USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 757 hydrogens (27 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 53 MET CE :methyl -178:sc= -0.299 (180deg=-0.308) USER MOD Set 1.2: A 99 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 72 HIS : no HD1:sc= 1.28 K(o=1.3,f=-4.9!) USER MOD Set 2.2: A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 73 MET CE :methyl 166:sc=-0.00977 (180deg=-0.346) USER MOD Set 3.2: A 75 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 68 GLN : amide:sc= 0.877 K(o=0.76,f=-0.1) USER MOD Set 4.2: A 69 GLN : amide:sc= -0.119 X(o=0.76,f=0.79) USER MOD Set 5.1: A 59 TYR OH : rot 44:sc= 1.18 USER MOD Set 5.2: A 63 LYS NZ :NH3+ -157:sc= 0.971 (180deg=0.624) USER MOD Set 6.1: A 23 GLN : amide:sc= 0.717 K(o=0.39,f=1.5) USER MOD Set 6.2: A 25 ASN : amide:sc= -0.332 K(o=0.39,f=1.5) USER MOD Single : A 26 GLN : amide:sc= -0.25 X(o=-0.25,f=-0.21) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= 0.813 K(o=0.81,f=-2.8!) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 46 MET CE :methyl 172:sc= 0 (180deg=-0.0772) USER MOD Single : A 48 THR OG1 : rot -170:sc= 0.0885 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 1.08 K(o=1.1,f=-0.6) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -0.0108 X(o=-0.011,f=-0.0089) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 1.39 K(o=1.4,f=-0.04) USER MOD Single : A 76 CYS SG : rot 180:sc= -0.0155 USER MOD Single : A 88 GLN : amide:sc= -0.0314 X(o=-0.031,f=-0.0015) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0.357 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl 168:sc= -0.0108 (180deg=-0.0418) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -1.1 K(o=-1.1,f=-2.2) USER MOD Single : A 108 THR OG1 : rot 180:sc=-0.000753 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 23 6.953 16.632 12.824 1.00 0.00 N ATOM 2 CA GLN A 23 7.905 15.654 12.289 1.00 0.00 C ATOM 3 C GLN A 23 7.220 14.520 11.496 1.00 0.00 C ATOM 4 O GLN A 23 6.113 14.090 11.833 1.00 0.00 O ATOM 5 CB GLN A 23 8.811 15.121 13.418 1.00 0.00 C ATOM 6 CG GLN A 23 8.057 14.477 14.597 1.00 0.00 C ATOM 7 CD GLN A 23 9.015 13.895 15.634 1.00 0.00 C ATOM 8 OE1 GLN A 23 9.316 12.707 15.638 1.00 0.00 O ATOM 9 NE2 GLN A 23 9.544 14.694 16.539 1.00 0.00 N ATOM 0 HA GLN A 23 8.535 16.168 11.563 1.00 0.00 H new ATOM 0 HB2 GLN A 23 9.498 14.386 12.998 1.00 0.00 H new ATOM 0 HB3 GLN A 23 9.418 15.943 13.798 1.00 0.00 H new ATOM 0 HG2 GLN A 23 7.418 15.223 15.071 1.00 0.00 H new ATOM 0 HG3 GLN A 23 7.404 13.689 14.223 1.00 0.00 H new ATOM 0 HE21 GLN A 23 9.303 15.685 16.548 1.00 0.00 H new ATOM 0 HE22 GLN A 23 10.195 14.321 17.230 1.00 0.00 H new ATOM 18 N ILE A 24 7.883 14.026 10.439 1.00 0.00 N ATOM 19 CA ILE A 24 7.293 13.091 9.458 1.00 0.00 C ATOM 20 C ILE A 24 7.456 11.605 9.820 1.00 0.00 C ATOM 21 O ILE A 24 6.538 10.818 9.590 1.00 0.00 O ATOM 22 CB ILE A 24 7.835 13.436 8.046 1.00 0.00 C ATOM 23 CG1 ILE A 24 7.089 14.647 7.451 1.00 0.00 C ATOM 24 CG2 ILE A 24 7.719 12.237 7.097 1.00 0.00 C ATOM 25 CD1 ILE A 24 7.833 15.354 6.309 1.00 0.00 C ATOM 0 H ILE A 24 8.854 14.264 10.236 1.00 0.00 H new ATOM 0 HA ILE A 24 6.212 13.232 9.472 1.00 0.00 H new ATOM 0 HB ILE A 24 8.889 13.690 8.156 1.00 0.00 H new ATOM 0 HG12 ILE A 24 6.118 14.315 7.084 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.900 15.368 8.246 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.107 12.511 6.116 1.00 0.00 H new ATOM 0 HG22 ILE A 24 8.295 11.401 7.495 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.673 11.946 7.005 1.00 0.00 H new ATOM 0 HD11 ILE A 24 7.236 16.193 5.951 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.793 15.720 6.672 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.998 14.651 5.492 1.00 0.00 H new ATOM 37 N ASN A 25 8.606 11.222 10.389 1.00 0.00 N ATOM 38 CA ASN A 25 8.960 9.833 10.755 1.00 0.00 C ATOM 39 C ASN A 25 9.146 8.869 9.552 1.00 0.00 C ATOM 40 O ASN A 25 8.730 7.710 9.565 1.00 0.00 O ATOM 41 CB ASN A 25 8.030 9.290 11.861 1.00 0.00 C ATOM 42 CG ASN A 25 8.381 9.803 13.245 1.00 0.00 C ATOM 43 OD1 ASN A 25 8.482 9.070 14.220 1.00 0.00 O ATOM 44 ND2 ASN A 25 8.588 11.092 13.349 1.00 0.00 N ATOM 0 H ASN A 25 9.344 11.888 10.617 1.00 0.00 H new ATOM 0 HA ASN A 25 9.963 9.880 11.180 1.00 0.00 H new ATOM 0 HB2 ASN A 25 7.001 9.566 11.629 1.00 0.00 H new ATOM 0 HB3 ASN A 25 8.076 8.201 11.862 1.00 0.00 H new ATOM 0 HD21 ASN A 25 8.837 11.497 14.251 1.00 0.00 H new ATOM 0 HD22 ASN A 25 8.500 11.691 12.528 1.00 0.00 H new ATOM 51 N GLN A 26 9.779 9.373 8.493 1.00 0.00 N ATOM 52 CA GLN A 26 10.054 8.684 7.214 1.00 0.00 C ATOM 53 C GLN A 26 11.529 8.797 6.798 1.00 0.00 C ATOM 54 O GLN A 26 12.372 9.266 7.562 1.00 0.00 O ATOM 55 CB GLN A 26 9.086 9.104 6.096 1.00 0.00 C ATOM 56 CG GLN A 26 7.612 8.838 6.422 1.00 0.00 C ATOM 57 CD GLN A 26 7.237 7.386 6.755 1.00 0.00 C ATOM 58 OE1 GLN A 26 6.332 7.122 7.535 1.00 0.00 O ATOM 59 NE2 GLN A 26 7.860 6.383 6.164 1.00 0.00 N ATOM 0 H GLN A 26 10.138 10.328 8.496 1.00 0.00 H new ATOM 0 HA GLN A 26 9.866 7.624 7.387 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.218 10.167 5.894 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.348 8.571 5.182 1.00 0.00 H new ATOM 0 HG2 GLN A 26 7.330 9.466 7.267 1.00 0.00 H new ATOM 0 HG3 GLN A 26 7.011 9.160 5.572 1.00 0.00 H new ATOM 0 HE21 GLN A 26 8.619 6.569 5.508 1.00 0.00 H new ATOM 0 HE22 GLN A 26 7.582 5.422 6.363 1.00 0.00 H new ATOM 68 N VAL A 27 11.849 8.271 5.613 1.00 0.00 N ATOM 69 CA VAL A 27 13.230 8.058 5.127 1.00 0.00 C ATOM 70 C VAL A 27 13.694 9.077 4.081 1.00 0.00 C ATOM 71 O VAL A 27 12.896 9.636 3.331 1.00 0.00 O ATOM 72 CB VAL A 27 13.397 6.607 4.610 1.00 0.00 C ATOM 73 CG1 VAL A 27 14.867 6.214 4.402 1.00 0.00 C ATOM 74 CG2 VAL A 27 12.817 5.571 5.591 1.00 0.00 C ATOM 0 H VAL A 27 11.142 7.971 4.942 1.00 0.00 H new ATOM 0 HA VAL A 27 13.883 8.217 5.985 1.00 0.00 H new ATOM 0 HB VAL A 27 12.860 6.598 3.661 1.00 0.00 H new ATOM 0 HG11 VAL A 27 14.921 5.188 4.039 1.00 0.00 H new ATOM 0 HG12 VAL A 27 15.322 6.882 3.671 1.00 0.00 H new ATOM 0 HG13 VAL A 27 15.402 6.293 5.348 1.00 0.00 H new ATOM 0 HG21 VAL A 27 12.957 4.569 5.186 1.00 0.00 H new ATOM 0 HG22 VAL A 27 13.330 5.650 6.549 1.00 0.00 H new ATOM 0 HG23 VAL A 27 11.753 5.760 5.732 1.00 0.00 H new ATOM 84 N ARG A 28 15.009 9.333 4.045 1.00 0.00 N ATOM 85 CA ARG A 28 15.664 10.222 3.078 1.00 0.00 C ATOM 86 C ARG A 28 16.081 9.504 1.777 1.00 0.00 C ATOM 87 O ARG A 28 16.600 8.387 1.845 1.00 0.00 O ATOM 88 CB ARG A 28 16.834 10.963 3.754 1.00 0.00 C ATOM 89 CG ARG A 28 17.977 10.078 4.291 1.00 0.00 C ATOM 90 CD ARG A 28 19.212 10.894 4.697 1.00 0.00 C ATOM 91 NE ARG A 28 18.903 11.927 5.711 1.00 0.00 N ATOM 92 CZ ARG A 28 18.943 13.240 5.554 1.00 0.00 C ATOM 93 NH1 ARG A 28 19.268 13.826 4.441 1.00 0.00 N ATOM 94 NH2 ARG A 28 18.655 14.050 6.525 1.00 0.00 N ATOM 0 H ARG A 28 15.664 8.915 4.706 1.00 0.00 H new ATOM 0 HA ARG A 28 14.932 10.963 2.758 1.00 0.00 H new ATOM 0 HB2 ARG A 28 17.254 11.668 3.037 1.00 0.00 H new ATOM 0 HB3 ARG A 28 16.436 11.550 4.582 1.00 0.00 H new ATOM 0 HG2 ARG A 28 17.620 9.512 5.152 1.00 0.00 H new ATOM 0 HG3 ARG A 28 18.260 9.353 3.528 1.00 0.00 H new ATOM 0 HD2 ARG A 28 19.974 10.221 5.090 1.00 0.00 H new ATOM 0 HD3 ARG A 28 19.634 11.372 3.813 1.00 0.00 H new ATOM 0 HE ARG A 28 18.629 11.589 6.633 1.00 0.00 H new ATOM 0 HH11 ARG A 28 19.512 13.268 3.623 1.00 0.00 H new ATOM 0 HH12 ARG A 28 19.280 14.844 4.385 1.00 0.00 H new ATOM 0 HH21 ARG A 28 18.390 13.679 7.437 1.00 0.00 H new ATOM 0 HH22 ARG A 28 18.694 15.058 6.377 1.00 0.00 H new ATOM 108 N PRO A 29 15.897 10.123 0.594 1.00 0.00 N ATOM 109 CA PRO A 29 16.446 9.637 -0.673 1.00 0.00 C ATOM 110 C PRO A 29 17.936 10.023 -0.818 1.00 0.00 C ATOM 111 O PRO A 29 18.470 10.796 -0.016 1.00 0.00 O ATOM 112 CB PRO A 29 15.556 10.298 -1.729 1.00 0.00 C ATOM 113 CG PRO A 29 15.245 11.665 -1.121 1.00 0.00 C ATOM 114 CD PRO A 29 15.146 11.354 0.373 1.00 0.00 C ATOM 0 HA PRO A 29 16.438 8.551 -0.761 1.00 0.00 H new ATOM 0 HB2 PRO A 29 16.069 10.391 -2.686 1.00 0.00 H new ATOM 0 HB3 PRO A 29 14.648 9.722 -1.908 1.00 0.00 H new ATOM 0 HG2 PRO A 29 16.031 12.390 -1.332 1.00 0.00 H new ATOM 0 HG3 PRO A 29 14.315 12.079 -1.511 1.00 0.00 H new ATOM 0 HD2 PRO A 29 15.557 12.170 0.967 1.00 0.00 H new ATOM 0 HD3 PRO A 29 14.106 11.233 0.675 1.00 0.00 H new ATOM 122 N LYS A 30 18.612 9.520 -1.864 1.00 0.00 N ATOM 123 CA LYS A 30 20.001 9.911 -2.193 1.00 0.00 C ATOM 124 C LYS A 30 20.088 11.389 -2.618 1.00 0.00 C ATOM 125 O LYS A 30 19.118 11.958 -3.118 1.00 0.00 O ATOM 126 CB LYS A 30 20.594 8.943 -3.245 1.00 0.00 C ATOM 127 CG LYS A 30 22.133 8.896 -3.188 1.00 0.00 C ATOM 128 CD LYS A 30 22.765 8.094 -4.335 1.00 0.00 C ATOM 129 CE LYS A 30 24.301 8.211 -4.349 1.00 0.00 C ATOM 130 NZ LYS A 30 24.950 7.468 -3.230 1.00 0.00 N ATOM 0 H LYS A 30 18.217 8.833 -2.506 1.00 0.00 H new ATOM 0 HA LYS A 30 20.612 9.825 -1.295 1.00 0.00 H new ATOM 0 HB2 LYS A 30 20.195 7.942 -3.081 1.00 0.00 H new ATOM 0 HB3 LYS A 30 20.278 9.253 -4.241 1.00 0.00 H new ATOM 0 HG2 LYS A 30 22.521 9.914 -3.211 1.00 0.00 H new ATOM 0 HG3 LYS A 30 22.440 8.459 -2.238 1.00 0.00 H new ATOM 0 HD2 LYS A 30 22.483 7.045 -4.241 1.00 0.00 H new ATOM 0 HD3 LYS A 30 22.367 8.448 -5.286 1.00 0.00 H new ATOM 0 HE2 LYS A 30 24.681 7.832 -5.298 1.00 0.00 H new ATOM 0 HE3 LYS A 30 24.581 9.263 -4.