565 -5.394 1.00 0.00 O ATOM 0 H SER A 3 -10.189 -9.303 -8.456 1.00 0.00 H new ATOM 0 HA SER A 3 -12.726 -9.141 -6.966 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.945 -8.878 -5.742 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.460 -8.604 -4.906 1.00 0.00 H new ATOM 0 HG SER A 3 -10.627 -10.737 -4.537 1.00 0.00 H new ATOM 30 N GLY A 4 -12.186 -6.568 -6.496 1.00 0.00 N ATOM 31 CA GLY A 4 -12.150 -5.130 -6.693 1.00 0.00 C ATOM 32 C GLY A 4 -12.500 -4.730 -8.112 1.00 0.00 C ATOM 33 O GLY A 4 -11.623 -4.369 -8.897 1.00 0.00 O ATOM 0 H GLY A 4 -12.714 -6.876 -5.679 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.847 -4.654 -6.003 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.155 -4.758 -6.449 1.00 0.00 H new ATOM 37 N SER A 5 -13.785 -4.796 -8.444 1.00 0.00 N ATOM 38 CA SER A 5 -14.248 -4.442 -9.781 1.00 0.00 C ATOM 39 C SER A 5 -15.218 -3.266 -9.727 1.00 0.00 C ATOM 40 O SER A 5 -14.961 -2.208 -10.301 1.00 0.00 O ATOM 41 CB SER A 5 -14.923 -5.645 -10.444 1.00 0.00 C ATOM 42 OG SER A 5 -13.962 -6.539 -10.978 1.00 0.00 O ATOM 0 H SER A 5 -14.524 -5.091 -7.806 1.00 0.00 H new ATOM 0 HA SER A 5 -13.381 -4.148 -10.373 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.543 -6.166 -9.714 1.00 0.00 H new ATOM 0 HB3 SER A 5 -15.586 -5.302 -11.238 1.00 0.00 H new ATOM 0 HG SER A 5 -14.419 -7.300 -11.394 1.00 0.00 H new ATOM 48 N SER A 6 -16.335 -3.460 -9.032 1.00 0.00 N ATOM 49 CA SER A 6 -17.346 -2.417 -8.905 1.00 0.00 C ATOM 50 C SER A 6 -16.826 -1.255 -8.064 1.00 0.00 C ATOM 51 O SER A 6 -17.002 -1.227 -6.847 1.00 0.00 O ATOM 52 CB SER A 6 -18.619 -2.986 -8.275 1.00 0.00 C ATOM 53 OG SER A 6 -19.179 -4.003 -9.088 1.00 0.00 O ATOM 0 H SER A 6 -16.562 -4.329 -8.549 1.00 0.00 H new ATOM 0 HA SER A 6 -17.577 -2.046 -9.904 1.00 0.00 H new ATOM 0 HB2 SER A 6 -18.392 -3.389 -7.288 1.00 0.00 H new ATOM 0 HB3 SER A 6 -19.347 -2.187 -8.133 1.00 0.00 H new ATOM 0 HG SER A 6 -19.990 -4.352 -8.663 1.00 0.00 H new ATOM 59 N GLY A 7 -16.184 -0.296 -8.725 1.00 0.00 N ATOM 60 CA GLY A 7 -15.647 0.856 -8.024 1.00 0.00 C ATOM 61 C GLY A 7 -14.741 1.698 -8.901 1.00 0.00 C ATOM 62 O GLY A 7 -14.468 1.341 -10.047 1.00 0.00 O ATOM 0 H GLY A 7 -16.026 -0.296 -9.733 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -16.469 1.472 -7.660 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.090 0.518 -7.150 1.00 0.00 H new ATOM 66 N VAL A 8 -14.275 2.820 -8.362 1.00 0.00 N ATOM 67 CA VAL A 8 -13.396 3.716 -9.103 1.00 0.00 C ATOM 68 C VAL A 8 -12.013 3.782 -8.464 1.00 0.00 C ATOM 69 O VAL A 8 -11.877 4.135 -7.293 1.00 0.00 O ATOM 70 CB VAL A 8 -13.981 5.139 -9.182 1.00 0.00 C ATOM 71 CG1 VAL A 8 -13.077 6.043 -10.007 1.00 0.00 C ATOM 72 CG2 VAL A 8 -15.387 5.105 -9.762 1.00 0.00 C ATOM 0 H VAL A 8 -14.492 3.130 -7.415 1.00 0.00 H new ATOM 0 HA VAL A 8 -13.309 3.311 -10.111 1.00 0.00 H new ATOM 0 HB VAL A 8 -14.038 5.546 -8.173 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -13.506 7.044 -10.052 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -12.091 6.091 -9.545 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -12.985 5.642 -11.016 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -15.785 6.119 -9.811 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -15.357 4.678 -10.765 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -16.028 4.494 -9.127 1.00 0.00 H new ATOM 82 N GLN A 9 -10.991 3.441 -9.242 1.00 0.00 N ATOM 83 CA GLN A 9 -9.618 3.461 -8.751 1.00 0.00 C ATOM 84 C GLN A 9 -8.804 4.541 -9.456 1.00 0.00 C ATOM 85 O GLN A 9 -9.087 4.898 -10.600 1.00 0.00 O ATOM 86 CB GLN A 9 -8.961 2.095 -8.956 1.00 0.00 C ATOM 87 CG GLN A 9 -8.863 1.680 -10.415 1.00 0.00 C ATOM 88 CD GLN A 9 -8.731 0.179 -10.587 1.00 0.00 C ATOM 89 OE1 GLN A 9 -9.237 -0.597 -9.776 1.00 0.00 O ATOM 90 NE2 GLN A 9 -8.048 -0.238 -11.647 1.00 0.00 N ATOM 0 H GLN A 9 -11.087 3.148 -10.214 1.00 0.00 H new ATOM 0 HA GLN A 9 -9.643 3.688 -7.685 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -7.960 2.114 -8.524 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -9.529 1.342 -8.410 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -9.749 2.026 -10.948 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -8.004 2.171 -10.872 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -7.646 0.440 -12.294 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -7.926 -1.237 -11.814 1.00 0.00 H new ATOM 99 N ARG A 10 -7.793 5.058 -8.765 1.00 0.00 N ATOM 100 CA ARG A 10 -6.939 6.099 -9.324 1.00 0.00 C ATOM 101 C ARG A 10 -5.487 5.636 -9.386 1.00 0.00 C ATOM 102 O ARG A 10 -5.026 4.888 -8.522 1.00 0.00 O ATOM 103 CB ARG A 10 -7.043 7.377 -8.490 1.00 0.00 C ATOM 104 CG ARG A 10 -6.279 8.552 -9.077 1.00 0.00 C ATOM 105 CD ARG A 10 -6.798 8.918 -10.459 1.00 0.00 C ATOM 106 NE ARG A 10 -6.167 10.129 -10.978 1.00 0.00 N ATOM 107 CZ ARG A 10 -6.430 11.348 -10.521 1.00 0.00 C ATOM 108 NH1 ARG A 10 -7.307 11.518 -9.541 1.00 0.00 N ATOM 109 NH2 ARG A 10 -5.814 12.401 -11.044 1.00 0.00 N ATOM 0 H ARG A 10 -7.545 4.773 -7.817 1.00 0.00 H new ATOM 0 HA ARG A 10 -7.280 6.307 -10.338 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -8.093 7.651 -8.390 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -6.669 7.177 -7.486 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -6.367 9.413 -8.414 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -5.219 8.304 -9.139 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -6.615 8.091 -11.145 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -7.877 9.062 -10.414 1.00 0.00 H new ATOM 0 HE ARG A 10 -5.487 10.033 -11.733 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -7.782 10.711 -9.136 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -7.507 12.455 -9.192 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -5.138 12.274 -11.797 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -6.017 13.337 -10.693 1.00 0.00 H new ATOM 123 N CYS A 11 -4.771 6.084 -10.411 1.00 0.00 N ATOM 124 CA CYS A 11 -3.371 5.715 -10.586 1.00 0.00 C ATOM 125 C CYS A 11 -2.455 6.701 -9.869 1.00 0.00 C ATOM 126 O CYS A 11 -2.335 7.858 -10.272 1.00 0.00 O ATOM 127 CB CYS A 11 -3.018 5.660 -12.073 1.00 0.00 C ATOM 128 SG CYS A 11 -3.683 4.217 -12.937 1.00 0.00 S ATOM 0 H CYS A 11 -5.137 6.704 -11.134 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.224 4.727 -10.149 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -3.390 6.563 -12.557 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -1.933 5.665 -12.178 1.00 0.00 H new ATOM 0 HG CYS A 11 -3.333 4.261 -14.188 1.00 0.00 H new ATOM 134 N VAL A 12 -1.810 6.236 -8.804 1.00 0.00 N ATOM 135 CA VAL A 12 -0.905 7.077 -8.030 1.00 0.00 C ATOM 136 C VAL A 12 0.538 6.604 -8.169 1.00 0.00 C ATOM 137 O VAL A 12 0.794 5.424 -8.410 1.00 0.00 O ATOM 138 CB VAL A 12 -1.288 7.090 -6.538 1.00 0.00 C ATOM 139 CG1 VAL A 12 -1.078 5.715 -5.921 1.00 0.00 C ATOM 140 CG2 VAL A 12 -0.488 8.146 -5.792 1.00 0.00 C ATOM 0 H VAL A 12 -1.898 5.281 -8.457 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.993 8.088 -8.429 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.345 7.342 -6.454 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.354 5.743 -4.867 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.700 4.985 -6.439 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.030 5.431 -6.014 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.771 8.141 -4.740 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.576 7.927 -5.882 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.694 9.128 -6.219 1.00 0.00 H new ATOM 150 N ILE A 13 1.476 7.532 -8.014 1.00 0.00 N ATOM 151 CA ILE A 13 2.894 7.210 -8.121 1.00 0.00 C ATOM 152 C ILE A 13 3.709 7.963 -7.075 1.00 0.00 C ATOM 153 O ILE A 13 3.514 9.161 -6.867 1.00 0.00 O ATOM 154 CB ILE A 13 3.443 7.542 -9.521 1.00 0.00 C ATOM 155 CG1 ILE A 13 2.694 6.743 -10.589 1.00 0.00 C ATOM 156 CG2 ILE A 13 4.935 7.255 -9.586 1.00 0.00 C ATOM 157 CD1 ILE A 13 2.888 7.278 -11.991 1.00 0.00 C ATOM 0 H ILE A 13 1.280 8.513 -7.814 1.00 0.00 H new ATOM 0 HA ILE A 13 2.988 6.138 -7.948 1.00 0.00 H new ATOM 0 HB ILE A 13 3.288 8.604 -9.714 1.00 0.00 H new ATOM 0 HG12 ILE A 13 3.027 5.706 -10.555 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.630 6.744 -10.352 1.00 0.00 H new ATOM 0 HG21 ILE A 13 5.309 7.495 -10.582 1.00 0.00 H new ATOM 0 HG22 ILE A 13 5.455 7.864 -8.847 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.112 6.200 -9.376 1.00 0.00 H new ATOM 0 HD11 ILE A 13 2.328 6.663 -12.696 1.00 0.00 H new ATOM 0 HD12 ILE A 13 2.528 8.306 -12.041 1.00 0.00 H new ATOM 0 HD13 ILE A 13 3.947 7.251 -12.247 1.00 0.00 H new ATOM 169 N ILE A 14 4.623 7.254 -6.422 1.00 0.00 N ATOM 170 CA ILE A 14 5.470 7.856 -5.400 1.00 0.00 C ATOM 171 C ILE A 14 6.947 7.655 -5.722 1.00 0.00 C ATOM 172 O ILE A 14 7.362 6.567 -6.119 1.00 0.00 O ATOM 173 CB ILE A 14 5.175 7.270 -4.007 1.00 0.00 C ATOM 174 CG1 ILE A 14 3.697 7.453 -3.655 1.00 0.00 C ATOM 175 CG2 ILE A 14 6.060 7.926 -2.958 1.00 0.00 C ATOM 176 CD1 ILE A 14 3.160 6.386 -2.727 1.00 0.00 C ATOM 0 H ILE A 14 4.796 6.262 -6.582 1.00 0.00 H new ATOM 0 HA ILE A 14 5.244 8.922 -5.391 1.00 0.00 H new ATOM 0 HB ILE A 14 5.396 6.203 -4.024 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.561 8.429 -3.190 1.00 0.00 H new ATOM 0 HG13 ILE A 14 3.110 7.453 -4.574 1.00 0.00 H new ATOM 0 HG21 ILE A 14 5.840 7.501 -1.979 1.00 0.00 H new ATOM 0 HG22 ILE A 14 7.107 7.749 -3.203 1.00 0.00 H new ATOM 0 HG23 ILE A 14 5.868 8.999 -2.940 1.00 0.00 H new ATOM 0 HD11 ILE A 14 2.107 6.579 -2.521 1.00 0.00 H new ATOM 