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 25.982 7.582 -3.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 24.612 7.844 -2.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 24.709 6.459 -3.298 1.00 0.00 H new ATOM 144 N LEU A 31 21.267 11.996 -2.474 1.00 0.00 N ATOM 145 CA LEU A 31 21.547 13.417 -2.736 1.00 0.00 C ATOM 146 C LEU A 31 21.017 13.948 -4.091 1.00 0.00 C ATOM 147 O LEU A 31 20.369 14.994 -4.069 1.00 0.00 O ATOM 148 CB LEU A 31 23.062 13.630 -2.495 1.00 0.00 C ATOM 149 CG LEU A 31 23.649 15.052 -2.577 1.00 0.00 C ATOM 150 CD1 LEU A 31 23.822 15.571 -4.007 1.00 0.00 C ATOM 151 CD2 LEU A 31 22.846 16.067 -1.763 1.00 0.00 C ATOM 0 H LEU A 31 22.094 11.491 -2.157 1.00 0.00 H new ATOM 0 HA LEU A 31 20.977 14.037 -2.044 1.00 0.00 H new ATOM 0 HB2 LEU A 31 23.294 13.237 -1.505 1.00 0.00 H new ATOM 0 HB3 LEU A 31 23.598 13.013 -3.216 1.00 0.00 H new ATOM 0 HG LEU A 31 24.643 14.952 -2.141 1.00 0.00 H new ATOM 0 HD11 LEU A 31 24.240 16.577 -3.981 1.00 0.00 H new ATOM 0 HD12 LEU A 31 24.496 14.912 -4.554 1.00 0.00 H new ATOM 0 HD13 LEU A 31 22.853 15.593 -4.506 1.00 0.00 H new ATOM 0 HD21 LEU A 31 23.304 17.052 -1.856 1.00 0.00 H new ATOM 0 HD22 LEU A 31 21.823 16.105 -2.137 1.00 0.00 H new ATOM 0 HD23 LEU A 31 22.838 15.768 -0.715 1.00 0.00 H new ATOM 163 N PRO A 32 21.174 13.263 -5.248 1.00 0.00 N ATOM 164 CA PRO A 32 20.628 13.750 -6.525 1.00 0.00 C ATOM 165 C PRO A 32 19.098 13.891 -6.531 1.00 0.00 C ATOM 166 O PRO A 32 18.567 14.881 -7.034 1.00 0.00 O ATOM 167 CB PRO A 32 21.098 12.748 -7.588 1.00 0.00 C ATOM 168 CG PRO A 32 22.372 12.167 -6.983 1.00 0.00 C ATOM 169 CD PRO A 32 22.040 12.115 -5.495 1.00 0.00 C ATOM 0 HA PRO A 32 20.989 14.760 -6.719 1.00 0.00 H new ATOM 0 HB2 PRO A 32 20.351 11.976 -7.771 1.00 0.00 H new ATOM 0 HB3 PRO A 32 21.292 13.236 -8.543 1.00 0.00 H new ATOM 0 HG2 PRO A 32 22.596 11.178 -7.383 1.00 0.00 H new ATOM 0 HG3 PRO A 32 23.239 12.796 -7.183 1.00 0.00 H new ATOM 0 HD2 PRO A 32 21.538 11.182 -5.237 1.00 0.00 H new ATOM 0 HD3 PRO A 32 22.944 12.168 -4.889 1.00 0.00 H new ATOM 177 N LEU A 33 18.388 12.935 -5.915 1.00 0.00 N ATOM 178 CA LEU A 33 16.928 12.980 -5.746 1.00 0.00 C ATOM 179 C LEU A 33 16.551 14.122 -4.801 1.00 0.00 C ATOM 180 O LEU A 33 15.696 14.941 -5.123 1.00 0.00 O ATOM 181 CB LEU A 33 16.403 11.642 -5.181 1.00 0.00 C ATOM 182 CG LEU A 33 16.242 10.484 -6.174 1.00 0.00 C ATOM 183 CD1 LEU A 33 17.578 10.003 -6.734 1.00 0.00 C ATOM 184 CD2 LEU A 33 15.598 9.295 -5.461 1.00 0.00 C ATOM 0 H LEU A 33 18.816 12.100 -5.516 1.00 0.00 H new ATOM 0 HA LEU A 33 16.472 13.149 -6.721 1.00 0.00 H new ATOM 0 HB2 LEU A 33 17.080 11.319 -4.390 1.00 0.00 H new ATOM 0 HB3 LEU A 33 15.435 11.827 -4.716 1.00 0.00 H new ATOM 0 HG LEU A 33 15.628 10.855 -6.994 1.00 0.00 H new ATOM 0 HD11 LEU A 33 17.406 9.183 -7.431 1.00 0.00 H new ATOM 0 HD12 LEU A 33 18.071 10.824 -7.254 1.00 0.00 H new ATOM 0 HD13 LEU A 33 18.212 9.658 -5.917 1.00 0.00 H new ATOM 0 HD21 LEU A 33 15.482 8.469 -6.163 1.00 0.00 H new ATOM 0 HD22 LEU A 33 16.233 8.980 -4.633 1.00 0.00 H new ATOM 0 HD23 LEU A 33 14.620 9.586 -5.078 1.00 0.00 H new ATOM 196 N LEU A 34 17.230 14.213 -3.654 1.00 0.00 N ATOM 197 CA LEU A 34 17.001 15.265 -2.661 1.00 0.00 C ATOM 198 C LEU A 34 17.154 16.660 -3.292 1.00 0.00 C ATOM 199 O LEU A 34 16.313 17.523 -3.058 1.00 0.00 O ATOM 200 CB LEU A 34 17.959 15.003 -1.477 1.00 0.00 C ATOM 201 CG LEU A 34 17.780 15.831 -0.189 1.00 0.00 C ATOM 202 CD1 LEU A 34 18.348 17.246 -0.289 1.00 0.00 C ATOM 203 CD2 LEU A 34 16.322 15.896 0.268 1.00 0.00 C ATOM 0 H LEU A 34 17.960 13.553 -3.387 1.00 0.00 H new ATOM 0 HA LEU A 34 15.978 15.243 -2.285 1.00 0.00 H new ATOM 0 HB2 LEU A 34 17.874 13.950 -1.209 1.00 0.00 H new ATOM 0 HB3 LEU A 34 18.977 15.160 -1.833 1.00 0.00 H new ATOM 0 HG LEU A 34 18.360 15.293 0.561 1.00 0.00 H new ATOM 0 HD11 LEU A 34 18.187 17.770 0.653 1.00 0.00 H new ATOM 0 HD12 LEU A 34 19.417 17.195 -0.498 1.00 0.00 H new ATOM 0 HD13 LEU A 34 17.846 17.783 -1.094 1.00 0.00 H new ATOM 0 HD21 LEU A 34 16.252 16.491 1.179 1.00 0.00 H new ATOM 0 HD22 LEU A 34 15.716 16.356 -0.513 1.00 0.00 H new ATOM 0 HD23 LEU A 34 15.957 14.888 0.464 1.00 0.00 H new ATOM 215 N LYS A 35 18.138 16.863 -4.180 1.00 0.00 N ATOM 216 CA LYS A 35 18.337 18.115 -4.919 1.00 0.00 C ATOM 217 C LYS A 35 17.169 18.484 -5.839 1.00 0.00 C ATOM 218 O LYS A 35 16.748 19.634 -5.828 1.00 0.00 O ATOM 219 CB LYS A 35 19.672 18.034 -5.688 1.00 0.00 C ATOM 220 CG LYS A 35 20.369 19.399 -5.726 1.00 0.00 C ATOM 221 CD LYS A 35 20.979 19.757 -4.358 1.00 0.00 C ATOM 222 CE LYS A 35 22.395 19.188 -4.187 1.00 0.00 C ATOM 223 NZ LYS A 35 23.093 19.804 -3.022 1.00 0.00 N ATOM 0 H LYS A 35 18.829 16.148 -4.408 1.00 0.00 H new ATOM 0 HA LYS A 35 18.377 18.926 -4.192 1.00 0.00 H new ATOM 0 HB2 LYS A 35 20.325 17.302 -5.213 1.00 0.00 H new ATOM 0 HB3 LYS A 35 19.489 17.687 -6.705 1.00 0.00 H new ATOM 0 HG2 LYS A 35 21.152 19.388 -6.484 1.00 0.00 H new ATOM 0 HG3 LYS A 35 19.653 20.167 -6.019 1.00 0.00 H new ATOM 0 HD2 LYS A 35 21.009 20.841 -4.248 1.00 0.00 H new ATOM 0 HD3 LYS A 35 20.337 19.374 -3.565 1.00 0.00 H new ATOM 0 HE2 LYS A 35 22.341 18.108 -4.051 1.00 0.00 H new ATOM 0 HE3 LYS A 35 22.972 19.366 -5.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 24.046 19.398 -2.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 23.166 20.832 -3.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 22.554 19.612 -2.153 1.00 0.00 H new ATOM 237 N ILE A 36 16.593 17.526 -6.570 1.00 0.00 N ATOM 238 CA ILE A 36 15.376 17.722 -7.387 1.00 0.00 C ATOM 239 C ILE A 36 14.190 18.118 -6.484 1.00 0.00 C ATOM 240 O ILE A 36 13.504 19.101 -6.754 1.00 0.00 O ATOM 241 CB ILE A 36 15.086 16.440 -8.193 1.00 0.00 C ATOM 242 CG1 ILE A 36 16.229 16.220 -9.206 1.00 0.00 C ATOM 243 CG2 ILE A 36 13.744 16.529 -8.943 1.00 0.00 C ATOM 244 CD1 ILE A 36 16.359 14.770 -9.653 1.00 0.00 C ATOM 0 H ILE A 36 16.959 16.575 -6.617 1.00 0.00 H new ATOM 0 HA ILE A 36 15.530 18.536 -8.095 1.00 0.00 H new ATOM 0 HB ILE A 36 15.022 15.603 -7.497 1.00 0.00 H new ATOM 0 HG12 ILE A 36 16.059 16.850 -10.079 1.00 0.00 H new ATOM 0 HG13 ILE A 36 17.170 16.542 -8.759 1.00 0.00 H new ATOM 0 HG21 ILE A 36 13.576 15.607 -9.499 1.00 0.00 H new ATOM 0 HG22 ILE A 36 12.936 16.673 -8.226 1.00 0.00 H new ATOM 0 HG23 ILE A 36 13.769 17.370 -9.635 1.00 0.00 H new ATOM 0 HD11 ILE A 36 17.180 14.681 -10.365 1.00 0.00 H new ATOM 0 HD12 ILE A 36 16.559 14.139 -8.787 1.00 0.00 H new ATOM 0 HD13 ILE A 36 15.431 14.451 -10.128 1.00 0.00 H new ATOM 256 N LEU A 37 13.980 17.411 -5.367 1.00 0.00 N ATOM 257 CA LEU A 37 12.900 17.660 -4.410 1.00 0.00 C ATOM 258 C LEU A 37 13.035 19.047 -3.760 1.00 0.00 C ATOM 259 O LEU A 37 12.056 19.777 -3.624 1.00 0.00 O ATOM 260 CB LEU A 37 12.952 16.515 -3.375 1.00 0.00 C ATOM 261 CG LEU A 37 12.350 15.167 -3.818 1.00 0.00 C ATOM 262 CD1 LEU A 37 12.348 14.796 -5.304 1.00 0.00 C ATOM 263 CD2 LEU A 37 12.976 14.025 -3.022 1.00 0.00 C ATOM 0 H LEU A 37 14.575 16.628 -5.098 1.00 0.00 H new ATOM 0 HA LEU A 37 11.930 17.671 -4.906 1.00 0.00 H new ATOM 0 HB2 LEU A 37 13.993 16.350 -3.099 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.432 16.843 -2.475 1.00 0.00 H new ATOM 0 HG LEU A 37 11.292 15.320 -3.605 1.00 0.00 H new ATOM 0 HD11 LEU A 37 11.888 13.817 -5.434 1.00 0.00 H new ATOM 0 HD12 LEU A 37 11.782 15.540 -5.864 1.00 0.00 H new ATOM 0 HD13 LEU A 37 13.373 14.767 -5.673 1.00 0.00 H new ATOM 0 HD21 LEU A 37 12.543 13.078 -3.343 1.00 0.00 H new ATOM 0 HD22 LEU A 37 14.052 14.009 -3.194 1.00 0.00 H new ATOM 0 HD23 LEU A 37 12.780 14.172 -1.960 1.00 0.00 H new ATOM 275 N HIS A 38 14.258 19.456 -3.423 1.00 0.00 N ATOM 276 CA HIS A 38 14.569 20.770 -2.849 1.00 0.00 C ATOM 277 C HIS A 38 14.474 21.900 -3.874 1.00 0.00 C ATOM 278 O HIS A 38 13.889 22.935 -3.560 1.00 0.00 O ATOM 279 CB HIS A 38 15.943 20.697 -2.167 1.00 0.00 C ATOM 280 CG HIS A 38 15.868 20.161 -0.753 1.00 0.00 C ATOM 281 ND1 HIS A 38 16.752 20.472 0.287 1.00 0.00 N ATOM 282 CD2 HIS A 38 14.865 19.379 -0.253 1.00 0.00 C ATOM 283 CE1 HIS A 38 16.263 19.861 1.382 1.00 0.00 C ATOM 284 NE2 HIS A 38 15.129 19.201 1.086 1.00 0.00 N ATOM 0 H HIS A 38 15.083 18.869 -3.544 1.00 0.00 H new ATOM 0 HA HIS A 38 13.817 21.017 -2.100 1.00 0.00 H new ATOM 0 HB2 HIS A 38 16.603 20.061 -2.757 1.00 0.00 H new ATOM 0 HB3 HIS A 38 16.389 21.692 -2.151 1.00 0.00 H new ATOM 0 HD2 HIS A 38 14.026 18.978 -0.803 1.00 0.00 H new ATOM 0 HE1 HIS A 38 16.717 19.896 2.361 1.00 0.00 H new ATOM 0 HE2 HIS A 38 14.563 18.662 1.741 1.00 0.00 H new ATOM 292 N ALA A 39 14.902 21.673 -5.119 1.00 0.00 N ATOM 293 CA ALA A 39 14.708 22.601 -6.236 1.00 0.00 C ATOM 294 C ALA A 39 13.219 22.862 -6.515 1.00 0.00 C ATOM 295 O ALA A 39 12.858 23.933 -7.010 1.00 0.00 O ATOM 296 CB ALA A 39 15.437 22.046 -7.463 1.00 0.00 C ATOM 0 H ALA A 39 15.402 20.824 -5.383 1.00 0.00 H new ATOM 0 HA ALA A 39 15.131 23.572 -5.977 1.00 0.00 H new ATOM 0 HB1 ALA A 39 15.302 22.726 -8.304 1.00 0.00 H new ATOM 0 HB2 ALA A 39 16.500 21.949 -7.242 1.00 0.00 H new ATOM 0 HB3 ALA A 39 15.028 21.068 -7.718 1.00 0.00 H new ATOM 302 N ALA A 40 12.352 21.917 -6.135 1.00 0.00 N ATOM 303 CA ALA A 40 10.910 22.103 -6.133 1.00 0.00 C ATOM 304 C ALA A 40 10.363 22.801 -4.870 1.00 0.00 C ATOM 305 O ALA A 40 9.290 23.401 -4.946 1.00 0.00 O ATOM 306 CB ALA A 40 10.245 20.740 -6.328 1.00 0.00 C ATOM 0 H ALA A 40 12.643 20.992 -5.817 1.00 0.00 H new ATOM 0 HA ALA A 40 10.669 22.778 -6.954 1.00 0.00 H new ATOM 0 HB1 ALA A 40 9.162 20.861 -6.329 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.563 20.312 -7.279 1.00 0.00 H new ATOM 0 HB3 ALA A 40 10.535 20.074 -5.515 1.00 0.00 H new ATOM 312 N GLY A 41 11.049 22.715 -3.720 1.00 0.00 N ATOM 313 CA GLY A 41 10.563 23.189 -2.417 1.00 0.00 C ATOM 314 C GLY A 41 9.843 22.098 -1.611 1.00 0.00 C ATOM 315 O GLY A 41 8.617 22.125 -1.473 1.00 0.00 O ATOM 0 H GLY A 41 11.981 22.303 -3.670 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.405 23.565 -1.837 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.883 24.027 -2.572 1.00 0.00 H new ATOM 319 N ALA A 42 10.607 21.134 -1.085 1.00 0.00 N ATOM 320 CA ALA A 42 10.117 20.062 -0.210 1.00 0.00 C ATOM 321 C ALA A 42 9.921 20.517 1.254 1.00 0.00 C ATOM 322 O ALA A 42 10.445 21.552 1.675 1.00 0.00 O ATOM 323 CB ALA A 42 11.063 18.862 -0.322 1.00 0.00 C ATOM 0 H ALA A 42 11.610 21.076 -1.261 1.00 0.00 H new ATOM 0 HA ALA A 42 9.122 19.771 -0.546 1.00 0.00 H new ATOM 0 HB1 ALA A 42 10.709 18.058 0.324 1.00 0.00 H new ATOM 0 HB2 ALA A 42 11.088 18.513 -1.354 1.00 0.00 H new ATOM 0 HB3 ALA A 42 12.066 19.159 -0.015 1.00 0.00 H new ATOM 329 N GLN A 43 9.193 19.717 2.045 1.00 0.00 N ATOM 330 CA GLN A 43 8.818 20.024 3.440 1.00 0.00 C ATOM 331 C GLN A 43 9.740 19.342 4.481 1.00 0.00 C ATOM 332 O GLN A 43 9.327 19.023 5.598 1.00 0.00 O ATOM 333 CB GLN A 43 7.313 19.737 3.625 1.00 0.00 C ATOM 334 CG GLN A 43 6.667 20.550 4.765 1.00 0.00 C ATOM 335 CD GLN A 43 5.167 20.292 4.935 1.00 0.00 C ATOM 336 OE1 GLN A 43 4.525 19.534 4.215 1.00 0.00 O ATOM 337 NE2 GLN A 43 4.535 20.922 5.906 1.00 0.00 N ATOM 0 H GLN A 43 8.838 18.815 1.728 1.00 0.00 H new ATOM 0 HA GLN A 43 8.978 21.085 3.634 1.00 0.00 H new ATOM 0 HB2 GLN A 43 6.792 19.956 2.693 1.00 0.00 H new ATOM 0 HB3 GLN A 43 7.176 18.674 3.824 1.00 0.00 H new ATOM 0 HG2 GLN A 43 7.175 20.314 5.700 1.00 0.00 H new ATOM 0 HG3 GLN A 43 6.824 21.612 4.576 1.00 0.00 H new ATOM 0 HE21 GLN A 43 5.046 21.558 6.519 1.00 0.00 H new ATOM 0 HE22 GLN A 43 3.535 20.774 6.044 1.00 0.00 H new ATOM 346 N GLY A 44 10.998 19.090 4.103 1.00 0.00 N ATOM 347 CA GLY A 44 12.006 18.412 4.928 1.00 0.00 C ATOM 348 C GLY A 44 13.045 17.652 4.101 1.00 0.00 C ATOM 349 O GLY A 44 13.295 17.976 2.939 1.00 0.00 O ATOM 0 H GLY A 44 11.354 19.360 3.186 1.00 0.00 H new ATOM 0 HA2 GLY A 44 12.514 19.149 5.550 1.00 0.00 H new ATOM 0 HA3 GLY A 44 11.507 17.716 5.602 1.00 0.00 H new ATOM 353 N GLU A 45 13.641 16.623 4.706 1.00 0.00 N ATOM 354 CA GLU A 45 14.584 15.687 4.061 1.00 0.00 C ATOM 355 C GLU A 45 14.127 14.211 4.138 1.00 0.00 C ATOM 356 O GLU A 45 14.770 13.338 3.560 1.00 0.00 O ATOM 357 CB GLU A 45 15.978 15.865 4.688 1.00 0.00 C ATOM 358 CG GLU A 45 16.617 17.232 4.394 1.00 0.00 C ATOM 359 CD GLU A 45 17.953 17.409 5.145 1.00 0.00 C ATOM 360 OE1 GLU A 45 18.798 16.479 5.128 1.00 0.00 O ATOM 361 OE2 GLU A 45 18.170 18.480 5.763 1.00 0.00 O ATOM 0 H GLU A 45 13.480 16.405 5.689 1.00 0.00 H new ATOM 0 HA GLU A 45 14.617 15.930 2.999 1.00 0.00 H new ATOM 0 HB2 GLU A 45 15.901 15.734 5.767 1.00 0.00 H new ATOM 0 HB3 GLU A 45 16.636 15.079 4.318 1.00 0.00 H new ATOM 0 HG2 GLU A 45 16.786 17.332 3.322 1.00 0.00 H new ATOM 0 HG3 GLU A 45 15.928 18.026 4.684 1.00 0.00 H new ATOM 368 N MET A 46 13.019 13.931 4.837 1.00 0.00 N ATOM 369 CA MET A 46 12.496 12.599 5.184 1.00 0.00 C ATOM 370 C MET A 46 11.037 12.480 4.715 1.00 0.00 C ATOM 371 O MET A 46 10.192 13.236 5.189 1.00 0.00 O ATOM 372 CB MET A 46 12.550 12.434 6.715 1.00 0.00 C ATOM 373 CG MET A 46 13.913 11.980 7.253 1.00 0.00 C ATOM 374 SD MET A 46 15.280 13.176 7.213 1.00 0.00 S ATOM 375 CE MET A 46 14.705 14.394 8.430 1.00 0.00 C ATOM 0 H MET A 46 12.424 14.676 5.200 1.00 0.00 H new ATOM 0 HA MET A 46 13.095 11.828 4.699 1.00 0.00 H new ATOM 0 HB2 MET A 46 12.287 13.384 7.181 1.00 0.00 H new ATOM 0 HB3 MET A 46 11.793 11.710 7.018 1.00 0.00 H new ATOM 0 HG2 MET A 46 13.776 11.662 8.287 1.00 0.00 H new ATOM 0 HG3 MET A 46 14.221 11.101 6.687 1.00 0.00 H new ATOM 0 HE1 MET A 46 15.498 15.117 8.624 1.00 0.00 H new ATOM 0 HE2 MET A 46 13.829 14.912 8.040 1.00 0.00 H new ATOM 0 HE3 MET A 46 14.443 13.885 9.358 1.00 0.00 H new ATOM 385 N PHE A 47 10.726 11.546 3.807 1.00 0.00 N ATOM 386 CA PHE A 47 9.382 11.384 3.205 1.00 0.00 C ATOM 387 C PHE A 47 9.125 9.949 2.682 1.00 0.00 C ATOM 388 O PHE A 47 10.040 9.138 2.554 1.00 0.00 O ATOM 389 CB PHE A 47 9.174 12.396 2.052 1.00 0.00 C ATOM 390 CG PHE A 47 10.282 13.403 1.810 1.00 0.00 C ATOM 391 CD1 PHE A 47 11.543 12.959 1.370 1.00 0.00 C ATOM 392 CD2 PHE A 47 10.068 14.771 2.060 1.00 0.00 C ATOM 393 CE1 PHE A 47 12.572 13.886 1.155 1.00 0.00 C ATOM 394 CE2 PHE A 47 11.090 15.702 1.806 1.00 0.00 C ATOM 395 CZ PHE A 47 12.340 15.261 1.340 1.00 0.00 C ATOM 0 H PHE A 47 11.405 10.869 3.460 1.00 0.00 H new ATOM 0 HA PHE A 47 8.665 11.577 4.003 1.00 0.00 H new ATOM 0 HB2 PHE A 47 9.021 11.833 1.131 1.00 0.00 H new ATOM 0 HB3 PHE A 47 8.253 12.946 2.246 1.00 0.00 H new ATOM 0 HD1 PHE A 47 11.717 11.907 1.199 1.00 0.00 H new ATOM 0 HD2 PHE A 47 9.117 15.106 2.448 1.00 0.00 H new ATOM 0 HE1 PHE A 47 13.548 13.543 0.846 1.00 0.00 H new ATOM 0 HE2 PHE A 47 10.915 16.755 1.969 1.00 0.00 H new ATOM 0 HZ PHE A 47 13.120 15.976 1.124 1.00 0.00 H new ATOM 405 N THR A 48 7.869 9.632 2.355 1.00 0.00 N ATOM 406 CA THR A 48 7.442 8.403 1.643 1.00 0.00 C ATOM 407 C THR A 48 7.531 8.556 0.119 1.00 0.00 C ATOM 408 O THR A 48 7.597 9.670 -0.387 1.00 0.00 O ATOM 409 CB THR A 48 6.001 8.024 2.047 1.00 0.00 C ATOM 410 OG1 THR A 48 5.254 9.188 2.327 1.00 0.00 O ATOM 411 CG2 THR A 48 6.004 7.145 3.289 1.00 0.00 C ATOM 0 H THR A 48 7.084 10.242 2.584 1.00 0.00 H new ATOM 0 HA THR A 48 8.127 7.607 1.936 1.00 0.00 H new ATOM 0 HB THR A 48 5.553 7.480 1.216 1.00 0.00 H new ATOM 0 HG1 THR A 48 4.397 8.937 2.731 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.979 6.890 3.556 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.565 6.232 3.087 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.471 7.683 4.114 1.00 0.00 H new ATOM 419 N VAL A 49 7.453 7.441 -0.626 1.00 0.00 N ATOM 420 CA VAL A 49 7.454 7.336 -2.106 1.00 0.00 C ATOM 421 C VAL A 49 6.434 8.306 -2.709 1.00 0.00 C ATOM 422 O VAL A 49 6.743 9.078 -3.619 1.00 0.00 O ATOM 423 CB VAL A 49 7.172 5.879 -2.546 1.00 0.00 C ATOM 424 CG1 VAL A 49 6.986 5.732 -4.061 1.00 0.00 C ATOM 425 CG2 VAL A 49 8.338 4.968 -2.135 1.00 0.00 C ATOM 0 H VAL A 49 7.383 6.523 -0.186 1.00 0.00 H new ATOM 0 HA VAL A 49 8.441 7.612 -2.477 1.00 0.00 H new ATOM 0 HB VAL A 49 6.243 5.593 -2.052 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.792 4.687 -4.304 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.143 6.343 -4.385 1.00 0.00 H new ATOM 0 HG13 VAL A 49 7.891 6.061 -4.572 1.00 0.00 H new ATOM 0 HG21 VAL A 49 8.129 3.945 -2.449 1.00 0.00 H new ATOM 0 HG22 VAL A 49 9.255 5.314 -2.611 1.00 0.00 H new ATOM 0 HG23 VAL A 49 8.458 4.997 -1.052 1.00 0.00 H new ATOM 435 N LYS A 50 5.234 8.325 -2.118 1.00 0.00 N ATOM 436 CA LYS A 50 4.113 9.155 -2.539 1.00 0.00 C ATOM 437 C LYS A 50 4.361 10.660 -2.355 1.00 0.00 C ATOM 438 O LYS A 50 3.915 11.460 -3.174 1.00 0.00 O ATOM 439 CB LYS A 50 2.872 8.620 -1.808 1.00 0.00 C ATOM 440 CG LYS A 50 2.721 9.075 -0.348 1.00 0.00 C ATOM 441 CD LYS A 50 1.487 8.439 0.305 1.00 0.00 C ATOM 442 CE LYS A 50 1.395 8.865 1.776 1.00 0.00 C ATOM 443 NZ LYS A 50 0.174 8.319 2.432 1.00 0.00 N ATOM 0 H LYS A 50 5.015 7.743 -1.309 1.00 0.00 H new ATOM 0 HA LYS A 50 3.963 9.080 -3.616 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.984 8.928 -2.361 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.899 7.531 -1.831 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.614 8.804 0.215 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.637 10.161 -0.309 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.586 8.743 -0.228 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.547 7.353 0.235 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.280 8.521 2.311 1.00 0.00 H new ATOM 0 HE3 LYS A 50 1.387 9.953 1.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.146 8.628 3.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.671 8.668 1.