0 HD12 ILE A 14 3.264 5.408 -3.198 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.721 6.400 -1.793 1.00 0.00 H new ATOM 188 N GLN A 15 7.735 8.711 -5.545 1.00 0.00 N ATOM 189 CA GLN A 15 9.166 8.649 -5.816 1.00 0.00 C ATOM 190 C GLN A 15 9.970 9.055 -4.585 1.00 0.00 C ATOM 191 O GLN A 15 9.603 9.988 -3.870 1.00 0.00 O ATOM 192 CB GLN A 15 9.523 9.555 -6.995 1.00 0.00 C ATOM 193 CG GLN A 15 9.486 11.037 -6.657 1.00 0.00 C ATOM 194 CD GLN A 15 9.817 11.916 -7.848 1.00 0.00 C ATOM 195 OE1 GLN A 15 10.952 11.933 -8.325 1.00 0.00 O ATOM 196 NE2 GLN A 15 8.824 12.651 -8.334 1.00 0.00 N ATOM 0 H GLN A 15 7.407 9.619 -5.215 1.00 0.00 H new ATOM 0 HA GLN A 15 9.419 7.619 -6.070 1.00 0.00 H new ATOM 0 HB2 GLN A 15 10.520 9.297 -7.352 1.00 0.00 H new ATOM 0 HB3 GLN A 15 8.831 9.360 -7.814 1.00 0.00 H new ATOM 0 HG2 GLN A 15 8.495 11.296 -6.283 1.00 0.00 H new ATOM 0 HG3 GLN A 15 10.193 11.240 -5.853 1.00 0.00 H new ATOM 0 HE21 GLN A 15 7.899 12.605 -7.907 1.00 0.00 H new ATOM 0 HE22 GLN A 15 8.986 13.262 -9.135 1.00 0.00 H new ATOM 205 N LYS A 16 11.070 8.349 -4.344 1.00 0.00 N ATOM 206 CA LYS A 16 11.928 8.636 -3.200 1.00 0.00 C ATOM 207 C LYS A 16 12.150 10.137 -3.050 1.00 0.00 C ATOM 208 O LYS A 16 12.384 10.842 -4.032 1.00 0.00 O ATOM 209 CB LYS A 16 13.274 7.924 -3.355 1.00 0.00 C ATOM 210 CG LYS A 16 14.102 8.435 -4.521 1.00 0.00 C ATOM 211 CD LYS A 16 15.193 7.450 -4.906 1.00 0.00 C ATOM 212 CE LYS A 16 15.972 7.927 -6.122 1.00 0.00 C ATOM 213 NZ LYS A 16 16.804 9.123 -5.813 1.00 0.00 N ATOM 0 H LYS A 16 11.388 7.574 -4.926 1.00 0.00 H new ATOM 0 HA LYS A 16 11.430 8.268 -2.303 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.846 8.042 -2.435 1.00 0.00 H new ATOM 0 HB3 LYS A 16 13.098 6.856 -3.486 1.00 0.00 H new ATOM 0 HG2 LYS A 16 13.453 8.613 -5.378 1.00 0.00 H new ATOM 0 HG3 LYS A 16 14.552 9.392 -4.257 1.00 0.00 H new ATOM 0 HD2 LYS A 16 15.875 7.314 -4.066 1.00 0.00 H new ATOM 0 HD3 LYS A 16 14.749 6.477 -5.116 1.00 0.00 H new ATOM 0 HE2 LYS A 16 16.613 7.122 -6.482 1.00 0.00 H new ATOM 0 HE3 LYS A 16 15.278 8.166 -6.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 17.371 9.377 -6.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 16.186 9.920 -5.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 17.437 8.909 -5.016 1.00 0.00 H new ATOM 227 N ASP A 17 12.076 10.621 -1.814 1.00 0.00 N ATOM 228 CA ASP A 17 12.271 12.038 -1.535 1.00 0.00 C ATOM 229 C ASP A 17 13.480 12.252 -0.629 1.00 0.00 C ATOM 230 O ASP A 17 14.423 12.955 -0.993 1.00 0.00 O ATOM 231 CB ASP A 17 11.020 12.629 -0.884 1.00 0.00 C ATOM 232 CG ASP A 17 10.513 11.784 0.268 1.00 0.00 C ATOM 233 OD1 ASP A 17 10.130 10.620 0.028 1.00 0.00 O ATOM 234 OD2 ASP A 17 10.500 12.287 1.411 1.00 0.00 O ATOM 0 H ASP A 17 11.882 10.052 -0.990 1.00 0.00 H new ATOM 0 HA ASP A 17 12.453 12.547 -2.481 1.00 0.00 H new ATOM 0 HB2 ASP A 17 11.241 13.634 -0.524 1.00 0.00 H new ATOM 0 HB3 ASP A 17 10.235 12.725 -1.634 1.00 0.00 H new ATOM 239 N GLN A 18 13.445 11.642 0.551 1.00 0.00 N ATOM 240 CA GLN A 18 14.537 11.767 1.509 1.00 0.00 C ATOM 241 C GLN A 18 15.220 10.422 1.734 1.00 0.00 C ATOM 242 O GLN A 18 16.424 10.282 1.519 1.00 0.00 O ATOM 243 CB GLN A 18 14.017 12.318 2.837 1.00 0.00 C ATOM 244 CG GLN A 18 13.666 13.796 2.788 1.00 0.00 C ATOM 245 CD GLN A 18 14.891 14.683 2.681 1.00 0.00 C ATOM 246 OE1 GLN A 18 15.327 15.029 1.582 1.00 0.00 O ATOM 247 NE2 GLN A 18 15.453 15.057 3.824 1.00 0.00 N ATOM 0 H GLN A 18 12.672 11.056 0.867 1.00 0.00 H new ATOM 0 HA GLN A 18 15.270 12.461 1.098 1.00 0.00 H new ATOM 0 HB2 GLN A 18 13.133 11.753 3.134 1.00 0.00 H new ATOM 0 HB3 GLN A 18 14.771 12.158 3.607 1.00 0.00 H new ATOM 0 HG2 GLN A 18 13.012 13.982 1.936 1.00 0.00 H new ATOM 0 HG3 GLN A 18 13.106 14.063 3.684 1.00 0.00 H new ATOM 0 HE21 GLN A 18 15.058 14.747 4.712 1.00 0.00 H new ATOM 0 HE22 GLN A 18 16.280 15.655 3.814 1.00 0.00 H new ATOM 256 N HIS A 19 14.443 9.435 2.170 1.00 0.00 N ATOM 257 CA HIS A 19 14.974 8.101 2.425 1.00 0.00 C ATOM 258 C HIS A 19 14.126 7.038 1.734 1.00 0.00 C ATOM 259 O HIS A 19 13.849 5.983 2.304 1.00 0.00 O ATOM 260 CB HIS A 19 15.027 7.829 3.929 1.00 0.00 C ATOM 261 CG HIS A 19 16.138 8.550 4.629 1.00 0.00 C ATOM 262 ND1 HIS A 19 17.395 8.012 4.799 1.00 0.00 N ATOM 263 CD2 HIS A 19 16.174 9.776 5.201 1.00 0.00 C ATOM 264 CE1 HIS A 19 18.157 8.874 5.448 1.00 0.00 C ATOM 265 NE2 HIS A 19 17.440 9.954 5.703 1.00 0.00 N ATOM 0 H HIS A 19 13.445 9.534 2.354 1.00 0.00 H new ATOM 0 HA HIS A 19 15.985 8.055 2.019 1.00 0.00 H new ATOM 0 HB2 HIS A 19 14.077 8.121 4.376 1.00 0.00 H new ATOM 0 HB3 HIS A 19 15.141 6.757 4.092 1.00 0.00 H new ATOM 0 HD2 HIS A 19 15.359 10.483 5.253 1.00 0.00 H new ATOM 0 HE1 HIS A 19 19.190 8.722 5.723 1.00 0.00 H new ATOM 0 HE2 HIS A 19 17.772 10.785 6.193 1.00 0.00 H new ATOM 274 N GLY A 20 13.715 7.324 0.502 1.00 0.00 N ATOM 275 CA GLY A 20 12.901 6.383 -0.246 1.00 0.00 C ATOM 276 C GLY A 20 11.417 6.596 -0.024 1.00 0.00 C ATOM 277 O GLY A 20 10.924 7.720 -0.113 1.00 0.00 O ATOM 0 H GLY A 20 13.931 8.190 0.009 1.00 0.00 H new ATOM 0 HA2 GLY A 20 13.124 6.479 -1.309 1.00 0.00 H new ATOM 0 HA3 GLY A 20 13.167 5.367 0.045 1.00 0.00 H new ATOM 281 N PHE A 21 10.702 5.513 0.263 1.00 0.00 N ATOM 282 CA PHE A 21 9.264 5.586 0.495 1.00 0.00 C ATOM 283 C PHE A 21 8.959 5.702 1.985 1.00 0.00 C ATOM 284 O PHE A 21 9.634 5.097 2.817 1.00 0.00 O ATOM 285 CB PHE A 21 8.569 4.352 -0.085 1.00 0.00 C ATOM 286 CG PHE A 21 8.977 4.043 -1.498 1.00 0.00 C ATOM 287 CD1 PHE A 21 8.821 4.987 -2.500 1.00 0.00 C ATOM 288 CD2 PHE A 21 9.516 2.809 -1.823 1.00 0.00 C ATOM 289 CE1 PHE A 21 9.194 4.705 -3.800 1.00 0.00 C ATOM 290 CE2 PHE A 21 9.891 2.521 -3.122 1.00 0.00 C ATOM 291 CZ PHE A 21 9.731 3.471 -4.112 1.00 0.00 C ATOM 0 H PHE A 21 11.095 4.575 0.340 1.00 0.00 H new ATOM 0 HA PHE A 21 8.885 6.477 -0.006 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.790 3.491 0.545 1.00 0.00 H new ATOM 0 HB3 PHE A 21 7.490 4.503 -0.052 1.00 0.00 H new ATOM 0 HD1 PHE A 21 8.403 5.954 -2.262 1.00 0.00 H new ATOM 0 HD2 PHE A 21 9.645 2.063 -1.053 1.00 0.00 H new ATOM 0 HE1 PHE A 21 9.066 5.449 -4.572 1.00 0.00 H new ATOM 0 HE2 PHE A 21 10.309 1.554 -3.363 1.00 0.00 H new ATOM 0 HZ PHE A 21 10.025 3.250 -5.127 1.00 0.00 H new ATOM 301 N GLY A 22 7.936 6.485 2.315 1.00 0.00 N ATOM 302 CA GLY A 22 7.559 6.667 3.704 1.00 0.00 C ATOM 303 C GLY A 22 6.512 5.669 4.157 1.00 0.00 C ATOM 304 O GLY A 22 6.470 5.289 5.327 1.00 0.00 O ATOM 0 H GLY A 22 7.362 6.996 1.645 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.444 6.571 4.333 1.00 0.00 H new ATOM 0 HA3 GLY A 22 7.177 7.678 3.844 1.00 0.00 H new ATOM 308 N PHE A 23 5.662 5.242 3.228 1.00 0.00 N ATOM 309 CA PHE A 23 4.608 4.284 3.538 1.00 0.00 C ATOM 310 C PHE A 23 5.157 2.860 3.560 1.00 0.00 C ATOM 311 O PHE A 23 6.156 2.557 2.907 1.00 0.00 O ATOM 312 CB PHE A 23 3.476 4.390 2.515 1.00 0.00 C ATOM 313 CG PHE A 23 3.680 3.528 1.302 1.00 0.00 C ATOM 314 CD1 PHE A 23 4.798 3.692 0.499 1.00 0.00 C ATOM 315 CD2 PHE A 23 2.755 2.553 0.965 1.00 0.00 C ATOM 316 CE1 PHE A 23 4.988 2.900 -0.617 1.00 0.00 C ATOM 317 CE2 PHE A 23 2.940 1.758 -0.151 1.00 0.00 C ATOM 318 CZ PHE A 23 4.059 1.931 -0.942 1.00 0.00 C ATOM 0 H PHE A 23 5.683 5.545 2.254 1.00 0.00 H new ATOM 0 HA PHE A 23 4.217 4.520 4.528 1.00 0.00 H new ATOM 0 HB2 PHE A 23 2.537 4.112 2.994 1.00 0.00 H new ATOM 0 HB3 PHE A 23 3.378 5.429 2.200 1.00 0.00 H new ATOM 0 HD1 PHE A 23 5.529 4.447 0.749 1.00 0.00 H new ATOM 0 HD2 PHE A 23 1.879 2.412 1.581 1.00 0.00 H new ATOM 0 HE1 PHE A 23 5.863 3.039 -1.235 1.00 0.00 H new ATOM 0 HE2 PHE A 23 2.211 1.003 -0.404 1.00 0.00 H new ATOM 0 HZ PHE A 23 4.207 1.310 -1.813 1.00 0.00 H new ATOM 328 N THR A 24 4.496 1.989 4.315 1.00 0.00 N ATOM 329 CA THR A 24 4.917 0.598 4.425 1.00 0.00 C ATOM 330 C THR A 24 3.714 -0.337 4.495 1.00 0.00 C ATOM 331 O THR A 24 2.685 0.002 5.078 1.00 0.00 O ATOM 332 CB THR A 24 5.799 0.374 5.667 1.00 0.00 C ATOM 333 OG1 THR A 24 5.042 0.621 6.857 1.00 0.00 O ATOM 334 CG2 THR A 24 7.017 1.285 5.637 1.00 0.00 C ATOM 0 H THR A 24 3.666 2.222 4.860 1.00 0.00 H new ATOM 0 HA THR A 24 5.498 0.373 3.531 1.00 0.00 H new ATOM 0 HB THR A 24 6.139 -0.662 5.662 1.00 0.00 H new ATOM 0 HG1 THR A 24 5.610 0.475 7.642 1.00 0.00 H new ATOM 0 HG21 THR A 24 7.625 1.109 6.524 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.607 1.074 4.745 1.00 0.00 H new ATOM 0 HG23 THR A 24 6.693 2.326 5.620 1.00 0.00 H new ATOM 342 N VAL A 25 3.851 -1.516 3.896 1.00 0.00 N ATOM 343 CA VAL A 25 2.776 -2.500 3.892 1.00 0.00 C ATOM 344 C VAL A 25 3.179 -3.756 4.658 1.00 0.00 C ATOM 345 O VAL A 25 4.335 -4.175 4.619 1.00 0.00 O ATOM 346 CB VAL A 25 2.380 -2.893 2.456 1.00 0.00 C ATOM 347 CG1 VAL A 25 1.722 -1.721 1.744 1.00 0.00 C ATOM 348 CG2 VAL A 25 3.596 -3.383 1.684 1.00 0.00 C ATOM 0 H VAL A 25 4.696 -1.812 3.407 1.00 0.00 H new ATOM 0 HA VAL A 25 1.920 -2.037 4.383 1.00 0.00 H new ATOM 0 HB VAL A 25 1.658 -3.708 2.506 1.00 0.00 H new ATOM 0 HG11 VAL A 25 1.449 -2.017 0.731 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.826 -1.421 2.288 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.418 -0.883 1.702 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.298 -3.656 0.672 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.343 -2.591 1.641 1.00 0.00 H new ATOM 0 HG23 VAL A 25 4.019 -4.254 2.185 1.00 0.00 H new ATOM 358 N SER A 26 2.215 -4.352 5.353 1.00 0.00 N ATOM 359 CA SER A 26 2.469 -5.559 6.132 1.00 0.00 C ATOM 360 C SER A 26 1.430 -6.632 5.825 1.00 0.00 C ATOM 361 