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.194 7.280 2.393 1.00 0.00 H new ATOM 457 N GLU A 51 5.123 11.039 -1.325 1.00 0.00 N ATOM 458 CA GLU A 51 5.540 12.423 -1.073 1.00 0.00 C ATOM 459 C GLU A 51 6.738 12.823 -1.944 1.00 0.00 C ATOM 460 O GLU A 51 6.684 13.864 -2.598 1.00 0.00 O ATOM 461 CB GLU A 51 5.848 12.627 0.419 1.00 0.00 C ATOM 462 CG GLU A 51 4.634 12.439 1.340 1.00 0.00 C ATOM 463 CD GLU A 51 3.555 13.517 1.113 1.00 0.00 C ATOM 464 OE1 GLU A 51 3.643 14.608 1.727 1.00 0.00 O ATOM 465 OE2 GLU A 51 2.599 13.278 0.336 1.00 0.00 O ATOM 0 H GLU A 51 5.474 10.381 -0.629 1.00 0.00 H new ATOM 0 HA GLU A 51 4.712 13.076 -1.348 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.629 11.927 0.717 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.248 13.631 0.563 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.201 11.453 1.170 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.961 12.469 2.379 1.00 0.00 H new ATOM 472 N VAL A 52 7.786 11.988 -2.043 1.00 0.00 N ATOM 473 CA VAL A 52 8.945 12.276 -2.905 1.00 0.00 C ATOM 474 C VAL A 52 8.542 12.508 -4.358 1.00 0.00 C ATOM 475 O VAL A 52 8.935 13.504 -4.965 1.00 0.00 O ATOM 476 CB VAL A 52 10.058 11.220 -2.836 1.00 0.00 C ATOM 477 CG1 VAL A 52 10.780 11.241 -1.489 1.00 0.00 C ATOM 478 CG2 VAL A 52 9.682 9.789 -3.142 1.00 0.00 C ATOM 0 H VAL A 52 7.854 11.106 -1.535 1.00 0.00 H new ATOM 0 HA VAL A 52 9.357 13.199 -2.498 1.00 0.00 H new ATOM 0 HB VAL A 52 10.705 11.537 -3.654 1.00 0.00 H new ATOM 0 HG11 VAL A 52 11.559 10.479 -1.482 1.00 0.00 H new ATOM 0 HG12 VAL A 52 11.230 12.222 -1.332 1.00 0.00 H new ATOM 0 HG13 VAL A 52 10.066 11.037 -0.691 1.00 0.00 H new ATOM 0 HG21 VAL A 52 10.564 9.155 -3.055 1.00 0.00 H new ATOM 0 HG22 VAL A 52 8.923 9.453 -2.436 1.00 0.00 H new ATOM 0 HG23 VAL A 52 9.288 9.725 -4.156 1.00 0.00 H new ATOM 488 N MET A 53 7.699 11.629 -4.899 1.00 0.00 N ATOM 489 CA MET A 53 7.165 11.802 -6.253 1.00 0.00 C ATOM 490 C MET A 53 6.188 12.986 -6.392 1.00 0.00 C ATOM 491 O MET A 53 6.096 13.554 -7.476 1.00 0.00 O ATOM 492 CB MET A 53 6.613 10.489 -6.822 1.00 0.00 C ATOM 493 CG MET A 53 5.198 10.150 -6.339 1.00 0.00 C ATOM 494 SD MET A 53 4.537 8.601 -7.006 1.00 0.00 S ATOM 495 CE MET A 53 4.307 9.089 -8.739 1.00 0.00 C ATOM 0 H MET A 53 7.370 10.790 -4.422 1.00 0.00 H new ATOM 0 HA MET A 53 8.014 12.080 -6.877 1.00 0.00 H new ATOM 0 HB2 MET A 53 6.610 10.549 -7.910 1.00 0.00 H new ATOM 0 HB3 MET A 53 7.285 9.675 -6.549 1.00 0.00 H new ATOM 0 HG2 MET A 53 5.202 10.091 -5.251 1.00 0.00 H new ATOM 0 HG3 MET A 53 4.528 10.965 -6.612 1.00 0.00 H new ATOM 0 HE1 MET A 53 3.870 8.260 -9.295 1.00 0.00 H new ATOM 0 HE2 MET A 53 3.642 9.951 -8.789 1.00 0.00 H new ATOM 0 HE3 MET A 53 5.272 9.350 -9.175 1.00 0.00 H new ATOM 505 N HIS A 54 5.521 13.445 -5.325 1.00 0.00 N ATOM 506 CA HIS A 54 4.697 14.666 -5.392 1.00 0.00 C ATOM 507 C HIS A 54 5.562 15.905 -5.648 1.00 0.00 C ATOM 508 O HIS A 54 5.194 16.767 -6.448 1.00 0.00 O ATOM 509 CB HIS A 54 3.861 14.835 -4.118 1.00 0.00 C ATOM 510 CG HIS A 54 2.917 16.011 -4.200 1.00 0.00 C ATOM 511 ND1 HIS A 54 1.686 16.019 -4.865 1.00 0.00 N ATOM 512 CD2 HIS A 54 3.150 17.254 -3.686 1.00 0.00 C ATOM 513 CE1 HIS A 54 1.206 17.268 -4.733 1.00 0.00 C ATOM 514 NE2 HIS A 54 2.064 18.029 -4.029 1.00 0.00 N ATOM 0 H HIS A 54 5.533 12.995 -4.410 1.00 0.00 H new ATOM 0 HA HIS A 54 4.012 14.559 -6.233 1.00 0.00 H new ATOM 0 HB2 HIS A 54 3.288 13.925 -3.939 1.00 0.00 H new ATOM 0 HB3 HIS A 54 4.527 14.966 -3.265 1.00 0.00 H new ATOM 0 HD2 HIS A 54 4.016 17.568 -3.121 1.00 0.00 H new ATOM 0 HE1 HIS A 54 0.265 17.612 -5.135 1.00 0.00 H new ATOM 0 HE2 HIS A 54 1.933 19.012 -3.790 1.00 0.00 H new ATOM 522 N TYR A 55 6.762 15.952 -5.058 1.00 0.00 N ATOM 523 CA TYR A 55 7.744 16.991 -5.378 1.00 0.00 C ATOM 524 C TYR A 55 8.267 16.891 -6.817 1.00 0.00 C ATOM 525 O TYR A 55 8.604 17.926 -7.380 1.00 0.00 O ATOM 526 CB TYR A 55 8.898 17.002 -4.372 1.00 0.00 C ATOM 527 CG TYR A 55 8.465 17.100 -2.922 1.00 0.00 C ATOM 528 CD1 TYR A 55 7.659 18.167 -2.483 1.00 0.00 C ATOM 529 CD2 TYR A 55 8.840 16.097 -2.015 1.00 0.00 C ATOM 530 CE1 TYR A 55 7.182 18.202 -1.158 1.00 0.00 C ATOM 531 CE2 TYR A 55 8.395 16.141 -0.685 1.00 0.00 C ATOM 532 CZ TYR A 55 7.554 17.185 -0.251 1.00 0.00 C ATOM 533 OH TYR A 55 7.125 17.218 1.041 1.00 0.00 O ATOM 0 H TYR A 55 7.075 15.281 -4.356 1.00 0.00 H new ATOM 0 HA TYR A 55 7.218 17.942 -5.301 1.00 0.00 H new ATOM 0 HB2 TYR A 55 9.486 16.093 -4.502 1.00 0.00 H new ATOM 0 HB3 TYR A 55 9.554 17.842 -4.600 1.00 0.00 H new ATOM 0 HD1 TYR A 55 7.405 18.964 -3.166 1.00 0.00 H new ATOM 0 HD2 TYR A 55 9.475 15.287 -2.342 1.00 0.00 H new ATOM 0 HE1 TYR A 55 6.534 19.004 -0.837 1.00 0.00 H new ATOM 0 HE2 TYR A 55 8.698 15.371 0.009 1.00 0.00 H new ATOM 0 HH TYR A 55 7.476 16.440 1.522 1.00 0.00 H new ATOM 543 N LEU A 56 8.280 15.711 -7.458 1.00 0.00 N ATOM 544 CA LEU A 56 8.558 15.618 -8.903 1.00 0.00 C ATOM 545 C LEU A 56 7.436 16.277 -9.707 1.00 0.00 C ATOM 546 O LEU A 56 7.709 17.100 -10.576 1.00 0.00 O ATOM 547 CB LEU A 56 8.726 14.167 -9.388 1.00 0.00 C ATOM 548 CG LEU A 56 9.800 13.338 -8.684 1.00 0.00 C ATOM 549 CD1 LEU A 56 9.845 11.937 -9.290 1.00 0.00 C ATOM 550 CD2 LEU A 56 11.179 13.978 -8.792 1.00 0.00 C ATOM 0 H LEU A 56 8.103 14.815 -7.004 1.00 0.00 H new ATOM 0 HA LEU A 56 9.502 16.139 -9.065 1.00 0.00 H new ATOM 0 HB2 LEU A 56 7.770 13.656 -9.275 1.00 0.00 H new ATOM 0 HB3 LEU A 56 8.953 14.187 -10.454 1.00 0.00 H new ATOM 0 HG LEU A 56 9.536 13.287 -7.628 1.00 0.00 H new ATOM 0 HD11 LEU A 56 10.611 11.347 -8.787 1.00 0.00 H new ATOM 0 HD12 LEU A 56 8.875 11.455 -9.164 1.00 0.00 H new ATOM 0 HD13 LEU A 56 10.080 12.007 -10.352 1.00 0.00 H new ATOM 0 HD21 LEU A 56 11.911 13.355 -8.278 1.00 0.00 H new ATOM 0 HD22 LEU A 56 11.456 14.071 -9.842 1.00 0.00 H new ATOM 0 HD23 LEU A 56 11.158 14.967 -8.333 1.00 0.00 H new ATOM 562 N GLY A 57 6.177 15.979 -9.377 1.00 0.00 N ATOM 563 CA GLY A 57 5.021 16.605 -10.018 1.00 0.00 C ATOM 564 C GLY A 57 5.049 18.130 -9.904 1.00 0.00 C ATOM 565 O GLY A 57 4.981 18.830 -10.916 1.00 0.00 O ATOM 0 H GLY A 57 5.932 15.298 -8.659 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.994 16.322 -11.070 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.106 16.226 -9.563 1.00 0.00 H new ATOM 569 N GLN A 58 5.308 18.665 -8.704 1.00 0.00 N ATOM 570 CA GLN A 58 5.431 20.114 -8.519 1.00 0.00 C ATOM 571 C GLN A 58 6.700 20.689 -9.169 1.00 0.00 C ATOM 572 O GLN A 58 6.651 21.813 -9.661 1.00 0.00 O ATOM 573 CB GLN A 58 5.267 20.507 -7.040 1.00 0.00 C ATOM 574 CG GLN A 58 6.586 20.746 -6.285 1.00 0.00 C ATOM 575 CD GLN A 58 6.372 20.953 -4.780 1.00 0.00 C ATOM 576 OE1 GLN A 58 5.481 20.394 -4.155 1.00 0.00 O ATOM 577 NE2 GLN A 58 7.204 21.730 -4.126 1.00 0.00 N ATOM 0 H GLN A 58 5.436 18.119 -7.852 1.00 0.00 H new ATOM 0 HA GLN A 58 4.605 20.581 -9.055 1.00 0.00 H new ATOM 0 HB2 GLN A 58 4.664 21.413 -6.984 1.00 0.00 H new ATOM 0 HB3 GLN A 58 4.710 19.721 -6.530 1.00 0.00 H new ATOM 0 HG2 GLN A 58 7.249 19.895 -6.441 1.00 0.00 H new ATOM 0 HG3 GLN A 58 7.086 21.621 -6.701 1.00 0.00 H new ATOM 0 HE21 GLN A 58 7.955 22.207 -4.625 1.00 0.00 H new ATOM 0 HE22 GLN A 58 7.099 21.857 -3.119 1.00 0.00 H new ATOM 586 N TYR A 59 7.814 19.939 -9.222 1.00 0.00 N ATOM 587 CA TYR A 59 9.033 20.356 -9.916 1.00 0.00 C ATOM 588 C TYR A 59 8.727 20.556 -11.402 1.00 0.00 C ATOM 589 O TYR A 59 8.985 21.617 -11.954 1.00 0.00 O ATOM 590 CB TYR A 59 10.146 19.304 -9.749 1.00 0.00 C ATOM 591 CG TYR A 59 11.458 19.593 -10.455 1.00 0.00 C ATOM 592 CD1 TYR A 59 11.581 19.324 -11.833 1.00 0.00 C ATOM 593 CD2 TYR A 59 12.576 20.049 -9.729 1.00 0.00 C ATOM 594 CE1 TYR A 59 12.821 19.473 -12.483 1.00 0.00 C ATOM 595 CE2 TYR A 59 13.830 20.141 -10.364 1.00 0.00 C ATOM 596 CZ TYR A 59 13.959 19.839 -11.732 1.00 0.00 C ATOM 597 OH TYR A 59 15.182 19.951 -12.314 1.00 0.00 O ATOM 0 H TYR A 59 7.889 19.023 -8.781 1.00 0.00 H new ATOM 0 HA TYR A 59 9.381 21.293 -9.481 1.00 0.00 H new ATOM 0 HB2 TYR A 59 10.349 19.187 -8.684 1.00 0.00 H new ATOM 0 HB3 TYR A 59 9.768 18.347 -10.108 1.00 0.00 H new ATOM 0 HD1 TYR A 59 10.717 19.001 -12.395 1.00 0.00 H new ATOM 0 HD2 TYR A 59 12.472 20.327 -8.691 1.00 0.00 H new ATOM 0 HE1 TYR A 59 12.901 19.309 -13.547 1.00 0.00 H new ATOM 0 HE2 TYR A 59 14.698 20.445 -9.797 1.00 0.00 H new ATOM 0 HH TYR A 59 15.097 20.433 -13.163 1.00 0.00 H new ATOM 607 N ILE A 60 8.112 19.564 -12.052 1.00 0.00 N ATOM 608 CA ILE A 60 7.746 19.630 -13.474 1.00 0.00 C ATOM 609 C ILE A 60 6.756 20.777 -13.705 1.00 0.00 C ATOM 610 O ILE A 60 6.892 21.508 -14.680 1.00 0.00 O ATOM 611 CB ILE A 60 7.157 18.278 -13.929 1.00 0.00 C ATOM 612 CG1 ILE A 60 8.153 17.111 -13.759 1.00 0.00 C ATOM 613 CG2 ILE A 60 6.711 18.323 -15.400 1.00 0.00 C ATOM 614 CD1 ILE A 60 7.401 15.798 -13.532 1.00 0.00 C ATOM 0 H ILE A 60 7.851 18.685 -11.605 1.00 0.00 H new ATOM 0 HA ILE A 60 8.636 19.827 -14.071 1.00 0.00 H new ATOM 0 HB ILE A 60 6.296 18.103 -13.284 1.00 0.00 H new ATOM 0 HG12 ILE A 60 8.782 17.029 -14.646 1.00 0.00 H new ATOM 0 HG13 ILE A 60 8.815 17.309 -12.916 1.00 0.00 H new ATOM 0 HG21 ILE A 60 6.302 17.354 -15.686 1.00 0.00 H new ATOM 0 HG22 ILE A 60 5.948 19.091 -15.525 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.567 18.556 -16.033 1.00 0.00 H new ATOM 0 HD11 ILE A 60 8.117 14.984 -13.414 1.00 0.00 H new ATOM 0 HD12 ILE A 60 6.792 15.879 -12.632 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.758 15.594 -14.388 1.00 0.00 H new ATOM 626 N MET A 61 5.807 20.982 -12.787 1.00 0.00 N ATOM 627 CA MET A 61 4.843 22.084 -12.837 1.00 0.00 C ATOM 628 C MET A 61 5.542 23.458 -12.813 1.00 0.00 C ATOM 629 O MET A 61 5.343 24.258 -13.729 1.00 0.00 O ATOM 630 CB MET A 61 3.828 21.890 -11.697 1.00 0.00 C ATOM 631 CG MET A 61 2.541 22.707 -11.856 1.00 0.00 C ATOM 632 SD MET A 61 2.700 24.501 -11.625 1.00 0.00 S ATOM 633 CE MET A 61 2.069 25.072 -13.228 1.00 0.00 C ATOM 0 H MET A 61 5.685 20.377 -11.975 1.00 0.00 H new ATOM 0 HA MET A 61 4.302 22.069 -13.783 1.00 0.00 H new ATOM 0 HB2 MET A 61 3.569 20.833 -11.632 1.00 0.00 H new ATOM 0 HB3 MET A 61 4.302 22.160 -10.753 1.00 0.00 H new ATOM 0 HG2 MET A 61 2.139 22.524 -12.853 1.00 0.00 H new ATOM 0 HG3 MET A 61 1.807 22.333 -11.142 1.00 0.00 H new ATOM 0 HE1 MET A 61 2.095 26.161 -13.262 1.00 0.00 H new ATOM 0 HE2 MET A 61 2.690 24.669 -14.028 1.00 0.00 H new ATOM 0 HE3 MET A 61 1.043 24.729 -13.358 1.00 0.00 H new ATOM 643 N VAL A 62 6.426 23.714 -11.838 1.00 0.00 N ATOM 644 CA VAL A 62 7.150 24.997 -11.716 1.00 0.00 C ATOM 645 C VAL A 62 8.183 25.207 -12.828 1.00 0.00 C ATOM 646 O VAL A 62 8.335 26.320 -13.333 1.00 0.00 O ATOM 647 CB VAL A 62 7.764 25.154 -10.310 1.00 0.00 C ATOM 648 CG1 VAL A 62 8.959 24.250 -9.994 1.00 0.00 C ATOM 649 CG2 VAL A 62 8.244 26.581 -10.075 1.00 0.00 C ATOM 0 H VAL A 62 6.662 23.040 -11.110 1.00 0.00 H new ATOM 0 HA VAL A 62 6.415 25.791 -11.847 1.00 0.00 H new ATOM 0 HB VAL A 62 6.939 24.865 -9.658 1.00 0.00 H new ATOM 0 HG11 VAL A 62 9.307 24.448 -8.980 1.00 0.00 H new ATOM 0 HG12 VAL A 62 8.657 23.206 -10.077 1.00 0.00 H new ATOM 0 HG13 VAL A 62 9.765 24.452 -10.700 1.00 0.00 H new ATOM 0 HG21 VAL A 62 8.672 26.661 -9.076 1.00 0.00 H new ATOM 0 HG22 VAL A 62 9.002 26.837 -10.816 1.00 0.00 H new ATOM 0 HG23 VAL A 62 7.402 27.268 -10.165 1.00 0.00 H new ATOM 659 N LYS A 63 8.852 24.130 -13.249 1.00 0.00 N ATOM 660 CA LYS A 63 9.792 24.106 -14.382 1.00 0.00 C ATOM 661 C LYS A 63 9.119 24.043 -15.769 1.00 0.00 C ATOM 662 O LYS A 63 9.821 24.244 -16.757 1.00 0.00 O ATOM 663 CB LYS A 63 10.754 22.920 -14.226 1.00 0.00 C ATOM 664 CG LYS A 63 11.662 22.932 -12.993 1.00 0.00 C ATOM 665 CD LYS A 63 12.677 24.077 -12.946 1.00 0.00 C ATOM 666 CE LYS A 63 13.775 23.701 -11.939 1.00 0.00 C ATOM 667 NZ LYS A 63 14.936 23.042 -12.608 1.00 0.00 N ATOM 0 H LYS A 63 8.754 23.220 -12.799 1.00 0.00 H new ATOM 0 HA LYS A 63 10.326 25.056 -14.349 1.00 0.00 H new ATOM 0 HB2 LYS A 63 10.165 22.003 -14.206 1.00 0.00 H new ATOM 0 HB3 LYS A 63 11.385 22.874 -15.114 1.00 0.00 H new ATOM 0 HG2 LYS A 63 11.037 22.984 -12.101 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.202 21.986 -12.949 1.00 0.00 H new ATOM 0 HD2 LYS A 63 13.107 24.245 -13.933 1.00 0.00 H new ATOM 0 HD3 LYS A 63 12.190 25.006 -12.649 1.00 0.00 H new ATOM 0 HE2 LYS A 63 14.115 24.597 -11.420 1.00 0.00 H new ATOM 0 HE3 LYS A 63 13.362 23.032 -11.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 15.456 22.468 -11.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 14.593 22.431 -13.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 15.569 23.768 -13.000 1.00 0.00 H new ATOM 681 N GLN A 64 7.807 23.765 -15.850 1.00 0.00 N ATOM 682 CA GLN A 64 6.969 23.453 -17.016 1.00 0.00 C ATOM 683 C GLN A 64 7.694 22.547 -18.018 1.00 0.00 C ATOM 684 O GLN A 64 7.907 22.902 -19.179 1.00 0.00 O ATOM 685 CB GLN A 64 6.250 24.683 -17.592 1.00 0.00 C ATOM 686 CG GLN A 64 7.210 25.822 -17.923 1.00 0.00 C ATOM 687 CD GLN A 64 7.268 26.900 -16.839 1.00 0.00 C ATOM 688 OE1 GLN A 64 6.281 27.542 -16.498 1.00 0.00 O ATOM 689 NE2 GLN A 64 8.421 27.149 -16.256 1.00 0.00 N ATOM 0 H GLN A 64 7.245 23.753 -14.999 1.00 0.00 H new ATOM 0 HA GLN A 64 6.134 22.841 -16.675 1.00 0.00 H new ATOM 0 HB2 GLN A 64 5.710 24.394 -18.494 1.00 0.00 H new ATOM 0 HB3 GLN A 64 5.508 25.035 -16.875 1.00 0.00 H new ATOM 0 HG2 GLN A 64 8.209 25.413 -18.073 1.00 0.00 H new ATOM 0 HG3 GLN A 64 6.908 26.280 -18.865 1.00 0.00 H new ATOM 0 HE21 GLN A 64 9.253 26.625 -16.527 1.00 0.00 H new ATOM 0 HE22 GLN A 64 8.483 27.866 -15.533 1.00 0.00 H new ATOM 698 N LEU A 65 8.077 21.353 -17.543 1.00 0.00 N ATOM 699 CA LEU A 65 8.788 20.349 -18.331 1.00 0.00 C ATOM 700 C LEU A 65 7.782 19.372 -18.941 1.00 0.00 C ATOM 701 O LEU A 65 7.983 18.167 -18.885 1.00 0.00 O ATOM 702 CB LEU A 65 9.915 19.645 -17.535 1.00 0.00 C ATOM 703 CG LEU A 65 10.963 20.556 -16.890 1.00 0.00 C ATOM 704 CD1 LEU A 65 11.987 19.740 -16.113 1.00 0.00 C ATOM 705 CD2 LEU A 65 11.694 21.442 -17.896 1.00 0.00 C ATOM 0 H LEU A 65 7.896 21.058 -16.584 1.00 0.00 H new ATOM 0 HA LEU A 65 9.307 20.855 -19.145 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.455 19.044 -16.750 1.00 0.00 H new ATOM 0 HB3 LEU A 65 10.428 18.955 -18.206 1.00 0.00 H new ATOM 0 HG LEU A 65 10.410 21.209 -16.215 1.00 0.00 H new ATOM 0 HD11 LEU A 65 12.721 20.409 -15.664 1.00 0.00 H new ATOM 0 HD12 LEU A 65 11.483 19.176 -15.328 1.00 0.00 H new ATOM 0 HD13 LEU A 65 12.491 19.050 -16.789 1.00 0.00 H new ATOM 0 HD21 LEU A 65 12.422 22.062 -17.373 1.00 0.00 H new ATOM 0 HD22 LEU A 65 12.208 20.816 -18.626 1.00 0.00 H new ATOM 0 HD23 LEU A 65 10.975 22.081 -18.408 1.00 0.00 H new ATOM 717 N TYR A 66 6.660 19.878 -19.449 1.00 0.00 N ATOM 718 CA TYR A 66 5.631 19.090 -20.134 1.00 0.00 C ATOM 719 C TYR A 66 5.336 19.577 -21.566 1.00 0.00 C ATOM 720 O TYR A 66 5.782 20.653 -21.974 1.00 0.00 O ATOM 721 CB TYR A 66 4.358 19.021 -19.284 1.00 0.00 C ATOM 722 CG TYR A 66 3.874 20.353 -18.751 1.00 0.00 C ATOM 723 CD1 TYR A 66 3.368 21.341 -19.616 1.00 0.00 C ATOM 724 CD2 TYR A 66 3.963 20.605 -17.375 1.00 0.00 C ATOM 725 CE1 TYR A 66 2.955 22.587 -19.108 1.00 0.00 C ATOM 726 CE2 TYR A 66 3.555 21.850 -16.858 1.00 0.00 C ATOM 727 CZ TYR A 66 3.047 22.845 -17.722 1.00 0.00 C ATOM 728 OH TYR A 66 2.652 24.043 -17.210 1.00 0.00 O ATOM 0 H TYR A 66 6.433 20.871 -19.396 1.00 0.00 H new ATOM 0 HA TYR A 66 6.030 18.082 -20.250 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.563 18.575 -19.882 1.00 0.00 H new ATOM 0 HB3 TYR A 66 4.537 18.352 -18.442 1.00 0.00 H new ATOM 0 HD1 TYR A 66 3.296 21.142 -20.675 1.00 0.00 H new ATOM 0 HD2 TYR A 66 4.345 19.844 -16.711 1.00 0.00 H new ATOM 0 HE1 TYR A 66 2.569 23.343 -19.775 1.00 0.00 H new ATOM 0 HE2 TYR A 66 3.631 22.044 -15.798 1.00 0.00 H new ATOM 0 HH TYR A 66 2.785 24.044 -16.239 1.00 0.00 H new ATOM 738 N ASP A 67 4.562 18.802 -22.334 1.00 0.00 N ATOM 739 CA ASP A 67 4.065 19.223 -23.652 1.00 0.00 C ATOM 740 C ASP A 67 2.942 20.274 -23.534 1.00 0.00 C ATOM 741 O ASP A 67 2.091 20.224 -22.646 1.00 0.00 O ATOM 742 CB ASP A 67 3.600 18.009 -24.476 1.00 0.00 C ATOM 743 CG ASP A 67 3.563 18.252 -26.003 1.00 0.00 C ATOM 744 OD1 ASP A 67 3.488 19.424 -26.450 1.00 0.00 O ATOM 745 OD2 ASP A 67 3.588 17.256 -26.763 1.00 0.00 O ATOM 0 H ASP A 67 4.262 17.866 -22.061 1.00 0.00 H new ATOM 0 HA ASP A 67 4.895 19.695 -24.177 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.263 17.169 -24.270 1.00 0.00 H new ATOM 0 HB3 ASP A 67 2.604 17.718 -24.142 1.00 0.00 H new ATOM 750 N GLN A 68 2.907 21.195 -24.494 1.00 0.00 N ATOM 751 CA GLN A 68 1.873 22.207 -24.722 1.00 0.00 C ATOM 752 C GLN A 68 0.517 21.548 -25.036 1.00 0.00 C ATOM 753 O GLN A 68 -0.535 22.013 -24.592 1.00 0.00 O ATOM 754 CB GLN A 68 2.271 23.079 -25.935 1.00 0.00 C ATOM 755 CG GLN A 68 3.767 23.425 -26.100 1.00 0.00 C ATOM 756 CD GLN A 68 4.318 23.048 -27.478 1.00 0.00 C ATOM 757 OE1 GLN A 68 4.715 23.898 -28.266 1.00 0.00 O ATOM 758 NE2 GLN A 68 4.379 21.779 -27.839 1.00 0.00 N ATOM 0 H GLN A 68 3.655 21.260 -25.185 1.00 0.00 H new ATOM 0 HA GLN A 68 1.783 22.809 -23.818 1.00 0.00 H new ATOM 0 HB2 GLN A 68 1.941 22.568 -26.840 1.00 0.00 H new ATOM 0 HB3 GLN A 68 1.713 24.014 -25.876 1.00 0.00 H new ATOM 0 HG2 GLN A 68 3.907 24.494 -25.938 1.00 0.00 H new ATOM 0 HG3 GLN A 68 4.341 22.908 -25.331 1.00 0.00 H new ATOM 0 HE21 GLN A 68 4.055 21.051 -27.202 1.00 0.00 H new ATOM 0 HE22 GLN A 68 4.750 21.527 -28.755 1.00 0.00 H new ATOM 767 N GLN A 69 0.556 20.441 -25.789 1.00 0.00 N ATOM 768 CA GLN A 69 -0.631 19.671 -26.190 1.00 0.00 C ATOM 769 C GLN A 69 -1.119 18.695 -25.100 1.00 0.00 C ATOM 770 O GLN A 69 -2.316 18.416 -25.015 1.00 0.00 O ATOM 771 CB GLN A 69 -0.341 18.906 -27.496 1.00 0.00 C ATOM 772 CG GLN A 69 -0.554 19.742 -28.770 1.00 0.00 C ATOM 773 CD GLN A 69 0.366 20.955 -28.886 1.00 0.00 C ATOM 774 OE1 GLN A 69 -0.049 22.102 -28.774 1.00 0.00 O ATOM 775 NE2 GLN A 69 1.648 20.759 -29.113 1.00 0.00 N ATOM 0 H GLN A 69 1.428 20.048 -26.143 1.00 0.00 H new ATOM 0 HA GLN A 69 -1.436 20.389 -26.346 1.00 0.00 H new ATOM 0 HB2 GLN A 69 0.689 18.549 -27.475 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -0.982 18.026 -27.540 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -0.404 19.102 -29.640 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -1.589 20.082 -28.799 1.00 0.00 H new ATOM 0 HE21 GLN A 69 2.010 19.810 -29.209 1.00 0.00 H new ATOM 0 HE22 GLN A 69 2.279 21.556 -29.193 1.00 0.00 H new ATOM 784 N GLU A 70 -0.210 18.176 -24.267 1.00 0.00 N ATOM 785 CA GLU A 70 -0.480 17.144 -23.255 1.00 0.00 C ATOM 786 C GLU A 70 0.322 17.414 -21.971 1.00 0.00 C ATOM 787 O GLU A 70 1.464 16.984 -21.828 1.00 0.00 O ATOM 788 CB GLU A 70 -0.150 15.748 -23.822 1.00 0.00 C ATOM 789 CG GLU A 70 -1.176 15.266 -24.857 1.00 0.00 C ATOM 790 CD GLU A 70 -0.983 13.770 -25.174 1.00 0.00 C ATOM 791 OE1 GLU A 70 -1.576 12.920 -24.463 1.00 0.00 O ATOM 792 OE2 GLU A 70 -0.255 13.434 -26.139 1.00 0.00 O ATOM 0 H GLU A 70 0.766 18.471 -24.278 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.539 17.176 -23.000 1.00 0.00 H new ATOM 0 HB2 GLU A 70 0.838 15.772 -24.281 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -0.103 15.030 -23.003 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -2.185 15.434 -24.479 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -1.077 