O SER A 26 1.374 -7.666 6.488 1.00 0.00 O ATOM 362 CB SER A 26 2.461 -5.238 7.627 1.00 0.00 C ATOM 363 OG SER A 26 3.307 -6.120 8.343 1.00 0.00 O ATOM 0 H SER A 26 1.252 -4.019 5.393 1.00 0.00 H new ATOM 0 HA SER A 26 3.452 -5.940 5.855 1.00 0.00 H new ATOM 0 HB2 SER A 26 2.787 -4.210 7.783 1.00 0.00 H new ATOM 0 HB3 SER A 26 1.444 -5.312 8.012 1.00 0.00 H new ATOM 0 HG SER A 26 3.285 -5.893 9.296 1.00 0.00 H new ATOM 369 N GLY A 27 0.606 -6.377 4.812 1.00 0.00 N ATOM 370 CA GLY A 27 -0.421 -7.330 4.434 1.00 0.00 C ATOM 371 C GLY A 27 0.123 -8.465 3.590 1.00 0.00 C ATOM 372 O GLY A 27 0.621 -8.244 2.486 1.00 0.00 O ATOM 0 H GLY A 27 0.632 -5.528 4.247 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -0.882 -7.739 5.333 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -1.205 -6.814 3.881 1.00 0.00 H new ATOM 376 N ASP A 28 0.030 -9.684 4.111 1.00 0.00 N ATOM 377 CA ASP A 28 0.518 -10.859 3.398 1.00 0.00 C ATOM 378 C ASP A 28 -0.373 -11.179 2.202 1.00 0.00 C ATOM 379 O ASP A 28 0.028 -11.003 1.052 1.00 0.00 O ATOM 380 CB ASP A 28 0.581 -12.063 4.339 1.00 0.00 C ATOM 381 CG ASP A 28 0.653 -13.380 3.591 1.00 0.00 C ATOM 382 OD1 ASP A 28 1.719 -13.675 3.011 1.00 0.00 O ATOM 383 OD2 ASP A 28 -0.357 -14.115 3.584 1.00 0.00 O ATOM 0 H ASP A 28 -0.379 -9.884 5.024 1.00 0.00 H new ATOM 0 HA ASP A 28 1.521 -10.640 3.032 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.452 -11.969 4.987 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -0.298 -12.063 4.984 1.00 0.00 H new ATOM 388 N ARG A 29 -1.584 -11.649 2.482 1.00 0.00 N ATOM 389 CA ARG A 29 -2.532 -11.996 1.430 1.00 0.00 C ATOM 390 C ARG A 29 -3.072 -10.741 0.751 1.00 0.00 C ATOM 391 O ARG A 29 -3.194 -10.689 -0.474 1.00 0.00 O ATOM 392 CB ARG A 29 -3.688 -12.816 2.005 1.00 0.00 C ATOM 393 CG ARG A 29 -4.546 -13.486 0.944 1.00 0.00 C ATOM 394 CD ARG A 29 -5.351 -14.638 1.525 1.00 0.00 C ATOM 395 NE ARG A 29 -6.098 -15.357 0.496 1.00 0.00 N ATOM 396 CZ ARG A 29 -7.147 -16.129 0.755 1.00 0.00 C ATOM 397 NH1 ARG A 29 -7.571 -16.282 2.002 1.00 0.00 N ATOM 398 NH2 ARG A 29 -7.775 -16.751 -0.235 1.00 0.00 N ATOM 0 H ARG A 29 -1.932 -11.798 3.429 1.00 0.00 H new ATOM 0 HA ARG A 29 -2.007 -12.595 0.685 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.285 -13.580 2.670 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.318 -12.165 2.612 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.223 -12.753 0.505 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.910 -13.855 0.139 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -4.679 -15.329 2.035 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -6.043 -14.255 2.275 1.00 0.00 H new ATOM 0 HE ARG A 29 -5.798 -15.261 -0.474 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -7.091 -15.806 2.766 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -8.377 -16.876 2.197 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -7.452 -16.636 -1.196 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -8.581 -17.344 -0.035 1.00 0.00 H new ATOM 412 N ILE A 30 -3.395 -9.732 1.553 1.00 0.00 N ATOM 413 CA ILE A 30 -3.922 -8.478 1.029 1.00 0.00 C ATOM 414 C ILE A 30 -3.046 -7.299 1.441 1.00 0.00 C ATOM 415 O ILE A 30 -3.136 -6.807 2.565 1.00 0.00 O ATOM 416 CB ILE A 30 -5.362 -8.226 1.513 1.00 0.00 C ATOM 417 CG1 ILE A 30 -6.221 -9.473 1.296 1.00 0.00 C ATOM 418 CG2 ILE A 30 -5.962 -7.030 0.790 1.00 0.00 C ATOM 419 CD1 ILE A 30 -6.779 -9.586 -0.106 1.00 0.00 C ATOM 0 H ILE A 30 -3.301 -9.758 2.568 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.923 -8.566 -0.057 1.00 0.00 H new ATOM 0 HB ILE A 30 -5.338 -8.006 2.580 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.623 -10.358 1.513 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.047 -9.464 2.007 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -6.980 -6.865 1.143 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.360 -6.144 0.991 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.977 -7.223 -0.283 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -7.377 -10.493 -0.187 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -7.404 -8.719 -0.320 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -5.958 -9.627 -0.822 1.00 0.00 H new ATOM 431 N VAL A 31 -2.198 -6.850 0.521 1.00 0.00 N ATOM 432 CA VAL A 31 -1.307 -5.726 0.786 1.00 0.00 C ATOM 433 C VAL A 31 -2.089 -4.504 1.255 1.00 0.00 C ATOM 434 O VAL A 31 -2.936 -3.979 0.531 1.00 0.00 O ATOM 435 CB VAL A 31 -0.491 -5.350 -0.465 1.00 0.00 C ATOM 436 CG1 VAL A 31 0.396 -4.147 -0.182 1.00 0.00 C ATOM 437 CG2 VAL A 31 0.339 -6.536 -0.935 1.00 0.00 C ATOM 0 H VAL A 31 -2.109 -7.247 -0.414 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.624 -6.042 1.575 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.184 -5.081 -1.263 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.965 -3.896 -1.077 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.224 -3.297 0.104 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.083 -4.385 0.630 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.909 -6.253 -1.820 1.00 0.00 H new ATOM 0 HG22 VAL A 31 1.024 -6.837 -0.143 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.321 -7.368 -1.180 1.00 0.00 H new ATOM 447 N LEU A 32 -1.799 -4.055 2.471 1.00 0.00 N ATOM 448 CA LEU A 32 -2.474 -2.893 3.039 1.00 0.00 C ATOM 449 C LEU A 32 -1.472 -1.949 3.696 1.00 0.00 C ATOM 450 O LEU A 32 -0.575 -2.384 4.419 1.00 0.00 O ATOM 451 CB LEU A 32 -3.522 -3.336 4.061 1.00 0.00 C ATOM 452 CG LEU A 32 -4.748 -4.055 3.497 1.00 0.00 C ATOM 453 CD1 LEU A 32 -5.571 -4.666 4.620 1.00 0.00 C ATOM 454 CD2 LEU A 32 -5.595 -3.097 2.672 1.00 0.00 C ATOM 0 H LEU A 32 -1.101 -4.478 3.083 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.970 -2.359 2.228 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.040 -3.995 4.784 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.861 -2.456 4.608 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.407 -4.859 2.845 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.439 -5.174 4.200 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.961 -5.384 5.169 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.903 -3.879 5.297 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.463 -3.626 2.278 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.927 -2.271 3.301 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.002 -2.707 1.845 1.00 0.00 H new ATOM 466 N VAL A 33 -1.633 -0.654 3.443 1.00 0.00 N ATOM 467 CA VAL A 33 -0.745 0.353 4.013 1.00 0.00 C ATOM 468 C VAL A 33 -0.751 0.291 5.536 1.00 0.00 C ATOM 469 O VAL A 33 -1.684 0.766 6.183 1.00 0.00 O ATOM 470 CB VAL A 33 -1.145 1.771 3.566 1.00 0.00 C ATOM 471 CG1 VAL A 33 -0.287 2.814 4.267 1.00 0.00 C ATOM 472 CG2 VAL A 33 -1.034 1.905 2.055 1.00 0.00 C ATOM 0 H VAL A 33 -2.370 -0.277 2.847 1.00 0.00 H new ATOM 0 HA VAL A 33 0.258 0.135 3.647 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.184 1.942 3.847 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.584 3.810 3.939 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.423 2.732 5.345 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.762 2.648 4.020 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.321 2.914 1.757 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.006 1.714 1.747 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.696 1.183 1.576 1.00 0.00 H new ATOM 482 N GLN A 34 0.297 -0.298 6.103 1.00 0.00 N ATOM 483 CA GLN A 34 0.413 -0.421 7.551 1.00 0.00 C ATOM 484 C GLN A 34 0.505 0.951 8.209 1.00 0.00 C ATOM 485 O GLN A 34 -0.274 1.275 9.105 1.00 0.00 O ATOM 486 CB GLN A 34 1.640 -1.259 7.916 1.00 0.00 C ATOM 487 CG GLN A 34 1.726 -1.599 9.395 1.00 0.00 C ATOM 488 CD GLN A 34 3.148 -1.852 9.855 1.00 0.00 C ATOM 489 OE1 GLN A 34 4.043 -1.040 9.617 1.00 0.00 O ATOM 490 NE2 GLN A 34 3.365 -2.982 10.517 1.00 0.00 N ATOM 0 H GLN A 34 1.078 -0.697 5.582 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.482 -0.921 7.921 1.00 0.00 H new ATOM 0 HB2 GLN A 34 1.623 -2.184 7.339 1.00 0.00 H new ATOM 0 HB3 GLN A 34 2.540 -0.718 7.623 1.00 0.00 H new ATOM 0 HG2 GLN A 34 1.300 -0.782 9.977 1.00 0.00 H new ATOM 0 HG3 GLN A 34 1.121 -2.483 9.596 1.00 0.00 H new ATOM 0 HE21 GLN A 34 2.594 -3.627 10.692 1.00 0.00 H new ATOM 0 HE22 GLN A 34 4.303 -3.206 10.850 1.00 0.00 H new ATOM 499 N SER A 35 1.464 1.755 7.759 1.00 0.00 N ATOM 500 CA SER A 35 1.661 3.092 8.307 1.00 0.00 C ATOM 501 C SER A 35 2.181 4.046 7.237 1.00 0.00 C ATOM 502 O SER A 35 2.794 3.624 6.256 1.00 0.00 O ATOM 503 CB SER A 35 2.638 3.044 9.484 1.00 0.00 C ATOM 504 OG SER A 35 1.954 2.834 10.707 1.00 0.00 O ATOM 0 H SER A 35 2.116 1.503 7.016 1.00 0.00 H new ATOM 0 HA SER A 35 0.697 3.460 8.659 1.00 0.00 H new ATOM 0 HB2 SER A 35 3.362 2.245 9.327 1.00 0.00 H new ATOM 0 HB3 SER A 35 3.199 3.977 9.533 1.00 0.00 H new ATOM 0 HG SER A 35 1.140 2.313 10.542 1.00 0.00 H new ATOM 510 N VAL A 36 1.933 5.337 7.433 1.00 0.00 N ATOM 511 CA VAL A 36 2.376 6.354 6.487 1.00 0.00 C ATOM 512 C VAL A 36 3.047 7.519 7.205 1.00 0.00 C ATOM 513 O VAL A 36 2.432 8.182 8.041 1.00 0.00 O ATOM 514 CB VAL A 36 1.202 6.890 5.647 1.00 0.00 C ATOM 515 CG1 VAL A 36 1.668 8.010 4.730 1.00 0.00 C ATOM 516 CG2 VAL A 36 0.562 5.766 4.846 1.00 0.00 C ATOM 0 H VAL A 36 1.427 5.704 8.239 1.00 0.00 H new ATOM 0 HA VAL A 36 3.098 5.876 5.825 1.00 0.00 H new ATOM 0 HB VAL A 36 0.451 7.296 6.324 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.824 8.376 4.145 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.075 8.825 5.329 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.439 7.633 4.058 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.266 6.163 4.259 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.303 5.327 4.178 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.189 5.001 5.527 1.00 0.00 H new ATOM 526 N ARG A 37 4.311 7.763 6.875 1.00 0.00 N ATOM 527 CA ARG A 37 5.066 8.848 7.490 1.00 0.00 C ATOM 528 C ARG A 37 4.227 10.120 7.562 1.00 0.00 C ATOM 529 O ARG A 37 3.539 10.495 6.612 1.00 0.00 O ATOM 530 CB ARG A 37 6.350 9.115 6.702 1.00 0.00 C ATOM 531 CG ARG A 37 7.365 9.956 7.458 1.00 0.00 C ATOM 532 CD ARG A 37 8.008 9.169 8.589 1.00 0.00 C ATOM 533 NE ARG A 37 9.003 8.220 8.099 1.00 0.00 N ATOM 534 CZ ARG A 37 9.852 7.571 8.888 1.00 0.00 C ATOM 535 NH1 ARG A 37 9.826 7.768 10.199 1.00 0.00 N ATOM 536 NH2 ARG A 37 10.729 6.723 8.367 1.00 0.00 N ATOM 0 H ARG A 37 4.834 7.224 6.185 1.00 0.00 H new ATOM 0 HA ARG A 37 5.327 8.547 8.505 1.00 0.00 H new ATOM 0 HB2 ARG A 37 6.807 8.162 6.435 1.00 0.00 H new ATOM 0 HB3 ARG A 37 6.096 9.619 5.770 1.00 0.00 H new ATOM 0 HG2 ARG A 37 8.136 10.303 6.770 1.00 0.00 H new ATOM 0 HG3 ARG A 37 6.876 10.842 7.862 1.00 0.00 H new ATOM 0 HD2 ARG A 37 8.479 9.859 9.289 1.00 0.00 H new ATOM 0 HD3 ARG A 37 7.237 8.632 9.141 1.00 0.00 H new ATOM 0 HE ARG A 37 9.049 8.046 7.095 1.00 0.00 H new ATOM 0 HH11 ARG A 37 9.153 8.419 10.604 1.00 0.00 H new ATOM 0 HH12 ARG A 37 10.479 7.268 10.803 1.00 0.00 H new ATOM 0 HH21 ARG A 37 10.752 6.568 7.359 1.00 0.00 H new ATOM 0 HH22 ARG A 37 11.380 6.226 8.974 1.00 0.00 H new ATOM 550 N PRO A 38 4.284 10.802 8.716 1.00 0.00 N ATOM 551 CA PRO A 38 3.536 12.043 8.940 1.00 0.00 C ATOM 552 C PRO A 38 4.078 13.204 8.114 1.00 0.00 C ATOM 553 O PRO A 38 3.558 14.317 8.174 1.00 0.00 O ATOM 554 CB PRO A 38 3.734 12.311 10.434 1.00 0.00 C ATOM 555 CG PRO A 38 5.013 11.627 10.776 1.00 0.00 C ATOM 556 CD PRO A 38 5.083 10.414 9.891 1.00 0.00 C ATOM 0 HA PRO A 38 2.491 11.948 8.644 1.00 0.00 H new ATOM 0 HB2 PRO A 38 3.789 13.380 10.640 1.00 0.00 H new ATOM 0 HB3 PRO A 38 2.905 11.916 11.020 1.00 0.00 H new ATOM 0 HG2 PRO A 38 5.865 12.285 10.605 1.00 0.00 H new ATOM 0 HG3 PRO A 38 5.035 11.344 11.828 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.111 10.175 9.617 1.00 0.00 H new ATOM 0 HD3 PRO A 38 4.672 9.533 10.384 1.00 0.00 H new ATOM 564 N GLY A 39 5.128 12.936 7.343 1.00 0.00 N ATOM 565 CA GLY A 39 5.723 13.969 6.515 1.00 0.00 C ATOM 566 C GLY A 39 6.586 13.399 5.407 1.00 0.00 C ATOM 567 O GLY A 39 7.723 13.828 5.214 1.00 0.00 O ATOM 0 H GLY A 39 5.577 12.022 7.277 1.00 0.00 H new ATOM 0 HA2 GLY A 39 4.933 14.580 6.078 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.327 14.628 7.139 1.00 0.00 H new ATOM 571 N GLY A 40 6.045 12.428 4.678 1.00 0.00 N ATOM 572 CA GLY A 40 6.788 11.813 3.594 1.00 0.00 C ATOM 573 C GLY A 40 6.153 12.063 2.241 1.00 0.00 C ATOM 574 O GLY A 40 5.295 12.933 2.102 1.00 0.00 O ATOM 0 H GLY A 40 5.106 12.056 4.819 1.00 0.00 H new ATOM 0 HA2 GLY A 40 7.807 12.200 3.591 1.00 0.00 H new ATOM 0 HA3 GLY A 40 6.855 10.739 3.767 1.00 0.00 H new ATOM 578 N ALA A 41 6.578 11.299 1.239 1.00 0.00 N ATOM 579 CA ALA A 41 6.045 11.442 -0.110 1.00 0.00 C ATOM 580 C ALA A 41 4.673 10.787 -0.230 1.00 0.00 C ATOM 581 O ALA A 41 3.723 11.399 -0.717 1.00 0.00 O ATOM 582 CB ALA A 41 7.008 10.845 -1.124 1.00 0.00 C ATOM 0 H ALA A 41 7.290 10.575 1.337 1.00 0.00 H new ATOM 0 HA ALA A 41 5.930 12.506 -0.318 1.00 0.00 H new ATOM 0 HB1 ALA A 41 6.597 10.959 -2.127 1.00 0.00 H new ATOM 0 HB2 ALA A 41 7.966 11.361 -1.064 1.00 0.00 H new ATOM 0 HB3 ALA A 41 7.152 9.786 -0.909 1.00 0.00 H new ATOM 588 N ALA A 42 4.578 9.538 0.215 1.00 0.00 N ATOM 589 CA ALA A 42 3.322 8.801 0.158 1.00 0.00 C ATOM 590 C ALA A 42 2.147 9.684 0.566 1.00 0.00 C ATOM 591 O ALA A 42 1.231 9.917 -0.222 1.00 0.00 O ATOM 592 CB ALA A 42 3.392 7.569 1.049 1.00 0.00 C ATOM 0 H ALA A 42 5.356 9.016 0.619 1.00 0.00 H new ATOM 0 HA ALA A 42 3.163 8.483 -0.872 1.00 0.00 H new ATOM 0 HB1 ALA A 42 2.447 7.028 0.997 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.200 6.921 0.711 1.00 0.00 H new ATOM 0 HB3 ALA A 42 3.579 7.875 2.078 1.00 0.00 H new ATOM 598 N MET A 43 2.181 10.173 1.801 1.00 0.00 N ATOM 599 CA MET A 43 1.119 11.031 2.312 1.00 0.00 C ATOM 600 C MET A 43 0.746 12.101 1.291 1.00 0.00 C ATOM 601 O MET A 43 -0.427 12.278 0.962 1.00 0.00 O ATOM 602 CB MET A 43 1.553 11.690 3.623 1.00 0.00 C ATOM 603 CG MET A 43 0.447 12.484 4.299 1.00 0.00 C ATOM 604 SD MET A 43 0.956 13.172 5.886 1.00 0.00 S ATOM 605 CE MET A 43 0.238 11.983 7.016 1.00 0.00 C ATOM 0 H MET A 43 2.932 9.990 2.466 1.00 0.00 H new ATOM 0 HA MET A 43 0.243 10.410 2.498 1.00 0.00 H new ATOM 0 HB2 MET A 43 1.907 10.919 4.308 1.00 0.00 H new ATOM 0 HB3 MET A 43 2.396 12.352 3.426 1.00 0.00 H new ATOM 0 HG2 MET A 43 0.132 13.294 3.641 1.00 0.00 H new ATOM 0 HG3 MET A 43 -0.419 11.839 4.448 1.00 0.00 H new ATOM 0 HE1 MET A 43 0.263 12.383 8.030 1.00 0.00 H new ATOM 0 HE2 MET A 43 -0.795 11.786 6.729 1.00 0.00 H new ATOM 0 HE3 MET A 43 0.808 11.055 6.978 1.00 0.00 H new ATOM 615 N LYS A 44 1.751 12.813 0.793 1.00 0.00 N ATOM 616 CA LYS A 44 1.529 13.865 -0.192 1.00 0.00 C ATOM 617 C LYS A 44 0.767 13.329 -1.399 1.00 0.00 C ATOM 618 O LYS A 44 -0.143 13.981 -1.910 1.00 0.00 O ATOM 619 CB LYS A 44 2.865 14.460 -0.642 1.00 0.00 C ATOM 620 CG LYS A 44 3.545 15.304 0.422 1.00 0.00 C ATOM 621 CD LYS A 44 4.756 16.035 -0.134 1.00 0.00 C ATOM 622 CE LYS A 44 5.935 15.093 -0.325 1.00 0.00 C ATOM 623 NZ LYS A 44 7.199 15.834 -0.590 1.00 0.00 N ATOM 0 H LYS A 44 2.728 12.681 1.055 1.00 0.00 H new ATOM 0 HA LYS A 44 0.929 14.646 0.276 1.00 0.00 H new ATOM 0 HB2 LYS A 44 3.534 13.650 -0.934 1.00 0.00 H new ATOM 0 HB3 LYS A 44 2.700 15.072 -1.529 1.00 0.00 H new ATOM 0 HG2 LYS A 44 2.835 16.027 0.822 1.00 0.00 H new ATOM 0 HG3 LYS A 44 3.853 14.667 1.251 1.00 0.00 H new ATOM 0 HD2 LYS A 44 4.498 16.496 -1.088 1.00 0.00 H new ATOM 0 HD3 LYS A 44 5.039 16.841 0.543 1.00 0.00 H new ATOM 0 HE2 LYS A 44 6.055 14.476 0.566 1.00 0.00 H new ATOM 0 HE3 LYS A 44 5.729 14.417 -1.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 7.979 15.157 -0.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 7.093 16.403 -1.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 7.409 16.460 0.213 1.00 0.00 H new ATOM 637 N ALA A 45 1.144 12.137 -1.850 1.00 0.00 N ATOM 638 CA ALA A 45 0.494 11.512 -2.995 1.00 0.00 C ATOM 639 C ALA A 45 -0.991 11.286 -2.727 1.00 0.00 C ATOM 640 O ALA A 45 -1.814 11.357 -3.638 1.00 0.00 O ATOM 641 CB ALA A 45 1.176 10.196 -3.336 1.00 0.00 C ATOM 0 H ALA A 45 1.897 11.585 -1.439 1.00 0.00 H new ATOM 0 HA ALA A 45 0.585 12.187 -3.846 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.680 9.740 -4.193 1.00 0.00 H new ATOM 0 HB2 ALA A 45 2.223 10.381 -3.578 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.115 9.522 -2.481 1.00 0.00 H new ATOM 647 N GLY A 46 -1.326 11.013 -1.469 1.00 0.00 N ATOM 648 CA GLY A 46 -2.711 10.780 -1.105 1.00 0.00 C ATOM 649 C GLY A 46 -2.963 9.350 -0.670 1.00 0.00 C ATOM 650 O GLY A 46 -4.012 8.778 -0.969 1.00 0.00 O ATOM 0 H GLY A 46 -0.663 10.949 -0.696 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.990 11.457 -0.297 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.352 11.016 -1.955 1.00 0.00 H new ATOM 654 N VAL A 47 -1.999 8.770 0.038 1.00 0.00 N ATOM 655 CA VAL A 47 -2.122 7.397 0.515 1.00 0.00 C ATOM 656 C VAL A 47 -2.309 7.355 2.027 1.00 0.00 C ATOM 657 O VAL A 47 -1.440 7.787 2.784 1.00 0.00 O ATOM 658 CB VAL A 47 -0.885 6.560 0.139 1.00 0.00 C ATOM 659 CG1 VAL A 47 -0.974 5.170 0.750 1.00 0.00 C ATOM 660 CG2 VAL A 47 -0.737 6.477 -1.373 1.00 0.00 C ATOM 0 H VAL A 47 -1.125 9.229 0.294 1.00 0.00 H new ATOM 0 HA VAL A 47 -3.001 6.971 0.031 1.00 0.00 H new ATOM 0 HB VAL A 47 0.000 7.052 0.542 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.091 4.594 0.473 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.028 5.252 1.836 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.867 4.666 0.380 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.142 5.882 -1.620 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.624 6.009 -1.800 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.623 7.480 -1.783 1.00 0.00 H new ATOM 670 N LYS A 48 -3.450 6.832 2.462 1.00 0.00 N ATOM 671 CA LYS A 48 -3.753 6.731 3.885 1.00 0.00 C ATOM 672 C LYS A 48 -3.869 5.271 4.314 1.00 0.00 C ATOM 673 O LYS A 48 -4.046 4.383 3.481 1.00 0.00 O ATOM 674 CB LYS A 48 -5.053 7.472 4.204 1.00 0.00 C ATOM 675 CG LYS A 48 -4.871 8.970 4.382 1.00 0.00 C ATOM 676 CD LYS A 48 -4.315 9.304 5.756 1.00 0.00 C ATOM 677 CE LYS A 48 -4.578 10.757 6.124 1.00 0.00 C ATOM 678 NZ LYS A 48 -3.844 11.157 7.357 1.00 0.00 N ATOM 0 H LYS A 48 -4.181 6.471 1.849 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.935 7.191 4.439 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.769 7.294 3.402 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.485 7.056 5.114 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.197 9.350 3.614 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.828 9.473 4.244 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.768 8.651 6.502 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -3.242 9.111 5.773 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.278 11.401 5.297 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.647 10.906 6.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.049 12.153 7.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.148 10.559 8.