15.851 -25.772 1.00 0.00 H new ATOM 799 N GLN A 71 -0.277 18.120 -21.010 1.00 0.00 N ATOM 800 CA GLN A 71 0.378 18.517 -19.757 1.00 0.00 C ATOM 801 C GLN A 71 0.804 17.327 -18.876 1.00 0.00 C ATOM 802 O GLN A 71 1.793 17.409 -18.152 1.00 0.00 O ATOM 803 CB GLN A 71 -0.602 19.409 -18.992 1.00 0.00 C ATOM 804 CG GLN A 71 -0.563 20.881 -19.428 1.00 0.00 C ATOM 805 CD GLN A 71 -1.204 21.169 -20.786 1.00 0.00 C ATOM 806 OE1 GLN A 71 -2.375 21.513 -20.888 1.00 0.00 O ATOM 807 NE2 GLN A 71 -0.485 21.053 -21.881 1.00 0.00 N ATOM 0 H GLN A 71 -1.244 18.438 -21.079 1.00 0.00 H new ATOM 0 HA GLN A 71 1.301 19.041 -20.006 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -1.613 19.025 -19.129 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -0.380 19.348 -17.927 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.066 21.482 -18.671 1.00 0.00 H new ATOM 0 HG3 GLN A 71 0.476 21.209 -19.457 1.00 0.00 H new ATOM 0 HE21 GLN A 71 0.493 20.768 -21.821 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -0.905 21.248 -22.790 1.00 0.00 H new ATOM 816 N HIS A 72 0.082 16.207 -18.949 1.00 0.00 N ATOM 817 CA HIS A 72 0.413 14.924 -18.330 1.00 0.00 C ATOM 818 C HIS A 72 1.572 14.168 -19.022 1.00 0.00 C ATOM 819 O HIS A 72 2.069 13.192 -18.462 1.00 0.00 O ATOM 820 CB HIS A 72 -0.881 14.094 -18.308 1.00 0.00 C ATOM 821 CG HIS A 72 -1.563 14.037 -19.644 1.00 0.00 C ATOM 822 ND1 HIS A 72 -2.394 15.030 -20.161 1.00 0.00 N ATOM 823 CD2 HIS A 72 -1.325 13.101 -20.600 1.00 0.00 C ATOM 824 CE1 HIS A 72 -2.646 14.671 -21.426 1.00 0.00 C ATOM 825 NE2 HIS A 72 -2.022 13.513 -21.719 1.00 0.00 N ATOM 0 H HIS A 72 -0.795 16.170 -19.469 1.00 0.00 H new ATOM 0 HA HIS A 72 0.788 15.102 -17.322 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -0.651 13.080 -17.980 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -1.566 14.518 -17.574 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -0.715 12.215 -20.504 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -3.262 15.230 -22.114 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -2.058 13.025 -22.614 1.00 0.00 H new ATOM 833 N MET A 73 2.023 14.601 -20.206 1.00 0.00 N ATOM 834 CA MET A 73 3.210 14.082 -20.900 1.00 0.00 C ATOM 835 C MET A 73 4.426 14.969 -20.592 1.00 0.00 C ATOM 836 O MET A 73 4.413 16.176 -20.840 1.00 0.00 O ATOM 837 CB MET A 73 2.933 13.984 -22.409 1.00 0.00 C ATOM 838 CG MET A 73 4.116 13.400 -23.187 1.00 0.00 C ATOM 839 SD MET A 73 4.571 11.708 -22.728 1.00 0.00 S ATOM 840 CE MET A 73 6.071 11.539 -23.725 1.00 0.00 C ATOM 0 H MET A 73 1.557 15.346 -20.724 1.00 0.00 H new ATOM 0 HA MET A 73 3.437 13.078 -20.542 1.00 0.00 H new ATOM 0 HB2 MET A 73 2.052 13.363 -22.574 1.00 0.00 H new ATOM 0 HB3 MET A 73 2.701 14.976 -22.797 1.00 0.00 H new ATOM 0 HG2 MET A 73 3.878 13.421 -24.251 1.00 0.00 H new ATOM 0 HG3 MET A 73 4.982 14.046 -23.041 1.00 0.00 H new ATOM 0 HE1 MET A 73 6.631 10.665 -23.394 1.00 0.00 H new ATOM 0 HE2 MET A 73 5.799 11.420 -24.774 1.00 0.00 H new ATOM 0 HE3 MET A 73 6.688 12.430 -23.609 1.00 0.00 H new ATOM 850 N VAL A 74 5.488 14.370 -20.055 1.00 0.00 N ATOM 851 CA VAL A 74 6.655 15.065 -19.487 1.00 0.00 C ATOM 852 C VAL A 74 7.859 14.993 -20.451 1.00 0.00 C ATOM 853 O VAL A 74 8.091 13.972 -21.098 1.00 0.00 O ATOM 854 CB VAL A 74 6.989 14.451 -18.108 1.00 0.00 C ATOM 855 CG1 VAL A 74 8.134 15.194 -17.418 1.00 0.00 C ATOM 856 CG2 VAL A 74 5.777 14.483 -17.161 1.00 0.00 C ATOM 0 H VAL A 74 5.568 13.355 -19.999 1.00 0.00 H new ATOM 0 HA VAL A 74 6.421 16.121 -19.351 1.00 0.00 H new ATOM 0 HB VAL A 74 7.280 13.420 -18.307 1.00 0.00 H new ATOM 0 HG11 VAL A 74 8.338 14.732 -16.452 1.00 0.00 H new ATOM 0 HG12 VAL A 74 9.028 15.144 -18.040 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.854 16.237 -17.269 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.052 14.043 -16.203 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.461 15.515 -17.009 1.00 0.00 H new ATOM 0 HG23 VAL A 74 4.957 13.914 -17.600 1.00 0.00 H new ATOM 866 N TYR A 75 8.636 16.076 -20.510 1.00 0.00 N ATOM 867 CA TYR A 75 9.813 16.336 -21.352 1.00 0.00 C ATOM 868 C TYR A 75 10.894 17.094 -20.537 1.00 0.00 C ATOM 869 O TYR A 75 11.085 18.303 -20.675 1.00 0.00 O ATOM 870 CB TYR A 75 9.363 17.120 -22.597 1.00 0.00 C ATOM 871 CG TYR A 75 8.702 16.227 -23.625 1.00 0.00 C ATOM 872 CD1 TYR A 75 9.492 15.272 -24.291 1.00 0.00 C ATOM 873 CD2 TYR A 75 7.321 16.308 -23.886 1.00 0.00 C ATOM 874 CE1 TYR A 75 8.907 14.386 -25.209 1.00 0.00 C ATOM 875 CE2 TYR A 75 6.735 15.433 -24.822 1.00 0.00 C ATOM 876 CZ TYR A 75 7.524 14.469 -25.486 1.00 0.00 C ATOM 877 OH TYR A 75 6.947 13.625 -26.387 1.00 0.00 O ATOM 0 H TYR A 75 8.439 16.876 -19.909 1.00 0.00 H new ATOM 0 HA TYR A 75 10.265 15.400 -21.681 1.00 0.00 H new ATOM 0 HB2 TYR A 75 8.668 17.905 -22.299 1.00 0.00 H new ATOM 0 HB3 TYR A 75 10.226 17.612 -23.046 1.00 0.00 H new ATOM 0 HD1 TYR A 75 10.553 15.221 -24.095 1.00 0.00 H new ATOM 0 HD2 TYR A 75 6.713 17.038 -23.371 1.00 0.00 H new ATOM 0 HE1 TYR A 75 9.513 13.641 -25.703 1.00 0.00 H new ATOM 0 HE2 TYR A 75 5.678 15.500 -25.032 1.00 0.00 H new ATOM 0 HH TYR A 75 5.989 13.822 -26.453 1.00 0.00 H new ATOM 887 N CYS A 76 11.605 16.371 -19.664 1.00 0.00 N ATOM 888 CA CYS A 76 12.684 16.836 -18.775 1.00 0.00 C ATOM 889 C CYS A 76 14.080 16.973 -19.419 1.00 0.00 C ATOM 890 O CYS A 76 15.081 17.080 -18.703 1.00 0.00 O ATOM 891 CB CYS A 76 12.736 15.920 -17.540 1.00 0.00 C ATOM 892 SG CYS A 76 11.306 16.214 -16.464 1.00 0.00 S ATOM 0 H CYS A 76 11.431 15.372 -19.550 1.00 0.00 H new ATOM 0 HA CYS A 76 12.428 17.860 -18.504 1.00 0.00 H new ATOM 0 HB2 CYS A 76 12.752 14.877 -17.855 1.00 0.00 H new ATOM 0 HB3 CYS A 76 13.657 16.100 -16.986 1.00 0.00 H new ATOM 0 HG CYS A 76 11.372 15.428 -15.431 1.00 0.00 H new ATOM 898 N GLY A 77 14.183 16.955 -20.750 1.00 0.00 N ATOM 899 CA GLY A 77 15.469 17.050 -21.448 1.00 0.00 C ATOM 900 C GLY A 77 16.286 18.287 -21.043 1.00 0.00 C ATOM 901 O GLY A 77 15.805 19.419 -21.134 1.00 0.00 O ATOM 0 H GLY A 77 13.380 16.874 -21.374 1.00 0.00 H new ATOM 0 HA2 GLY A 77 16.054 16.153 -21.243 1.00 0.00 H new ATOM 0 HA3 GLY A 77 15.291 17.076 -22.523 1.00 0.00 H new ATOM 905 N GLY A 78 17.518 18.058 -20.577 1.00 0.00 N ATOM 906 CA GLY A 78 18.437 19.092 -20.080 1.00 0.00 C ATOM 907 C GLY A 78 18.279 19.476 -18.597 1.00 0.00 C ATOM 908 O GLY A 78 19.078 20.277 -18.105 1.00 0.00 O ATOM 0 H GLY A 78 17.917 17.120 -20.533 1.00 0.00 H new ATOM 0 HA2 GLY A 78 19.459 18.749 -20.240 1.00 0.00 H new ATOM 0 HA3 GLY A 78 18.304 19.990 -20.684 1.00 0.00 H new ATOM 912 N ASP A 79 17.306 18.917 -17.865 1.00 0.00 N ATOM 913 CA ASP A 79 17.108 19.154 -16.424 1.00 0.00 C ATOM 914 C ASP A 79 17.665 18.008 -15.553 1.00 0.00 C ATOM 915 O ASP A 79 17.833 16.879 -16.025 1.00 0.00 O ATOM 916 CB ASP A 79 15.617 19.419 -16.149 1.00 0.00 C ATOM 917 CG ASP A 79 15.339 20.912 -15.911 1.00 0.00 C ATOM 918 OD1 ASP A 79 15.440 21.724 -16.860 1.00 0.00 O ATOM 919 OD2 ASP A 79 15.034 21.267 -14.748 1.00 0.00 O ATOM 0 H ASP A 79 16.620 18.275 -18.263 1.00 0.00 H new ATOM 0 HA ASP A 79 17.680 20.037 -16.140 1.00 0.00 H new ATOM 0 HB2 ASP A 79 15.023 19.068 -16.993 1.00 0.00 H new ATOM 0 HB3 ASP A 79 15.300 18.846 -15.277 1.00 0.00 H new ATOM 924 N LEU A 80 17.912 18.272 -14.258 1.00 0.00 N ATOM 925 CA LEU A 80 18.486 17.288 -13.325 1.00 0.00 C ATOM 926 C LEU A 80 17.612 16.041 -13.229 1.00 0.00 C ATOM 927 O LEU A 80 18.112 14.920 -13.270 1.00 0.00 O ATOM 928 CB LEU A 80 18.596 17.913 -11.925 1.00 0.00 C ATOM 929 CG LEU A 80 19.484 17.141 -10.928 1.00 0.00 C ATOM 930 CD1 LEU A 80 20.906 16.885 -11.425 1.00 0.00 C ATOM 931 CD2 LEU A 80 19.603 17.952 -9.636 1.00 0.00 C ATOM 0 H LEU A 80 17.718 19.177 -13.828 1.00 0.00 H new ATOM 0 HA LEU A 80 19.469 17.004 -13.700 1.00 0.00 H new ATOM 0 HB2 LEU A 80 18.987 18.925 -12.026 1.00 0.00 H new ATOM 0 HB3 LEU A 80 17.594 17.999 -11.503 1.00 0.00 H new ATOM 0 HG LEU A 80 19.000 16.175 -10.785 1.00 0.00 H new ATOM 0 HD11 LEU A 80 21.464 16.338 -10.665 1.00 0.00 H new ATOM 0 HD12 LEU A 80 20.871 16.298 -12.343 1.00 0.00 H new ATOM 0 HD13 LEU A 80 21.399 17.837 -11.622 1.00 0.00 H new ATOM 0 HD21 LEU A 80 20.229 17.414 -8.925 1.00 0.00 H new ATOM 0 HD22 LEU A 80 20.052 18.921 -9.855 1.00 0.00 H new ATOM 0 HD23 LEU A 80 18.612 18.100 -9.207 1.00 0.00 H new ATOM 943 N LEU A 81 16.293 16.255 -13.141 1.00 0.00 N ATOM 944 CA LEU A 81 15.319 15.172 -13.152 1.00 0.00 C ATOM 945 C LEU A 81 15.456 14.256 -14.393 1.00 0.00 C ATOM 946 O LEU A 81 15.444 13.033 -14.265 1.00 0.00 O ATOM 947 CB LEU A 81 13.914 15.794 -13.005 1.00 0.00 C ATOM 948 CG LEU A 81 12.735 14.799 -13.047 1.00 0.00 C ATOM 949 CD1 LEU A 81 12.909 13.613 -12.094 1.00 0.00 C ATOM 950 CD2 LEU A 81 11.448 15.536 -12.673 1.00 0.00 C ATOM 0 H LEU A 81 15.878 17.183 -13.061 1.00 0.00 H new ATOM 0 HA LEU A 81 15.503 14.504 -12.311 1.00 0.00 H new ATOM 0 HB2 LEU A 81 13.874 16.337 -12.061 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.776 16.527 -13.800 1.00 0.00 H new ATOM 0 HG LEU A 81 12.694 14.400 -14.060 1.00 0.00 H new ATOM 0 HD11 LEU A 81 12.045 12.953 -12.173 1.00 0.00 H new ATOM 0 HD12 LEU A 81 13.812 13.063 -12.359 1.00 0.00 H new ATOM 0 HD13 LEU A 81 12.994 13.978 -11.070 1.00 0.00 H new ATOM 0 HD21 LEU A 81 10.609 