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -2.822 11.039 7.206 1.00 0.00 H new ATOM 692 N GLU A 49 -3.770 5.033 5.618 1.00 0.00 N ATOM 693 CA GLU A 49 -3.864 3.681 6.156 1.00 0.00 C ATOM 694 C GLU A 49 -5.186 3.029 5.760 1.00 0.00 C ATOM 695 O GLU A 49 -6.191 3.709 5.561 1.00 0.00 O ATOM 696 CB GLU A 49 -3.732 3.705 7.680 1.00 0.00 C ATOM 697 CG GLU A 49 -2.307 3.913 8.164 1.00 0.00 C ATOM 698 CD GLU A 49 -2.238 4.288 9.632 1.00 0.00 C ATOM 699 OE1 GLU A 49 -2.598 3.442 10.478 1.00 0.00 O ATOM 700 OE2 GLU A 49 -1.823 5.426 9.935 1.00 0.00 O ATOM 0 H GLU A 49 -3.625 5.758 6.321 1.00 0.00 H new ATOM 0 HA GLU A 49 -3.048 3.093 5.737 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.362 4.500 8.078 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -4.111 2.766 8.084 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.734 3.000 7.999 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -1.836 4.697 7.570 1.00 0.00 H new ATOM 707 N GLY A 50 -5.174 1.704 5.645 1.00 0.00 N ATOM 708 CA GLY A 50 -6.376 0.982 5.272 1.00 0.00 C ATOM 709 C GLY A 50 -6.518 0.828 3.771 1.00 0.00 C ATOM 710 O GLY A 50 -7.246 -0.043 3.295 1.00 0.00 O ATOM 0 H GLY A 50 -4.354 1.119 5.803 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.362 -0.004 5.736 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.247 1.506 5.664 1.00 0.00 H new ATOM 714 N ASP A 51 -5.822 1.676 3.023 1.00 0.00 N ATOM 715 CA ASP A 51 -5.873 1.631 1.566 1.00 0.00 C ATOM 716 C ASP A 51 -5.405 0.275 1.047 1.00 0.00 C ATOM 717 O ASP A 51 -4.395 -0.260 1.505 1.00 0.00 O ATOM 718 CB ASP A 51 -5.012 2.745 0.969 1.00 0.00 C ATOM 719 CG ASP A 51 -5.525 3.215 -0.378 1.00 0.00 C ATOM 720 OD1 ASP A 51 -6.099 2.388 -1.116 1.00 0.00 O ATOM 721 OD2 ASP A 51 -5.354 4.411 -0.693 1.00 0.00 O ATOM 0 H ASP A 51 -5.215 2.404 3.401 1.00 0.00 H new ATOM 0 HA ASP A 51 -6.908 1.779 1.259 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.985 3.589 1.659 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -3.987 2.390 0.860 1.00 0.00 H new ATOM 726 N ARG A 52 -6.145 -0.275 0.091 1.00 0.00 N ATOM 727 CA ARG A 52 -5.807 -1.569 -0.488 1.00 0.00 C ATOM 728 C ARG A 52 -5.281 -1.407 -1.912 1.00 0.00 C ATOM 729 O ARG A 52 -5.829 -0.638 -2.702 1.00 0.00 O ATOM 730 CB ARG A 52 -7.030 -2.488 -0.486 1.00 0.00 C ATOM 731 CG ARG A 52 -6.709 -3.930 -0.845 1.00 0.00 C ATOM 732 CD ARG A 52 -7.970 -4.775 -0.940 1.00 0.00 C ATOM 733 NE ARG A 52 -9.087 -4.028 -1.510 1.00 0.00 N ATOM 734 CZ ARG A 52 -9.889 -3.245 -0.797 1.00 0.00 C ATOM 735 NH1 ARG A 52 -9.697 -3.106 0.508 1.00 0.00 N ATOM 736 NH2 ARG A 52 -10.885 -2.597 -1.389 1.00 0.00 N ATOM 0 H ARG A 52 -6.983 0.156 -0.299 1.00 0.00 H new ATOM 0 HA ARG A 52 -5.023 -2.018 0.122 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -7.492 -2.462 0.501 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -7.765 -2.102 -1.192 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -6.178 -3.960 -1.796 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -6.042 -4.353 -0.094 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -7.772 -5.654 -1.553 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -8.242 -5.133 0.053 1.00 0.00 H new ATOM 0 HE ARG A 52 -9.261 -4.112 -2.511 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -8.932 -3.601 0.967 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -10.314 -2.504 1.053 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -11.035 -2.700 -2.393 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -11.500 -1.996 -0.840 1.00 0.00 H new ATOM 750 N ILE A 53 -4.217 -2.136 -2.231 1.00 0.00 N ATOM 751 CA ILE A 53 -3.619 -2.074 -3.558 1.00 0.00 C ATOM 752 C ILE A 53 -4.097 -3.228 -4.432 1.00 0.00 C ATOM 753 O ILE A 53 -4.085 -4.385 -4.010 1.00 0.00 O ATOM 754 CB ILE A 53 -2.081 -2.103 -3.485 1.00 0.00 C ATOM 755 CG1 ILE A 53 -1.562 -0.890 -2.710 1.00 0.00 C ATOM 756 CG2 ILE A 53 -1.484 -2.140 -4.884 1.00 0.00 C ATOM 757 CD1 ILE A 53 -0.192 -1.100 -2.104 1.00 0.00 C ATOM 0 H ILE A 53 -3.751 -2.777 -1.588 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.936 -1.130 -4.002 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.775 -3.006 -2.957 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.526 -0.030 -3.379 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.268 -0.647 -1.916 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.396 -2.160 -4.815 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.831 -3.033 -5.404 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.796 -1.254 -5.436 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.112 -0.200 -1.570 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.226 -1.939 -1.410 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.527 -1.313 -2.895 1.00 0.00 H new ATOM 769 N ILE A 54 -4.516 -2.907 -5.651 1.00 0.00 N ATOM 770 CA ILE A 54 -4.995 -3.918 -6.585 1.00 0.00 C ATOM 771 C ILE A 54 -3.923 -4.271 -7.611 1.00 0.00 C ATOM 772 O ILE A 54 -3.611 -5.443 -7.820 1.00 0.00 O ATOM 773 CB ILE A 54 -6.261 -3.446 -7.325 1.00 0.00 C ATOM 774 CG1 ILE A 54 -7.347 -3.052 -6.321 1.00 0.00 C ATOM 775 CG2 ILE A 54 -6.766 -4.536 -8.258 1.00 0.00 C ATOM 776 CD1 ILE A 54 -8.609 -2.528 -6.971 1.00 0.00 C ATOM 0 H ILE A 54 -4.533 -1.954 -6.015 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.236 -4.803 -5.996 1.00 0.00 H new ATOM 0 HB ILE A 54 -6.010 -2.570 -7.923 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -7.596 -3.919 -5.709 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -6.951 -2.290 -5.649 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.661 -4.188 -8.774 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.995 -4.774 -8.990 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.005 -5.428 -7.679 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -9.335 -2.268 -6.200 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -8.374 -1.642 -7.561 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -9.029 -3.296 -7.621 1.00 0.00 H new ATOM 788 N LYS A 55 -3.361 -3.249 -8.247 1.00 0.00 N ATOM 789 CA LYS A 55 -2.321 -3.449 -9.249 1.00 0.00 C ATOM 790 C LYS A 55 -1.108 -2.572 -8.956 1.00 0.00 C ATOM 791 O LYS A 55 -1.217 -1.549 -8.281 1.00 0.00 O ATOM 792 CB LYS A 55 -2.863 -3.140 -10.646 1.00 0.00 C ATOM 793 CG LYS A 55 -2.003 -3.693 -11.769 1.00 0.00 C ATOM 794 CD LYS A 55 -2.721 -3.626 -13.106 1.00 0.00 C ATOM 795 CE LYS A 55 -2.531 -2.272 -13.773 1.00 0.00 C ATOM 796 NZ LYS A 55 -3.555 -1.286 -13.328 1.00 0.00 N ATOM 0 H LYS A 55 -3.609 -2.273 -8.086 1.00 0.00 H new ATOM 0 HA LYS A 55 -2.010 -4.493 -9.211 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.869 -3.550 -10.735 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -2.947 -2.060 -10.763 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -1.072 -3.130 -11.827 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.737 -4.727 -11.549 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -2.346 -4.412 -13.762 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -3.784 -3.814 -12.959 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -1.536 -1.891 -13.544 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -2.586 -2.389 -14.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -4.112 -0.971 -14.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -4.186 -1.731 -12.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -3.083 -0.467 -12.895 1.00 0.00 H new ATOM 810 N VAL A 56 0.049 -2.979 -9.470 1.00 0.00 N ATOM 811 CA VAL A 56 1.282 -2.229 -9.267 1.00 0.00 C ATOM 812 C VAL A 56 2.157 -2.261 -10.515 1.00 0.00 C ATOM 813 O VAL A 56 2.754 -3.286 -10.840 1.00 0.00 O ATOM 814 CB VAL A 56 2.086 -2.782 -8.075 1.00 0.00 C ATOM 815 CG1 VAL A 56 3.436 -2.089 -7.973 1.00 0.00 C ATOM 816 CG2 VAL A 56 1.298 -2.626 -6.783 1.00 0.00 C ATOM 0 H VAL A 56 0.157 -3.824 -10.030 1.00 0.00 H new ATOM 0 HA VAL A 56 0.994 -1.199 -9.055 1.00 0.00 H new ATOM 0 HB VAL A 56 2.262 -3.845 -8.240 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.989 -2.493 -7.125 1.00 0.00 H new ATOM 0 HG12 VAL A 56 4.002 -2.258 -8.889 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.286 -1.019 -7.831 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.881 -3.022 -5.951 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.089 -1.570 -6.610 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.359 -3.174 -6.861 1.00 0.00 H new ATOM 826 N ASN A 57 2.229 -1.130 -11.210 1.00 0.00 N ATOM 827 CA ASN A 57 3.032 -1.028 -12.423 1.00 0.00 C ATOM 828 C ASN A 57 2.588 -2.059 -13.457 1.00 0.00 C ATOM 829 O ASN A 57 3.397 -2.557 -14.239 1.00 0.00 O ATOM 830 CB ASN A 57 4.514 -1.223 -12.096 1.00 0.00 C ATOM 831 CG ASN A 57 5.078 -0.084 -11.268 1.00 0.00 C ATOM 832 OD1 ASN A 57 5.350 -0.244 -10.078 1.00 0.00 O ATOM 833 ND2 ASN A 57 5.255 1.072 -11.896 1.00 0.00 N ATOM 0 H ASN A 57 1.741 -0.272 -10.954 1.00 0.00 H new ATOM 0 HA ASN A 57 2.887 -0.033 -12.843 1.00 0.00 H new ATOM 0 HB2 ASN A 57 4.644 -2.161 -11.555 1.00 0.00 H new ATOM 0 HB3 ASN A 57 5.080 -1.309 -13.024 1.00 0.00 H new ATOM 0 HD21 ASN A 57 5.631 1.874 -11.391 1.00 0.00 H new ATOM 0 HD22 ASN A 57 5.015 1.158 -12.884 1.00 0.00 H new ATOM 840 N GLY A 58 1.296 -2.373 -13.454 1.00 0.00 N ATOM 841 CA GLY A 58 0.767 -3.342 -14.396 1.00 0.00 C ATOM 842 C GLY A 58 0.727 -4.745 -13.824 1.00 0.00 C ATOM 843 O GLY A 58 0.122 -5.645 -14.407 1.00 0.00 O ATOM 0 H GLY A 58 0.607 -1.974 -12.817 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -0.239 -3.045 -14.692 1.00 0.00 H new ATOM 0 HA3 GLY A 58 1.379 -3.338 -15.298 1.00 0.00 H new ATOM 847 N THR A 59 1.376 -4.934 -12.679 1.00 0.00 N ATOM 848 CA THR A 59 1.415 -6.238 -12.030 1.00 0.00 C ATOM 849 C THR A 59 0.372 -6.333 -10.923 1.00 0.00 C ATOM 850 O THR A 59 0.492 -5.681 -9.886 1.00 0.00 O ATOM 851 CB THR A 59 2.806 -6.528 -11.435 1.00 0.00 C ATOM 852 OG1 THR A 59 3.811 -6.385 -12.445 1.00 0.00 O ATOM 853 CG2 THR A 59 2.864 -7.931 -10.851 1.00 0.00 C ATOM 0 H THR A 59 1.882 -4.200 -12.183 1.00 0.00 H new ATOM 0 HA THR A 59 1.194 -6.979 -12.798 1.00 0.00 H new ATOM 0 HB THR A 59 2.990 -5.811 -10.635 1.00 0.00 H new ATOM 0 HG1 THR A 59 4.692 -6.569 -12.058 1.00 0.00 H new ATOM 0 HG21 THR A 59 3.856 -8.112 -10.437 1.00 0.00 H new ATOM 0 HG22 THR A 59 2.118 -8.028 -10.062 1.00 0.00 H new ATOM 0 HG23 THR A 59 2.659 -8.660 -11.635 1.00 0.00 H new ATOM 861 N MET A 60 -0.652 -7.149 -11.149 1.00 0.00 N ATOM 862 CA MET A 60 -1.716 -7.330 -10.169 1.00 0.00 C ATOM 863 C MET A 60 -1.175 -7.960 -8.889 1.00 0.00 C ATOM 864 O MET A 60 -0.393 -8.909 -8.935 1.00 0.00 O ATOM 865 CB MET A 60 -2.831 -8.203 -10.749 1.00 0.00 C ATOM 866 CG MET A 60 -3.612 -7.530 -11.866 1.00 0.00 C ATOM 867 SD MET A 60 -4.999 -6.555 -11.253 1.00 0.00 S ATOM 868 CE MET A 60 -6.334 -7.195 -12.260 1.00 0.00 C ATOM 0 H MET A 60 -0.767 -7.695 -12.002 1.00 0.00 H new ATOM 0 HA MET A 60 -2.123 -6.348 -9.926 1.00 0.00 H new ATOM 0 HB2 MET A 60 -2.397 -9.129 -11.127 1.00 0.00 H new ATOM 0 HB3 MET A 60 -3.519 -8.477 -9.950 1.00 0.00 H new ATOM 0 HG2 MET A 60 -2.942 -6.885 -12.435 1.00 0.00 H new ATOM 0 HG3 MET A 60 -3.983 -8.290 -12.554 1.00 0.00 H new ATOM 0 HE1 MET A 60 -7.263 -6.688 -11.998 1.00 0.00 H new ATOM 0 HE2 MET A 60 -6.111 -7.022 -13.313 1.00 0.00 H new ATOM 0 HE3 MET A 60 -6.442 -8.265 -12.084 1.00 0.00 H new ATOM 878 N VAL A 61 -1.597 -7.425 -7.748 1.00 0.00 N ATOM 879 CA VAL A 61 -1.155 -7.935 -6.455 1.00 0.00 C ATOM 880 C VAL A 61 -2.343 -8.291 -5.569 1.00 0.00 C ATOM 881 O VAL A 61 -2.234 -8.313 -4.343 1.00 0.00 O ATOM 882 CB VAL A 61 -0.270 -6.911 -5.720 1.00 0.00 C ATOM 883 CG1 VAL A 61 1.056 -6.733 -6.445 1.00 0.00 C ATOM 884 CG2 VAL A 61 -0.996 -5.580 -5.585 1.00 0.00 C ATOM 0 H VAL A 61 -2.244 -6.639 -7.692 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.571 -8.834 -6.653 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.061 -7.289 -4.719 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.668 -6.006 -5.911 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.580 -7.688 -6.485 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.872 -6.377 -7.459 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.356 -4.868 -5.063 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.236 -5.194 -6.576 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.916 -5.723 -5.019 1.00 0.00 H new ATOM 894 N THR A 62 -3.480 -8.572 -6.199 1.00 0.00 N ATOM 895 CA THR A 62 -4.691 -8.927 -5.469 1.00 0.00 C ATOM 896 C THR A 62 -4.448 -10.119 -4.550 1.00 0.00 C ATOM 897 O THR A 62 -4.879 -10.123 -3.397 1.00 0.00 O ATOM 898 CB THR A 62 -5.848 -9.260 -6.428 1.00 0.00 C ATOM 899 OG1 THR A 62 -5.390 -10.139 -7.462 1.00 0.00 O ATOM 900 CG2 THR A 62 -6.419 -7.994 -7.048 1.00 0.00 C ATOM 0 H THR A 62 -3.587 -8.561 -7.213 1.00 0.00 H new ATOM 0 HA THR A 62 -4.965 -8.059 -4.870 1.00 0.00 H new ATOM 0 HB THR A 62 -6.635 -9.752 -5.856 1.00 0.00 H new ATOM 0 HG1 THR A 62 -6.132 -10.347 -8.067 1.00 0.00 H new ATOM 0 HG21 THR A 62 -7.235 -8.255 -7.722 1.00 0.00 H new ATOM 0 HG22 THR A 62 -6.794 -7.340 -6.260 1.00 0.00 H new ATOM 0 HG23 THR A 62 -5.638 -7.478 -7.607 1.00 0.00 H new ATOM 908 N ASN A 63 -3.756 -11.128 -5.067 1.00 0.00 N ATOM 909 CA ASN A 63 -3.456 -12.327 -4.292 1.00 0.00 C ATOM 910 C ASN A 63 -1.962 -12.634 -4.321 1.00 0.00 C ATOM 911 O ASN A 63 -1.554 -13.755 -4.624 1.00 0.00 O ATOM 912 CB ASN A 63 -4.244 -13.520 -4.834 1.00 0.00 C ATOM 913 CG ASN A 63 -5.733 -13.243 -4.912 1.00 0.00 C ATOM 914 OD1 ASN A 63 -6.339 -12.771 -3.949 1.00 0.00 O ATOM 915 ND2 ASN A 63 -6.330 -13.536 -6.061 1.00 0.00 N ATOM 0 H ASN A 63 -3.392 -11.140 -6.020 1.00 0.00 H new ATOM 0 HA ASN A 63 -3.751 -12.145 -3.259 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -3.873 -13.777 -5.826 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -4.071 -14.386 -4.195 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -7.330 -13.371 -6.172 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -5.788 -13.926 -6.832 1.00 0.00 H new ATOM 922 N SER A 64 -1.150 -11.630 -4.003 1.00 0.00 N ATOM 923 CA SER A 64 0.299 -11.792 -3.996 1.00 0.00 C ATOM 924 C SER A 64 0.860 -11.600 -2.590 1.00 0.00 C ATOM 925 O SER A 64 0.285 -10.881 -1.773 1.00 0.00 O ATOM 926 CB SER A 64 0.949 -10.794 -4.957 1.00 0.00 C ATOM 927 OG SER A 64 0.461 -9.482 -4.738 1.00 0.00 O ATOM 0 H SER A 64 -1.471 -10.696 -3.747 1.00 0.00 H new ATOM 0 HA SER A 64 0.529 -12.805 -4.325 1.00 0.00 H new ATOM 0 HB2 SER A 64 2.031 -10.809 -4.825 1.00 0.00 H new ATOM 0 HB3 SER A 64 0.749 -11.093 -5.986 1.00 0.00 H new ATOM 0 HG SER A 64 0.918 -9.087 -3.966 1.00 0.00 H new ATOM 933 N SER A 65 1.987 -12.249 -2.316 1.00 0.00 N ATOM 934 CA SER A 65 2.625 -12.154 -1.009 1.00 0.00 C ATOM 935 C SER A 65 3.478 -10.892 -0.910 1.00 0.00 C ATOM 936 O SER A 65 4.257 -10.583 -1.813 1.00 0.00 O ATOM 937 CB SER A 65 3.490 -13.389 -0.749 1.00 0.00 C ATOM 938 OG SER A 65 4.640 -13.389 -1.577 1.00 0.00 O ATOM 0 H SER A 65 2.477 -12.846 -2.982 1.00 0.00 H new ATOM 0 HA SER A 65 1.841 -12.102 -0.253 1.00 0.00 H new ATOM 0 HB2 SER A 65 3.792 -13.412 0.298 1.00 0.00 H new ATOM 0 HB3 SER A 65 2.906 -14.291 -0.932 1.00 0.00 H new ATOM 0 HG SER A 65 5.177 -14.187 -1.391 1.00 0.00 H new ATOM 944 N HIS A 66 3.324 -10.166 0.193 1.00 0.00 N ATOM 945 CA HIS A 66 4.079 -8.938 0.411 1.00 0.00 C ATOM 946 C HIS A 66 5.520 -9.094 -0.066 1.00 0.00 C ATOM 947 O HIS A 66 6.018 -8.284 -0.849 1.00 0.00 O ATOM 948 CB HIS A 66 4.058 -8.557 1.891 1.00 0.00 C ATOM 949 CG HIS A 66 4.968 -7.417 2.230 1.00 0.00 C ATOM 950 ND1 HIS A 66 5.700 -7.359 3.397 1.00 0.00 N ATOM 951 CD2 HIS A 66 5.264 -6.287 1.545 1.00 0.00 C ATOM 952 CE1 HIS A 66 6.406 -6.243 3.417 1.00 0.00 C ATOM 953 NE2 HIS A 66 6.160 -5.574 2.304 1.00 0.00 N ATOM 0 H HIS A 66 2.683 -10.407 0.949 1.00 0.00 H new ATOM 0 HA HIS A 66 3.607 -8.144 -0.167 1.00 0.00 H new ATOM 0 HB2 HIS A 66 3.039 -8.294 2.175 1.00 0.00 H new ATOM 0 HB3 HIS A 66 4.341 -9.426 2.485 1.00 0.00 H new ATOM 0 HD2 HIS A 66 4.869 -6.000 0.582 1.00 0.00 H new ATOM 0 HE1 HIS A 66 7.071 -5.930 4.208 1.00 0.00 H new ATOM 0 HE2 HIS A 66 6.569 -4.675 2.050 1.00 0.00 H new ATOM 962 N LEU A 67 6.186 -10.140 0.412 1.00 0.00 N ATOM 963 CA LEU A 67 7.571 -10.403 0.036 1.00 0.00 C ATOM 964 C LEU A 67 7.797 -10.112 -1.444 1.00 0.00 C ATOM 965 O LEU A 67 8.617 -9.267 -1.802 1.00 0.00 O ATOM 966 CB LEU A 67 7.937 -11.855 0.344 1.00 0.00 C ATOM 967 CG LEU A 67 8.426 -12.137 1.765 1.00 0.00 C ATOM 968 CD1 LEU A 67 8.305 -13.618 2.088 1.00 0.00 C ATOM 969 CD2 LEU A 67 9.863 -11.667 1.938 1.00 0.00 C ATOM 0 H LEU A 67 5.789 -10.820 1.061 1.00 0.00 H new ATOM 0 HA LEU A 67 8.212 -9.742 0.620 1.00 0.00 H new ATOM 0 HB2 LEU A 67 7.063 -12.478 0.152 1.00 0.00 H new ATOM 0 HB3 LEU A 67 8.712 -12.169 -0.355 1.00 0.00 H new ATOM 0 HG LEU A 67 7.797 -11.582 2.461 1.00 0.00 H new ATOM 0 HD11 LEU A 67 8.658 -13.799 3.103 1.00 0.00 H new ATOM 0 HD12 LEU A 67 7.262 -13.924 2.006 1.00 0.00 H new ATOM 0 HD13 LEU A 67 8.908 -14.194 1.386 1.00 0.00 H new ATOM 0 HD21 LEU A 67 10.194 -11.876 2.955 1.00 0.00 H new ATOM 0 HD22 LEU A 67 10.505 -12.193 1.232 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.920 -10.595 1.751 1.00 0.00 H new ATOM 981 N GLU A 68 7.063 -10.817 -2.300 1.00 0.00 N ATOM 982 CA GLU A 68 7.184 -10.634 -3.741 1.00 0.00 C ATOM 983 C GLU A 68 6.877 -9.191 -4.133 1.00 0.00 C ATOM 984 O GLU A 68 7.554 -8.609 -4.981 1.00 0.00 O ATOM 985 CB GLU A 68 6.241 -11.586 -4.480 1.00 0.00 C ATOM 986 CG GLU A 68 6.853 -12.946 -4.768 1.00 0.00 C ATOM 987 CD GLU A 68 7.892 -12.896 -5.871 1.00 0.00 C ATOM 988 OE1 GLU A 68 7.564 -12.407 -6.973 1.00 0.00 O ATOM 989 OE2 GLU A 68 9.033 -13.345 -5.634 1.00 0.00 O ATOM 0 H GLU A 68 6.379 -11.520 -2.020 1.00 0.00 H new ATOM 0 HA GLU A 68 8.212 -10.860 -4.025 1.00 0.00 H new ATOM 0 HB2 GLU A 68 5.337 -11.722 -3.886 1.00 0.00 H new ATOM 0 HB3 GLU A 68 5.938 -11.126 -5.421 1.00 0.00 H new ATOM 0 HG2 GLU A 68 7.312 -13.334 -3.859 1.00 0.00 H new ATOM 0 HG3 GLU A 68 6.064 -13.643 -5.049 1.00 0.00 H new ATOM 996 N VAL A 69 5.851 -8.620 -3.510 1.00 0.00 N ATOM 997 CA VAL A 69 5.454 -7.246 -3.792 1.00 0.00 C ATOM 998 C VAL A 69 6.628 -6.289 -3.624 1.00 0.00 C ATOM 999 O VAL A 69 6.851 -5.409 -4.456 1.00 0.00 O ATOM 1000 CB VAL A 69 4.302 -6.794 -2.874 1.00 0.00 C ATOM 1001 CG1 VAL A 69 3.933 -5.346 -3.154 1.00 0.00 C ATOM 1002 CG2 VAL A 69 3.096 -7.704 -3.047 1.00 0.00 C ATOM 0 H VAL A 69 5.280 -9.088 -2.807 1.00 0.00 H new ATOM 0 HA VAL A 69 5.114 -7.222 -4.827 1.00 0.00 H new ATOM 0 HB VAL A 69 4.636 -6.864 -1.839 1.00 0.00 H new ATOM 0 HG11 VAL A 69 3.118 -5.045 -2.496 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.799 -4.709 -2.974 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.618 -5.245 -4.192 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.292 -7.371 -2.391 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.758 -7.668 -4.083 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.372 -8.727 -2.791 1.00 0.00 H new ATOM 1012 N VAL A 70 7.379 -6.466 -2.541 1.00 0.00 N ATOM 1013 CA VAL A 70 8.533 -5.619 -2.264 1.00 0.00 C ATOM 1014 C VAL A 70 9.373 -5.406 -3.519 1.00 0.00 C ATOM 1015 O VAL A 70 9.633 -4.272 -3.920 1.00 0.00 O ATOM 1016 CB VAL A 70 9.422 -6.225 -1.161 1.00 0.00 C ATOM 1017 CG1 VAL A 70 10.646 -5.354 -0.923 1.00 0.00 C ATOM 1018 CG2 VAL A 70 8.627 -6.406 0.123 1.00 0.00 C ATOM 0 H VAL A 70 7.209 -7.188 -1.841 1.00 0.00 H new ATOM 0 HA VAL A 70 8.146 -4.659 -1.922 1.00 0.00 H new ATOM 0 HB VAL A 70 9.764 -7.206 -1.491 1.00 0.00 H new ATOM 0 HG11 VAL A 70 11.262 -5.798 -0.141 1.00 0.00 H new ATOM 0 HG12 VAL A 70 11.225 -5.281 -1.843 1.00 0.00 H new ATOM 0 HG13 VAL A 70 10.329 -4.358 -0.614 1.00 0.00 H new ATOM 0 HG21 VAL A 70 9.270 -6.835 0.892 1.00 0.00 H new ATOM 0 HG22 VAL A 70 8.255 -5.439 0.460 1.00 0.00 H new ATOM 0 HG23 VAL A 70 7.786 -7.074 -0.061 1.00 0.00 H new ATOM 1028 N LYS A 71 9.793 -6.505 -4.136 1.00 0.00 N ATOM 1029 CA LYS A 71 10.603 -6.441 -5.347 1.00 0.00 C ATOM 1030 C LYS A 71 9.949 -5.540 -6.390 1.00 0.00 C ATOM 1031 O LYS A 71 10.623 -4.749 -7.051 1.00 0.00 O ATOM 1032 CB LYS A 71 10.807 -7.843 -5.924 1.00 0.00 C ATOM 1033 CG LYS A 71 11.508 -8.797 -4.971 1.00 0.00 C ATOM 1034 CD LYS A 71 11.702 -10.168 -5.597 1.00 0.00 C ATOM 1035 CE LYS A 71 13.016 -10.252 -6.359 1.00 0.00 C ATOM 1036 NZ LYS A 71 12.865 -9.816 -7.775 1.00 0.00 N ATOM 0 H LYS A 71 9.586 -7.451 -3.817 1.00 0.00 H new ATOM 0 HA LYS A 71 11.573 -6.019 -5.084 1.00 0.00 H new ATOM 0 HB2 LYS A 71 9.837 -8.260 -6.194 1.00 0.00 H new ATOM 0 HB3 LYS A 71 11.389 -7.768 -6.843 1.00 0.00 H new ATOM 0 HG2 LYS A 71 12.477 -8.384 -4.689 1.00 0.00 H new ATOM 0 HG3 LYS A 71 10.924 -8.893 -4.056 1.00 0.00 H new ATOM 0 HD2 LYS A 71 11.682 -10.931 -4.819 1.00 0.00 H new ATOM 0 HD3 LYS A 71 10.874 -10.381 -6.273 1.00 0.00 H new ATOM 0 HE2 LYS A 71 13.763 -9.630 -5.865 1.00 0.00 H new ATOM 0 HE3 LYS A 71 13.387 -11.277 -6.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 13.572 -10.300 -8.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 11.911 -10.055 -8.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 13.007 -8.788 -7.839 1.00 0.00 H new ATOM 1050 N LEU A 72 8.635 -5.665 -6.533 1.00 0.00 N ATOM 1051 CA LEU A 72 7.890 -4.861 -7.495 1.00 0.00 C ATOM 1052 C LEU A 72 8.090 -3.372 -7.232 1.00 0.00 C ATOM 1053 O LEU A 72 8.343 -2.597 -8.155 1.00 0.00 O ATOM 1054 CB LEU A 72 6.400 -5.206 -7.433 1.00 0.00 C ATOM 1055 CG LEU A 72 6.041 -6.673 -7.670 1.00 0.00 C ATOM 1056 CD1 LEU A 72 4.620 -6.956 -7.207 1.00 0.00 C ATOM 1057 CD2 LEU A 72 6.206 -7.033 -9.139 1.00 0.00 C ATOM 0 H LEU A 72 8.063 -6.316 -5.995 1.00 0.00 H new ATOM 0 HA LEU A 72 8.269 -5.089 -8.491 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.020 -4.913 -6.454 1.00 0.00 H new ATOM 0 HB3 LEU A 72 5.876 -4.600 -8.172 1.00 0.00 H new ATOM 0 HG LEU A 72 6.722 -7.292 -7.086 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.382 -8.005 -7.383 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.534 -6.739 -6.142 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.924 -6.328 -7.763 1.00 0.00 H new ATOM 0 HD21 LEU A 72 5.946 -8.081 -9.288 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.550 -6.407 -9.743 1.00 0.00 H new ATOM 0 HD23 LEU A 72 7.241 -6.870 -9.440 1.00 0.00 H new ATOM 1069 N ILE A 73 7.976 -2.980 -5.967 1.00 0.00 N ATOM 1070 CA ILE A 73 8.148 -1.584 -5.583 1.00 0.00 C ATOM 1071 C ILE A 73 9.594 -1.136 -5.771 1.00 0.00 C ATOM 1072 O ILE A 73 9.884 0.059 -5.814 1.00 0.00 O ATOM 1073 CB ILE A 73 7.736 -1.350 -4.117 1.00 0.00 C ATOM 1074 CG1 ILE A 73 6.257 -1.685 -3.920 1.00 0.00 C ATOM 1075 CG2 ILE A 73 8.017 0.090 -3.712 1.00 0.00 C ATOM 1076 CD1 ILE A 73 5.916 -2.110 -2.509 1.00 0.00 C ATOM 0 H ILE A 73 7.766 -3.609 -5.192 1.00 0.00 H new ATOM 0 HA ILE A 73 7.501 -0.995 -6.233 1.00 0.00 H new ATOM 0 HB ILE A 73 8.326 -2.009 -3.480 1.00 0.00 H new ATOM 0 HG12 ILE A 73 5.657 -0.814 -4.183 1.00 0.00 H new ATOM 0 HG13 ILE A 73 5.979 -2.483 -4.608 1.00 0.00 H new ATOM 0 HG21 ILE A 73 7.721 0.240 -2.674 1.00 0.00 H new ATOM 0 HG22 ILE A 73 9.082 0.297 -3.819 1.00 0.00 H new ATOM 0 HG23 ILE A 73 7.450 0.765 -4.353 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.851 -2.332 -2.443 1.00 0.00 H new ATOM 0 HD12 ILE A 73 6.489 -3.000 -2.249 1.00 0.00 H new ATOM 0 HD13 ILE A 73 6.162 -1.305 -1.817 1.00 0.00 H new ATOM 1088 N LYS A 74 10.497 -2.104 -5.885 1.00 0.00 N ATOM 1089 CA LYS A 74 11.913 -1.811 -6.072 1.00 0.00 C ATOM 1090 C LYS A 74 12.281 -1.825 -7.552 1.00 0.00 C ATOM 1091 O LYS A 74 13.311 -2.374 -7.941 1.00 0.00 O ATOM 1092 CB LYS A 74 12.770 -2.828 -5.313 1.00 0.00 C ATOM 1093 CG LYS A 74 12.348 -3.020 -3.867 1.00 0.00 C ATOM 1094 CD LYS A 74 13.094 -2.075 -2.939 1.00 0.00 C ATOM 1095 CE LYS A 74 12.345 -0.764 -2.759 1.00 0.00 C ATOM 1096 NZ LYS A 74 12.763 0.255 -3.762 1.00 0.00 N ATOM 0 H LYS A 74 10.273 -3.099 -5.851 1.00 0.00 H new ATOM 0 HA LYS A 74 12.107 -0.814 -5.677 1.00 0.00 H new ATOM 0 HB2 LYS A 74 12.721 -3.788 -5.827 1.00 0.00 H new ATOM 0 HB3 LYS A 74 13.811 -2.505 -5.339 1.00 0.00 H new ATOM 0 HG2 LYS A 74 11.275 -2.851 -3.774 1.00 0.00 H new ATOM 0 HG3 LYS A 74 12.535 -4.051 -3.566 1.00 0.00 H new ATOM 0 HD2 LYS A 74 13.234 -2.551 -1.969 1.00 0.00 H new ATOM 0 HD3 LYS A 74 14.087 -1.876 -3.342 1.00 0.00 H new ATOM 0 HE2 LYS A 74 11.273 -0.943 -2.848 1.00 0.00 H new ATOM 0 HE3 LYS A 74 12.522 -0.379 -1.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 13.181 1.072 -3.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 13.466 -0.160 -4.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 11.934 0.565 -4.308 1.00 0.00 H new ATOM 1110 N SER A 75 11.432 -1.214 -8.373 1.00 0.00 N ATOM 1111 CA SER A 75 11.667 -1.159 -9.811 1.00 0.00 C ATOM 1112 C SER A 75 11.852 0.283 -10.276 1.00 0.00 C ATOM 1113 O SER A 75 10.885 0.975 -10.591 1.00 0.00 O ATOM 1114 CB SER A 75 10.502 -1.803 -10.565 1.00 0.00 C ATOM 1115 OG SER A 75 10.551 -1.488 -11.946 1.00 0.00 O ATOM 0 H SER A 75 10.576 -0.751 -8.067 1.00 0.00 H new ATOM 0 HA SER A 75 12.581 -1.713 -10.026 1.00 0.00 H new ATOM 0 HB2 SER A 75 10.534 -2.885 -10.434 1.00 0.00 H new ATOM 0 HB3 SER A 75 9.558 -1.459 -10.144 1.00 0.00 H new ATOM 0 HG SER A 75 9.797 -1.913 -12.405 1.00 0.00 H new ATOM 1121 N GLY A 76 13.104 0.729 -10.315 1.00 0.00 N ATOM 1122 CA GLY A 76 13.396 2.085 -10.741 1.00 0.00 C ATOM 1123 C GLY A 76 13.552 3.039 -9.574 1.00 0.00 C ATOM 1124 O GLY A 76 14.382 2.819 -8.691 1.00 0.00 O ATOM 0 H GLY A 76 13.921 0.175 -10.059 1.00 0.00 H new ATOM 0 HA2 GLY A 76 14.311 2.087 -11.333 1.00 0.00 H new ATOM 0 HA3 GLY A 76 12.595 2.439 -11.391 1.00 0.00 H new ATOM 1128 N ALA A 77 12.755 4.102 -9.569 1.00 0.00 N ATOM 1129 CA ALA A 77 12.810 5.093 -8.501 1.00 0.00 C ATOM 1130 C ALA A 77 11.464 5.210 -7.792 1.00 0.00 C ATOM 1131 O ALA A 77 11.405 5.324 -6.568 1.00 0.00 O ATOM 1132 CB ALA A 77 13.235 6.444 -9.056 1.00 0.00 C ATOM 0 H ALA A 77 12.063 4.299 -10.292 1.00 0.00 H new ATOM 0 HA ALA A 77 13.549 4.764 -7.771 1.00 0.00 H new ATOM 0 HB1 ALA A 77 13.272 7.174 -8.248 1.00 0.00 H new ATOM 0 HB2 ALA A 77 14.222 6.356 -9.511 1.00 0.00 H new ATOM 0 HB3 ALA A 77 12.517 6.771 -9.808 1.00 0.00 H new ATOM 1138 N TYR A 78 10.387 5.181 -8.569 1.00 0.00 N ATOM 1139 CA TYR A 78 9.043 5.287 -8.015 1.00 0.00 C ATOM 1140 C TYR A 78 8.237 4.023 -8.296 1.00 0.00 C ATOM 1141 O TYR A 78 8.739 3.073 -8.896 1.00 0.00 O ATOM 1142 CB TYR A 78 8.323 6.505 -8.599 1.00 0.00 C ATOM 1143 CG TYR A 78 8.589 6.718 -10.072 1.00 0.00 C ATOM 1144 CD1 TYR A 78 7.849 6.045 -11.036 1.00 0.00 C ATOM 1145 CD2 TYR A 78 9.582 7.590 -10.499 1.00 0.00 C ATOM 1146 CE1 TYR A 78 8.089 6.235 -12.383 1.00 0.00 C ATOM 1147 CE2 TYR A 78 9.828 7.788 -11.844 1.00 0.00 C ATOM 1148 CZ TYR A 78 9.080 7.108 -12.782 1.00 0.00 C ATOM 1149 OH TYR A 78 9.323 7.302 -14.122 1.00 0.00 O ATOM 0 H TYR A 78 10.419 5.085 -9.584 1.00 0.00 H new ATOM 0 HA TYR A 78 9.131 5.408 -6.935 1.00 0.00 H new ATOM 0 HB2 TYR A 78 7.250 6.390 -8.445 1.00 0.00 H new ATOM 0 HB3 TYR A 78 8.630 7.395 -8.051 1.00 0.00 H new ATOM 0 HD1 TYR A 78 7.072 5.361 -10.727 1.00 0.00 H new ATOM 0 HD2 TYR A 78 10.172 8.122 -9.767 1.00 0.00 H new ATOM 0 HE1 TYR A 78 7.504 5.703 -13.119 1.00 0.00 H new ATOM 0 HE2 TYR A 78 10.602 8.472 -12.159 1.00 0.00 H new ATOM 0 HH TYR A 78 10.051 7.948 -14.232 1.00 0.00 H new ATOM 1159 N VAL A 79 6.982 4.020 -7.858 1.00 0.00 N ATOM 1160 CA VAL A 79 6.103 2.874 -8.063 1.00 0.00 C ATOM 1161 C VAL A 79 4.661 3.318 -8.275 1.00 0.00 C ATOM 1162 O VAL A 79 4.147 4.165 -7.544 1.00 0.00 O ATOM 1163 CB VAL A 79 6.159 1.903 -6.868 1.00 0.00 C ATOM 1164 CG1 VAL A 79 5.624 2.572 -5.611 1.00 0.00 C ATOM 1165 CG2 VAL A 79 5.383 0.632 -7.178 1.00 0.00 C ATOM 0 H VAL A 79 6.551 4.798 -7.359 1.00 0.00 H new ATOM 0 HA VAL A 79 6.457 2.360 -8.957 1.00 0.00 H new ATOM 0 HB VAL A 79 7.200 1.631 -6.691 1.00 0.00 H new ATOM 0 HG11 VAL A 79 5.671 1.871 -4.778 1.00 0.00 H new ATOM 0 HG12 VAL A 79 6.227 3.450 -5.381 1.00 0.00 H new ATOM 0 HG13 VAL A 79 4.589 2.875 -5.772 1.00 0.00 H new ATOM 0 HG21 VAL A 79 5.433 -0.043 -6.323 1.00 0.00 H new ATOM 0 HG22 VAL A 79 4.342 0.882 -7.382 1.00 0.00 H new ATOM 0 HG23 VAL A 79 5.817 0.144 -8.051 1.00 0.00 H new ATOM 1175 N ALA A 80 4.011 2.741 -9.281 1.00 0.00 N ATOM 1176 CA ALA A 80 2.626 3.076 -9.588 1.00 0.00 C ATOM 1177 C ALA A 80 1.666 2.072 -8.959 1.00 0.00 C ATOM 1178 O ALA A 80 1.655 0.895 -9.324 1.00 0.00 O ATOM 1179 CB ALA A 80 2.419 3.135 -11.094 1.00 0.00 C ATOM 0 H ALA A 80 4.422 2.039 -9.897 1.00 0.00 H new ATOM 0 HA ALA A 80 2.413 4.057 -9.164 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.380 3.386 -11.309 1.00 0.00 H new ATOM 0 HB2 ALA A 80 3.072 3.896 -11.522 1.00 0.00 H new ATOM 0 HB3 ALA A 80 2.656 2.165 -11.532 1.00 0.00 H new ATOM 1185 N LEU A 81 0.862 2.542 -8.012 1.00 0.00 N ATOM 1186 CA LEU A 81 -0.102 1.685 -7.331 1.00 0.00 C ATOM 1187 C LEU A 81 -1.530 2.064 -7.709 1.00 0.00 C ATOM 1188 O LEU A 81 -1.807 3.210 -8.065 1.00 0.00 O ATOM 1189 CB LEU A 81 0.080 1.782 -5.816 1.00 0.00 C ATOM 1190 CG LEU A 81 1.517 1.674 -5.304 1.00 0.00 C ATOM 1191 CD1 LEU A 81 1.687 2.471 -4.020 1.00 0.00 C ATOM 1192 CD2 LEU A 81 1.897 0.217 -5.084 1.00 0.00 C ATOM 0 H LEU A 81 0.858 3.512 -7.698 1.00 0.00 H new ATOM 0 HA LEU A 81 0.077 0.657 -7.647 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.333 2.733 -5.481 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.511 0.995 -5.348 1.00 0.00 H new ATOM 0 HG LEU A 81 2.184 2.092 -6.058 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.716 2.383 -3.670 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.457 3.519 -4.209 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.010 2.083 -3.259 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.923 0.160 -4.720 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.226 -0.227 -4.349 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.815 -0.326 -6.025 1.00 0.00 H new ATOM 1204 N THR A 82 -2.436 1.095 -7.627 1.00 0.00 N ATOM 1205 CA THR A 82 -3.836 1.327 -7.959 1.00 0.00 C ATOM 1206 C THR A 82 -4.718 1.230 -6.720 1.00 0.00 C ATOM 1207 O THR A 82 -5.110 0.138 -6.307 1.00 0.00 O ATOM 1208 CB THR A 82 -4.338 0.321 -9.012 1.00 0.00 C ATOM 1209 OG1 THR A 82 -3.438 0.286 -10.125 1.00 0.00 O ATOM 1210 CG2 THR A 82 -5.733 0.691 -9.493 1.00 0.00 C ATOM 0 H THR A 82 -2.225 0.141 -7.333 1.00 0.00 H new ATOM 0 HA THR A 82 -3.900 2.335 -8.370 1.00 0.00 H new ATOM 0 HB THR A 82 -4.380 -0.665 -8.549 1.00 0.00 H new ATOM 0 HG1 THR A 82 -3.944 0.383 -10.958 1.00 0.00 H new ATOM 0 HG21 THR A 82 -6.066 -0.034 -10.236 1.00 0.00 H new ATOM 0 HG22 THR A 82 -6.422 0.687 -8.648 1.00 0.00 H new ATOM 0 HG23 THR A 82 -5.712 1.685 -9.940 1.00 0.00 H new ATOM 1218 N LEU A 83 -5.028 2.379 -6.129 1.00 0.00 N ATOM 1219 CA LEU A 83 -5.866 2.425 -4.936 1.00 0.00 C ATOM 1220 C LEU A 83 -7.344 2.461 -5.309 1.00 0.00 C ATOM 1221 O LEU A 83 -7.717 2.984 -6.360 1.00 0.00 O ATOM 1222 CB LEU A 83 -5.512 3.647 -4.087 1.00 0.00 C ATOM 1223 CG LEU A 83 -4.021 3.907 -3.872 1.00 0.00 C ATOM 1224 CD1 LEU A 83 -3.794 5.318 -3.354 1.00 0.00 C ATOM 1225 CD2 LEU A 83 -3.434 2.883 -2.911 1.00 0.00 C ATOM 0 H LEU A 83 -4.711 3.291 -6.457 1.00 0.00 H new ATOM 0 HA LEU A 83 -5.679 1.521 -4.356 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -5.950 4.529 -4.555 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -5.985 3.536 -3.111 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.513 3.809 -4.831 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -2.727 5.484 -3.207 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -4.177 6.037 -4.078 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -4.315 5.445 -2.405 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -2.372 3.084 -2.770 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -3.947 2.949 -1.951 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -3.563 1.882 -3.323 1.00 0.00 H new ATOM 1237 N LEU A 84 -8.182 1.905 -4.441 1.00 0.00 N ATOM 1238 CA LEU A 84 -9.621 1.875 -4.678 1.00 0.00 C ATOM 1239 C LEU A 84 -10.344 2.862 -3.767 1.00 0.00 C ATOM 1240 O LEU A 84 -10.096 2.906 -2.562 1.00 0.00 O ATOM 1241 CB LEU A 84 -10.166 0.464 -4.454 1.00 0.00 C ATOM 1242 CG LEU A 84 -11.431 0.101 -5.233 1.00 0.00 C ATOM 1243 CD1 LEU A 84 -12.583 1.009 -4.832 1.00 0.00 C ATOM 1244 CD2 LEU A 84 -11.178 0.188 -6.731 1.00 0.00 C ATOM 0 H LEU A 84 -7.890 1.469 -3.567 1.00 0.00 H new ATOM 0 HA LEU A 84 -9.799 2.166 -5.713 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -9.385 -0.251 -4.714 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -10.370 0.340 -3.391 1.00 0.00 H new ATOM 0 HG LEU A 84 -11.703 -0.926 -4.990 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -13.475 0.736 -5.396 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -12.780 0.897 -3.766 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -12.321 2.045 -5.046 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -12.089 -0.074 -7.270 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -10.881 1.204 -6.992 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -10.382 -0.504 -7.006 1.00 0.00 H new ATOM 1256 N GLY A 85 -11.240 3.652 -4.350 1.00 0.00 N ATOM 1257 CA GLY A 85 -11.986 4.626 -3.575 1.00 0.00 C ATOM 1258 C GLY A 85 -13.278 4.059 -3.020 1.00 0.00 C ATOM 1259 O GLY A 85 -14.348 4.254 -3.597 1.00 0.00 O ATOM 0 H GLY A 85 -11.463 3.635 -5.345 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -11.366 4.983 -2.752 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -12.211 5.489 -4.202 1.00 0.00 H new ATOM 1263 N SER A 86 -13.179 3.352 -1.899 1.00 0.00 N ATOM 1264 CA SER A 86 -14.348 2.750 -1.269 1.00 0.00 C ATOM 1265 C SER A 86 -15.242 3.819 -0.648 1.00 0.00 C ATOM 1266 O SER A 86 -14.795 4.615 0.178 1.00 0.00 O ATOM 1267 CB SER A 86 -13.916 1.746 -0.199 1.00 0.00 C ATOM 1268 OG SER A 86 -13.433 2.408 0.957 1.00 0.00 O ATOM 0 H SER A 86 -12.301 3.182 -1.408 1.00 0.00 H new ATOM 0 HA SER A 86 -14.917 2.228 -2.039 1.00 0.00 H new ATOM 0 HB2 SER A 86 -14.759 1.110 0.068 1.00 0.00 H new ATOM 0 HB3 SER A 86 -13.140 1.094 -0.600 1.00 0.00 H new ATOM 0 HG SER A 86 -13.697 3.351 0.928 1.00 0.00 H new ATOM 1274 N SER A 87 -16.508 3.831 -1.053 1.00 0.00 N ATOM 1275 CA SER A 87 -17.466 4.804 -0.540 1.00 0.00 C ATOM 1276 C SER A 87 -18.297 4.205 0.591 1.00 0.00 C ATOM 1277 O SER A 87 -19.411 3.730 0.372 1.00 0.00 O ATOM 1278 CB SER A 87 -18.385 5.287 -1.663 1.00 0.00 C ATOM 1279 OG SER A 87 -17.716 6.206 -2.510 1.00 0.00 O ATOM 0 H SER A 87 -16.894 3.178 -1.735 1.00 0.00 H new ATOM 0 HA SER A 87 -16.908 5.653 -0.146 1.00 0.00 H new ATOM 0 HB2 SER A 87 -18.730 4.434 -2.247 1.00 0.00 H new ATOM 0 HB3 SER A 87 -19.270 5.759 -1.236 1.00 0.00 H new ATOM 0 HG SER A 87 -18.324 6.498 -3.221 1.00 0.00 H new ATOM 1285 N SER A 88 -17.745 4.230 1.800 1.00 0.00 N ATOM 1286 CA SER A 88 -18.432 3.687 2.965 1.00 0.00 C ATOM 1287 C SER A 88 -18.971 4.807 3.850 1.00 0.00 C ATOM 1288 O SER A 88 -18.207 5.548 4.467 1.00 0.00 O ATOM 1289 CB SER A 88 -17.486 2.795 3.771 1.00 0.00 C ATOM 1290 OG SER A 88 -17.088 1.662 3.019 1.00 0.00 O ATOM 0 H SER A 88 -16.824 4.621 1.998 1.00 0.00 H new ATOM 0 HA SER A 88 -19.273 3.089 2.614 1.00 0.00 H new ATOM 0 HB2 SER A 88 -16.606 3.366 4.067 1.00 0.00 H new ATOM 0 HB3 SER A 88 -17.979 2.472 4.688 1.00 0.00 H new ATOM 0 HG SER A 88 -16.483 1.109 3.556 1.00 0.00 H new ATOM 1296 N GLY A 89 -20.294 4.924 3.906 1.00 0.00 N ATOM 1297 CA GLY A 89 -20.914 5.956 4.717 1.00 0.00 C ATOM 1298 C GLY A 89 -21.903 6.795 3.932 1.00 0.00 C ATOM 1299 O GLY A 89 -21.729 7.043 2.738 1.00 0.00 O ATOM 0 H GLY A 89 -20.948 4.323 3.404 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -21.425 5.492 5.561 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -20.140 6.603 5.129 1.00 0.00 H new ATOM 1303 N PRO A 90 -22.970 7.245 4.607 1.00 0.00 N ATOM 1304 CA PRO A 90 -24.012 8.067 3.984 1.00 0.00 C ATOM 1305 C PRO A 90 -23.517 9.467 3.639 1.00 0.00 C ATOM 1306 O PRO A 90 -22.982 10.175 4.492 1.00 0.00 O ATOM 1307 CB PRO A 90 -25.100 8.134 5.059 1.00 0.00 C ATOM 1308 CG PRO A 90 -24.377 7.923 6.344 1.00 0.00 C ATOM 1309 CD PRO A 90 -23.242 6.988 6.032 1.00 0.00 C ATOM 0 HA PRO A 90 -24.353 7.646 3.038 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -25.611 9.097 5.046 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -25.859 7.368 4.902 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -24.006 8.867 6.743 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -25.038 7.496 7.098 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -22.369 7.195 6.651 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -23.518 5.948 6.207 1.00 0.00 H new ATOM 1317 N SER A 91 -23.700 9.861 2.383 1.00 0.00 N ATOM 1318 CA SER A 91 -23.269 11.176 1.924 1.00 0.00 C ATOM 1319 C SER A 91 -24.413 11.913 1.234 1.00 0.00 C ATOM 1320 O SER A 91 -25.392 11.301 0.807 1.00 0.00 O ATOM 1321 CB SER A 91 -22.083 11.042 0.967 1.00 0.00 C ATOM 1322 OG SER A 91 -21.281 12.211 0.982 1.00 0.00 O ATOM 0 H SER A 91 -24.144 9.288 1.665 1.00 0.00 H new ATOM 0 HA SER A 91 -22.961 11.754 2.795 1.00 0.00 H new ATOM 0 HB2 SER A 91 -21.479 10.179 1.249 1.00 0.00 H new ATOM 0 HB3 SER A 91 -22.446 10.859 -0.044 1.00 0.00 H new ATOM 0 HG SER A 91 -20.529 12.100 0.364 1.00 0.00 H new ATOM 1328 N SER A 92 -24.281 13.232 1.129 1.00 0.00 N ATOM 1329 CA SER A 92 -25.305 14.054 0.495 1.00 0.00 C ATOM 1330 C SER A 92 -25.348 13.804 -1.009 1.00 0.00 C ATOM 1331 O SER A 92 -24.428 14.173 -1.738 1.00 0.00 O ATOM 1332 CB SER A 92 -25.041 15.536 0.770 1.00 0.00 C ATOM 1333 OG SER A 92 -23.874 15.979 0.099 1.00 0.00 O ATOM 0 H SER A 92 -23.475 13.754 1.475 1.00 0.00 H new ATOM 0 HA SER A 92 -26.271 13.779 0.919 1.00 0.00 H new ATOM 0 HB2 SER A 92 -25.897 16.127 0.446 1.00 0.00 H new ATOM 0 HB3 SER A 92 -24.931 15.696 1.843 1.00 0.00 H new ATOM 0 HG SER A 92 -23.674 15.373 -0.645 1.00 0.00 H new ATOM 1339 N GLY A 93 -26.425 13.172 -1.468 1.00 0.00 N ATOM 1340 CA GLY A 93 -26.569 12.883 -2.882 1.00 0.00 C ATOM 1341 C GLY A 93 -25.697 11.726 -3.329 1.00 0.00 C ATOM 1342 O GLY A 93 -25.057 11.792 -4.379 1.00 0.00 O ATOM 0 H GLY A 93 -27.200 12.855 -0.885 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -27.612 12.652 -3.098 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -26.313 13.771 -3.459 1.00 0.00 H new TER 1346 GLY A 93