14.840 -12.700 1.00 0.00 H new ATOM 0 HD22 LEU A 81 11.544 15.950 -11.669 1.00 0.00 H new ATOM 0 HD23 LEU A 81 11.272 16.344 -13.383 1.00 0.00 H new ATOM 962 N GLY A 82 15.659 14.831 -15.583 1.00 0.00 N ATOM 963 CA GLY A 82 15.893 14.075 -16.823 1.00 0.00 C ATOM 964 C GLY A 82 17.229 13.322 -16.823 1.00 0.00 C ATOM 965 O GLY A 82 17.290 12.155 -17.217 1.00 0.00 O ATOM 0 H GLY A 82 15.666 15.842 -15.716 1.00 0.00 H new ATOM 0 HA2 GLY A 82 15.081 13.362 -16.966 1.00 0.00 H new ATOM 0 HA3 GLY A 82 15.869 14.761 -17.670 1.00 0.00 H new ATOM 969 N GLU A 83 18.292 13.942 -16.304 1.00 0.00 N ATOM 970 CA GLU A 83 19.609 13.304 -16.175 1.00 0.00 C ATOM 971 C GLU A 83 19.570 12.111 -15.201 1.00 0.00 C ATOM 972 O GLU A 83 20.171 11.069 -15.475 1.00 0.00 O ATOM 973 CB GLU A 83 20.679 14.367 -15.842 1.00 0.00 C ATOM 974 CG GLU A 83 21.446 14.185 -14.525 1.00 0.00 C ATOM 975 CD GLU A 83 22.628 15.173 -14.413 1.00 0.00 C ATOM 976 OE1 GLU A 83 22.447 16.398 -14.622 1.00 0.00 O ATOM 977 OE2 GLU A 83 23.763 14.726 -14.114 1.00 0.00 O ATOM 0 H GLU A 83 18.266 14.902 -15.960 1.00 0.00 H new ATOM 0 HA GLU A 83 19.897 12.866 -17.131 1.00 0.00 H new ATOM 0 HB2 GLU A 83 21.403 14.388 -16.657 1.00 0.00 H new ATOM 0 HB3 GLU A 83 20.194 15.343 -15.821 1.00 0.00 H new ATOM 0 HG2 GLU A 83 20.767 14.332 -13.685 1.00 0.00 H new ATOM 0 HG3 GLU A 83 21.818 13.163 -14.459 1.00 0.00 H new ATOM 984 N LEU A 84 18.806 12.228 -14.108 1.00 0.00 N ATOM 985 CA LEU A 84 18.554 11.146 -13.162 1.00 0.00 C ATOM 986 C LEU A 84 17.742 9.995 -13.782 1.00 0.00 C ATOM 987 O LEU A 84 18.085 8.824 -13.609 1.00 0.00 O ATOM 988 CB LEU A 84 17.838 11.742 -11.941 1.00 0.00 C ATOM 989 CG LEU A 84 17.412 10.687 -10.909 1.00 0.00 C ATOM 990 CD1 LEU A 84 18.621 9.994 -10.286 1.00 0.00 C ATOM 991 CD2 LEU A 84 16.608 11.371 -9.817 1.00 0.00 C ATOM 0 H LEU A 84 18.338 13.098 -13.856 1.00 0.00 H new ATOM 0 HA LEU A 84 19.505 10.704 -12.865 1.00 0.00 H new ATOM 0 HB2 LEU A 84 18.497 12.465 -11.460 1.00 0.00 H new ATOM 0 HB3 LEU A 84 16.956 12.288 -12.277 1.00 0.00 H new ATOM 0 HG LEU A 84 16.813 9.929 -11.414 1.00 0.00 H new ATOM 0 HD11 LEU A 84 18.283 9.254 -9.561 1.00 0.00 H new ATOM 0 HD12 LEU A 84 19.199 9.499 -11.067 1.00 0.00 H new ATOM 0 HD13 LEU A 84 19.246 10.733 -9.785 1.00 0.00 H new ATOM 0 HD21 LEU A 84 16.299 10.633 -9.077 1.00 0.00 H new ATOM 0 HD22 LEU A 84 17.222 12.132 -9.336 1.00 0.00 H new ATOM 0 HD23 LEU A 84 15.726 11.839 -10.254 1.00 0.00 H new ATOM 1003 N LEU A 85 16.675 10.331 -14.513 1.00 0.00 N ATOM 1004 CA LEU A 85 15.860 9.368 -15.266 1.00 0.00 C ATOM 1005 C LEU A 85 16.679 8.658 -16.367 1.00 0.00 C ATOM 1006 O LEU A 85 16.390 7.507 -16.697 1.00 0.00 O ATOM 1007 CB LEU A 85 14.642 10.111 -15.859 1.00 0.00 C ATOM 1008 CG LEU A 85 13.501 10.320 -14.852 1.00 0.00 C ATOM 1009 CD1 LEU A 85 12.562 11.414 -15.351 1.00 0.00 C ATOM 1010 CD2 LEU A 85 12.673 9.047 -14.653 1.00 0.00 C ATOM 0 H LEU A 85 16.347 11.293 -14.601 1.00 0.00 H new ATOM 0 HA LEU A 85 15.517 8.585 -14.590 1.00 0.00 H new ATOM 0 HB2 LEU A 85 14.966 11.081 -16.235 1.00 0.00 H new ATOM 0 HB3 LEU A 85 14.264 9.549 -16.713 1.00 0.00 H new ATOM 0 HG LEU A 85 13.961 10.598 -13.904 1.00 0.00 H new ATOM 0 HD11 LEU A 85 11.755 11.557 -14.632 1.00 0.00 H new ATOM 0 HD12 LEU A 85 13.116 12.346 -15.464 1.00 0.00 H new ATOM 0 HD13 LEU A 85 12.142 11.122 -16.314 1.00 0.00 H new ATOM 0 HD21 LEU A 85 11.877 9.239 -13.933 1.00 0.00 H new ATOM 0 HD22 LEU A 85 12.236 8.745 -15.605 1.00 0.00 H new ATOM 0 HD23 LEU A 85 13.315 8.250 -14.279 1.00 0.00 H new ATOM 1022 N GLY A 86 17.695 9.327 -16.932 1.00 0.00 N ATOM 1023 CA GLY A 86 18.506 8.828 -18.057 1.00 0.00 C ATOM 1024 C GLY A 86 17.788 8.923 -19.414 1.00 0.00 C ATOM 1025 O GLY A 86 18.180 8.272 -20.386 1.00 0.00 O ATOM 0 H GLY A 86 17.984 10.252 -16.613 1.00 0.00 H new ATOM 0 HA2 GLY A 86 19.436 9.395 -18.105 1.00 0.00 H new ATOM 0 HA3 GLY A 86 18.776 7.789 -17.869 1.00 0.00 H new ATOM 1029 N ARG A 87 16.702 9.704 -19.448 1.00 0.00 N ATOM 1030 CA ARG A 87 15.724 9.880 -20.532 1.00 0.00 C ATOM 1031 C ARG A 87 15.030 11.225 -20.349 1.00 0.00 C ATOM 1032 O ARG A 87 14.795 11.667 -19.225 1.00 0.00 O ATOM 1033 CB ARG A 87 14.724 8.701 -20.553 1.00 0.00 C ATOM 1034 CG ARG A 87 13.973 8.539 -19.223 1.00 0.00 C ATOM 1035 CD ARG A 87 13.137 7.270 -19.103 1.00 0.00 C ATOM 1036 NE ARG A 87 12.048 7.258 -20.094 1.00 0.00 N ATOM 1037 CZ ARG A 87 11.717 6.320 -20.962 1.00 0.00 C ATOM 1038 NH1 ARG A 87 12.319 5.167 -21.024 1.00 0.00 N ATOM 1039 NH2 ARG A 87 10.747 6.557 -21.794 1.00 0.00 N ATOM 0 H ARG A 87 16.462 10.283 -18.643 1.00 0.00 H new ATOM 0 HA ARG A 87 16.225 9.880 -21.500 1.00 0.00 H new ATOM 0 HB2 ARG A 87 14.003 8.855 -21.356 1.00 0.00 H new ATOM 0 HB3 ARG A 87 15.260 7.779 -20.778 1.00 0.00 H new ATOM 0 HG2 ARG A 87 14.698 8.556 -18.410 1.00 0.00 H new ATOM 0 HG3 ARG A 87 13.320 9.400 -19.085 1.00 0.00 H new ATOM 0 HD2 ARG A 87 13.773 6.397 -19.246 1.00 0.00 H new ATOM 0 HD3 ARG A 87 12.720 7.199 -18.098 1.00 0.00 H new ATOM 0 HE ARG A 87 11.465 8.095 -20.113 1.00 0.00 H new ATOM 0 HH11 ARG A 87 13.084 4.956 -20.383 1.00 0.00 H new ATOM 0 HH12 ARG A 87 12.026 4.475 -21.713 1.00 0.00 H new ATOM 0 HH21 ARG A 87 10.259 7.453 -21.767 1.00 0.00 H new ATOM 0 HH22 ARG A 87 10.473 5.847 -22.474 1.00 0.00 H new ATOM 1053 N GLN A 88 14.669 11.854 -21.459 1.00 0.00 N ATOM 1054 CA GLN A 88 13.951 13.130 -21.447 1.00 0.00 C ATOM 1055 C GLN A 88 12.464 12.956 -21.147 1.00 0.00 C ATOM 1056 O GLN A 88 11.848 13.928 -20.737 1.00 0.00 O ATOM 1057 CB GLN A 88 14.071 13.831 -22.812 1.00 0.00 C ATOM 1058 CG GLN A 88 15.495 13.958 -23.379 1.00 0.00 C ATOM 1059 CD GLN A 88 15.590 15.018 -24.482 1.00 0.00 C ATOM 1060 OE1 GLN A 88 16.555 15.766 -24.575 1.00 0.00 O ATOM 1061 NE2 GLN A 88 14.604 15.144 -25.351 1.00 0.00 N ATOM 0 H GLN A 88 14.863 11.498 -22.395 1.00 0.00 H new ATOM 0 HA GLN A 88 14.409 13.728 -20.659 1.00 0.00 H new ATOM 0 HB2 GLN A 88 13.461 13.287 -23.533 1.00 0.00 H new ATOM 0 HB3 GLN A 88 13.645 14.831 -22.724 1.00 0.00 H new ATOM 0 HG2 GLN A 88 16.183 14.213 -22.573 1.00 0.00 H new ATOM 0 HG3 GLN A 88 15.813 12.994 -23.776 1.00 0.00 H new ATOM 0 HE21 GLN A 88 13.791 14.531 -25.292 1.00 0.00 H new ATOM 0 HE22 GLN A 88 14.656 15.854 -26.081 1.00 0.00 H new ATOM 1070 N SER A 89 11.864 11.777 -21.340 1.00 0.00 N ATOM 1071 CA SER A 89 10.390 11.687 -21.309 1.00 0.00 C ATOM 1072 C SER A 89 9.765 10.432 -20.703 1.00 0.00 C ATOM 1073 O SER A 89 10.309 9.329 -20.752 1.00 0.00 O ATOM 1074 CB SER A 89 9.850 11.886 -22.733 1.00 0.00 C ATOM 1075 OG SER A 89 10.341 10.878 -23.610 1.00 0.00 O ATOM 0 H SER A 89 12.350 10.897 -21.514 1.00 0.00 H new ATOM 0 HA SER A 89 10.093 12.477 -20.619 1.00 0.00 H new ATOM 0 HB2 SER A 89 8.760 11.862 -22.719 1.00 0.00 H new ATOM 0 HB3 SER A 89 10.142 12.869 -23.103 1.00 0.00 H new ATOM 0 HG SER A 89 9.982 11.025 -24.510 1.00 0.00 H new ATOM 1081 N PHE A 90 8.580 10.639 -20.132 1.00 0.00 N ATOM 1082 CA PHE A 90 7.652 9.664 -19.549 1.00 0.00 C ATOM 1083 C PHE A 90 6.269 10.344 -19.427 1.00 0.00 C ATOM 1084 O PHE A 90 6.130 11.532 -19.731 1.00 0.00 O ATOM 1085 CB PHE A 90 8.172 9.197 -18.176 1.00 0.00 C ATOM 1086 CG PHE A 90 8.252 10.290 -17.129 1.00 0.00 C ATOM 1087 CD1 PHE A 90 9.343 11.178 -17.126 1.00 0.00 C ATOM 1088 CD2 PHE A 90 7.222 10.446 -16.183 1.00 0.00 C ATOM 1089 CE1 PHE A 90 9.404 12.219 -16.186 1.00 0.00 C ATOM 1090 CE2 PHE A 90 7.289 11.479 -15.233 1.00 0.00 C ATOM 1091 CZ PHE A 90 8.389 12.358 -15.220 1.00 0.00 C ATOM 0 H PHE A 90 8.207 11.585 -20.057 1.00 0.00 H new ATOM 0 HA PHE A 90 7.569 8.780 -20.181 1.00 0.00 H new ATOM 0 HB2 PHE A 90 7.522 8.404 -17.806 1.00 0.00 H new ATOM 0 HB3 PHE A 90 9.163 8.762 -18.306 1.00 0.00 H new ATOM 0 HD1 PHE A 90 10.136 11.059 -17.849 1.00 0.00 H new ATOM 0 HD2 PHE A 90 6.379 9.771 -16.187 1.00 0.00 H new ATOM 0 HE1 PHE A 90 10.230 12.914 -16.204 1.00 0.00 H new ATOM 0 HE2 PHE A 90 6.495 11.599 -14.511 1.00 0.00 H new ATOM 0 HZ PHE A 90 8.454 13.135 -14.473 1.00 0.00 H new ATOM 1101 N SER A 91 5.244 9.627 -18.965 1.00 0.00 N ATOM 1102 CA SER A 91 3.892 10.180 -18.790 1.00 0.00 C ATOM 1103 C SER A 91 3.321 9.875 -17.408 1.00 0.00 C ATOM 1104 O SER A 91 3.631 8.855 -16.800 1.00 0.00 O ATOM 1105 CB SER A 91 2.974 9.625 -19.885 1.00 0.00 C ATOM 1106 OG SER A 91 1.635 10.054 -19.696 1.00 0.00 O ATOM 0 H SER A 91 5.323 8.645 -18.700 1.00 0.00 H new ATOM 0 HA SER A 91 3.955 11.265 -18.874 1.00 0.00 H new ATOM 0 HB2 SER A 91 3.329 9.952 -20.862 1.00 0.00 H new ATOM 0 HB3 SER A 91 3.014 8.536 -19.880 1.00 0.00 H new ATOM 0 HG SER A 91 1.071 9.688 -20.408 1.00 0.00 H new ATOM 1112 N VAL A 92 2.412 10.726 -16.940 1.00 0.00 N ATOM 1113 CA VAL A 92 1.558 10.496 -15.758 1.00 0.00 C ATOM 1114 C VAL A 92 0.751 9.189 -15.927 1.00 0.00 C ATOM 1115 O VAL A 92 0.435 8.524 -14.939 1.00 0.00 O ATOM 1116 CB VAL A 92 0.628 11.716 -15.641 1.00 0.00 C ATOM 1117 CG1 VAL A 92 -0.643 11.592 -14.807 1.00 0.00 C ATOM 1118 CG2 VAL A 92 1.384 12.971 -15.193 1.00 0.00 C ATOM 0 H VAL A 92 2.237 11.628 -17.382 1.00 0.00 H new ATOM 0 HA VAL A 92 2.154 10.384 -14.852 1.00 0.00 H new ATOM 0 HB VAL A 92 0.272 11.790 -16.668 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -1.185 12.537 -14.827 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -1.273 10.804 -15.219 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.380 11.346 -13.778 1.00 0.00 H new ATOM 0 HG21 VAL A 92 0.690 13.808 -15.123 1.00 0.00 H new ATOM 0 HG22 VAL A 92 1.838 12.794 -14.218 1.00 0.00 H new ATOM 0 HG23 VAL A 92 2.163 13.205 -15.919 1.00 0.00 H new ATOM 1128 N LYS A 93 0.466 8.792 -17.182 1.00 0.00 N ATOM 1129 CA LYS A 93 -0.209 7.536 -17.571 1.00 0.00 C ATOM 1130 C LYS A 93 0.751 6.365 -17.872 1.00 0.00 C ATOM 1131 O LYS A 93 0.299 5.231 -18.027 1.00 0.00 O ATOM 1132 CB LYS A 93 -1.130 7.808 -18.778 1.00 0.00 C ATOM 1133 CG LYS A 93 -2.250 8.824 -18.483 1.00 0.00 C ATOM 1134 CD LYS A 93 -3.171 8.981 -19.706 1.00 0.00 C ATOM 1135 CE LYS A 93 -4.414 9.844 -19.431 1.00 0.00 C ATOM 1136 NZ LYS A 93 -4.103 11.295 -19.285 1.00 0.00 N ATOM 0 H LYS A 93 0.711 9.364 -17.991 1.00 0.00 H new ATOM 0 HA LYS A 93 -0.791 7.213 -16.708 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -0.527 8.175 -19.609 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -1.579 6.869 -19.101 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -2.832 8.493 -17.622 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -1.815 9.789 -18.222 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -2.603 9.425 -20.524 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -3.490 7.994 -20.040 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -5.127 9.712 -20.245 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -4.900 9.490 -18.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -4.981 11.821 -19.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -3.445 11.431 -18.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -3.665 11.646 -20.161 1.00 0.00 H new ATOM 1150 N ASP A 94 2.061 6.619 -17.944 1.00 0.00 N ATOM 1151 CA ASP A 94 3.128 5.620 -18.144 1.00 0.00 C ATOM 1152 C ASP A 94 4.413 6.045 -17.383 1.00 0.00 C ATOM 1153 O ASP A 94 5.372 6.531 -17.997 1.00 0.00 O ATOM 1154 CB ASP A 94 3.364 5.429 -19.654 1.00 0.00 C ATOM 1155 CG ASP A 94 4.423 4.354 -19.962 1.00 0.00 C ATOM 1156 OD1 ASP A 94 4.497 3.335 -19.232 1.00 0.00 O ATOM 1157 OD2 ASP A 94 5.161 4.502 -20.967 1.00 0.00 O ATOM 0 H ASP A 94 2.428 7.567 -17.861 1.00 0.00 H new ATOM 0 HA ASP A 94 2.828 4.657 -17.731 1.00 0.00 H new ATOM 0 HB2 ASP A 94 2.424 5.154 -20.132 1.00 0.00 H new ATOM 0 HB3 ASP A 94 3.678 6.377 -20.091 1.00 0.00 H new ATOM 1162 N PRO A 95 4.428 5.918 -16.037 1.00 0.00 N ATOM 1163 CA PRO A 95 5.463 6.496 -15.170 1.00 0.00 C ATOM 1164 C PRO A 95 6.593 5.550 -14.737 1.00 0.00 C ATOM 1165 O PRO A 95 7.464 5.960 -13.967 1.00 0.00 O ATOM 1166 CB PRO A 95 4.663 6.976 -13.964 1.00 0.00 C ATOM 1167 CG PRO A 95 3.646 5.853 -13.775 1.00 0.00 C ATOM 1168 CD PRO A 95 3.299 5.482 -15.215 1.00 0.00 C ATOM 0 HA PRO A 95 6.013 7.269 -15.707 1.00 0.00 H new ATOM 0 HB2 PRO A 95 5.293 7.105 -13.084 1.00 0.00 H new ATOM 0 HB3 PRO A 95 4.179 7.934 -14.153 1.00 0.00 H new ATOM 0 HG2 PRO A 95 4.068 5.010 -13.228 1.00 0.00 H new ATOM 0 HG3 PRO A 95 2.770 6.187 -13.219 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.140 4.408 -15.312 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.377 5.971 -15.531 1.00 0.00 H new ATOM 1176 N SER A 96 6.595 4.296 -15.196 1.00 0.00 N ATOM 1177 CA SER A 96 7.493 3.213 -14.750 1.00 0.00 C ATOM 1178 C SER A 96 8.972 3.588 -14.511 1.00 0.00 C ATOM 1179 O SER A 96 9.496 3.192 -13.464 1.00 0.00 O ATOM 1180 CB SER A 96 7.418 2.041 -15.738 1.00 0.00 C ATOM 1181 OG SER A 96 6.074 1.596 -15.866 1.00 0.00 O ATOM 0 H SER A 96 5.945 3.988 -15.920 1.00 0.00 H new ATOM 0 HA SER A 96 7.118 2.947 -13.762 1.00 0.00 H new ATOM 0 HB2 SER A 96 7.801 2.350 -16.711 1.00 0.00 H new ATOM 0 HB3 SER A 96 8.049 1.222 -15.392 1.00 0.00 H new ATOM 0 HG SER A 96 6.036 0.849 -16.500 1.00 0.00 H new ATOM 1187 N PRO A 97 9.672 4.365 -15.373 1.00 0.00 N ATOM 1188 CA PRO A 97 11.079 4.700 -15.127 1.00 0.00 C ATOM 1189 C PRO A 97 11.317 5.593 -13.896 1.00 0.00 C ATOM 1190 O PRO A 97 12.420 5.563 -13.351 1.00 0.00 O ATOM 1191 CB PRO A 97 11.582 5.358 -16.414 1.00 0.00 C ATOM 1192 CG PRO A 97 10.315 5.933 -17.041 1.00 0.00 C ATOM 1193 CD PRO A 97 9.270 4.883 -16.681 1.00 0.00 C ATOM 0 HA PRO A 97 11.631 3.792 -14.884 1.00 0.00 H new ATOM 0 HB2 PRO A 97 12.316 6.137 -16.206 1.00 0.00 H new ATOM 0 HB3 PRO A 97 12.063 4.635 -17.073 1.00 0.00 H new ATOM 0 HG2 PRO A 97 10.066 6.912 -16.631 1.00 0.00 H new ATOM 0 HG3 PRO A 97 10.414 6.055 -18.120 1.00 0.00 H new ATOM 0 HD2 PRO A 97 8.272 5.320 -16.640 1.00 0.00 H new ATOM 0 HD3 PRO A 97 9.240 4.088 -17.426 1.00 0.00 H new ATOM 1201 N LEU A 98 10.318 6.343 -13.402 1.00 0.00 N ATOM 1202 CA LEU A 98 10.454 7.103 -12.154 1.00 0.00 C ATOM 1203 C LEU A 98 10.537 6.139 -10.955 1.00 0.00 C ATOM 1204 O LEU A 98 11.466 6.198 -10.147 1.00 0.00 O ATOM 1205 CB LEU A 98 9.355 8.196 -12.080 1.00 0.00 C ATOM 1206 CG LEU A 98 8.054 7.939 -11.290 1.00 0.00 C ATOM 1207 CD1 LEU A 98 8.210 8.085 -9.770 1.00 0.00 C ATOM 1208 CD2 LEU A 98 6.999 8.962 -11.711 1.00 0.00 C ATOM 0 H LEU A 98 9.407 6.438 -13.851 1.00 0.00 H new ATOM 0 HA LEU A 98 11.393 7.655 -12.123 1.00 0.00 H new ATOM 0 HB2 LEU A 98 9.816 9.090 -11.660 1.00 0.00 H new ATOM 0 HB3 LEU A 98 9.069 8.436 -13.104 1.00 0.00 H new ATOM 0 HG LEU A 98 7.773 6.910 -11.514 1.00 0.00 H new ATOM 0 HD11 LEU A 98 7.253 7.889 -9.286 1.00 0.00 H new ATOM 0 HD12 LEU A 98 8.952 7.372 -9.410 1.00 0.00 H new ATOM 0 HD13 LEU A 98 8.536 9.098 -9.533 1.00 0.00 H new ATOM 0 HD21 LEU A 98 6.078 8.784 -11.156 1.00 0.00 H new ATOM 0 HD22 LEU A 98 7.362 9.968 -11.499 1.00 0.00 H new ATOM 0 HD23 LEU A 98 6.803 8.864 -12.779 1.00 0.00 H new ATOM 1220 N TYR A 99 9.623 5.168 -10.892 1.00 0.00 N ATOM 1221 CA TYR A 99 9.628 4.144 -9.850 1.00 0.00 C ATOM 1222 C TYR A 99 10.939 3.357 -9.894 1.00 0.00 C ATOM 1223 O TYR A 99 11.580 3.178 -8.865 1.00 0.00 O ATOM 1224 CB TYR A 99 8.406 3.230 -10.017 1.00 0.00 C ATOM 1225 CG TYR A 99 7.083 3.907 -9.708 1.00 0.00 C ATOM 1226 CD1 TYR A 99 6.435 4.678 -10.692 1.00 0.00 C ATOM 1227 CD2 TYR A 99 6.507 3.778 -8.428 1.00 0.00 C ATOM 1228 CE1 TYR A 99 5.231 5.341 -10.392 1.00 0.00 C ATOM 1229 CE2 TYR A 99 5.276 4.400 -8.139 1.00 0.00 C ATOM 1230 CZ TYR A 99 4.629 5.178 -9.126 1.00 0.00 C ATOM 1231 OH TYR A 99 3.421 5.753 -8.874 1.00 0.00 O ATOM 0 H TYR A 99 8.860 5.071 -11.562 1.00 0.00 H new ATOM 0 HA TYR A 99 9.562 4.615 -8.869 1.00 0.00 H new ATOM 0 HB2 TYR A 99 8.381 2.857 -11.041 1.00 0.00 H new ATOM 0 HB3 TYR A 99 8.521 2.364 -9.365 1.00 0.00 H new ATOM 0 HD1 TYR A 99 6.863 4.761 -11.680 1.00 0.00 H new ATOM 0 HD2 TYR A 99 7.011 3.201 -7.667 1.00 0.00 H new ATOM 0 HE1 TYR A 99 4.767 5.976 -11.132 1.00 0.00 H new ATOM 0 HE2 TYR A 99 4.827 4.282 -7.164 1.00 0.00 H new ATOM 0 HH TYR A 99 3.144 5.545 -7.957 1.00 0.00 H new ATOM 1241 N ASP A 100 11.418 2.994 -11.084 1.00 0.00 N ATOM 1242 CA ASP A 100 12.695 2.296 -11.258 1.00 0.00 C ATOM 1243 C ASP A 100 13.922 3.120 -10.863 1.00 0.00 C ATOM 1244 O ASP A 100 14.867 2.578 -10.298 1.00 0.00 O ATOM 1245 CB ASP A 100 12.816 1.863 -12.704 1.00 0.00 C ATOM 1246 CG ASP A 100 13.834 0.722 -12.881 1.00 0.00 C ATOM 1247 OD1 ASP A 100 13.649 -0.355 -12.264 1.00 0.00 O ATOM 1248 OD2 ASP A 100 14.813 0.897 -13.644 1.00 0.00 O ATOM 0 H ASP A 100 10.929 3.176 -11.960 1.00 0.00 H new ATOM 0 HA ASP A 100 12.683 1.442 -10.581 1.00 0.00 H new ATOM 0 HB2 ASP A 100 11.841 1.539 -13.068 1.00 0.00 H new ATOM 0 HB3 ASP A 100 13.117 2.715 -13.314 1.00 0.00 H new ATOM 1253 N MET A 101 13.897 4.435 -11.089 1.00 0.00 N ATOM 1254 CA MET A 101 14.935 5.328 -10.543 1.00 0.00 C ATOM 1255 C MET A 101 14.852 5.468 -9.016 1.00 0.00 C ATOM 1256 O MET A 101 15.889 5.644 -8.382 1.00 0.00 O ATOM 1257 CB MET A 101 15.179 6.628 -11.328 1.00 0.00 C ATOM 1258 CG MET A 101 14.188 7.762 -11.107 1.00 0.00 C ATOM 1259 SD MET A 101 14.180 8.566 -9.481 1.00 0.00 S ATOM 1260 CE MET A 101 12.593 9.444 -9.559 1.00 0.00 C ATOM 0 H MET A 101 13.180 4.907 -11.640 1.00 0.00 H new ATOM 0 HA MET A 101 15.877 4.809 -10.721 1.00 0.00 H new ATOM 0 HB2 MET A 101 16.175 6.994 -11.077 1.00 0.00 H new ATOM 0 HB3 MET A 101 15.186 6.386 -12.391 1.00 0.00 H new ATOM 0 HG2 MET A 101 14.380 8.527 -11.859 1.00 0.00 H new ATOM 0 HG3 MET A 101 13.187 7.374 -11.295 1.00 0.00 H new ATOM 0 HE1 MET A 101 12.333 9.814 -8.567 1.00 0.00 H new ATOM 0 HE2 MET A 101 12.675 10.284 -10.249 1.00 0.00 H new ATOM 0 HE3 MET A 101 11.817 8.763 -9.907 1.00 0.00 H new ATOM 1270 N LEU A 102 13.670 5.339 -8.396 1.00 0.00 N ATOM 1271 CA LEU A 102 13.568 5.238 -6.940 1.00 0.00 C ATOM 1272 C LEU A 102 14.113 3.881 -6.481 1.00 0.00 C ATOM 1273 O LEU A 102 14.888 3.862 -5.536 1.00 0.00 O ATOM 1274 CB LEU A 102 12.125 5.469 -6.438 1.00 0.00 C ATOM 1275 CG LEU A 102 11.509 6.845 -6.753 1.00 0.00 C ATOM 1276 CD1 LEU A 102 10.095 6.934 -6.184 1.00 0.00 C ATOM 1277 CD2 LEU A 102 12.321 8.016 -6.202 1.00 0.00 C ATOM 0 H LEU A 102 12.774 5.303 -8.883 1.00 0.00 H new ATOM 0 HA LEU A 102 14.173 6.031 -6.499 1.00 0.00 H new ATOM 0 HB2 LEU A 102 11.485 4.700 -6.870 1.00 0.00 H new ATOM 0 HB3 LEU A 102 12.111 5.326 -5.357 1.00 0.00 H new ATOM 0 HG LEU A 102 11.503 6.925 -7.840 1.00 0.00 H new ATOM 0 HD11 LEU A 102 9.671 7.912 -6.414 1.00 0.00 H new ATOM 0 HD12 LEU A 102 9.474 6.156 -6.628 1.00 0.00 H new ATOM 0 HD13 LEU A 102 10.129 6.798 -5.103 1.00 0.00 H new ATOM 0 HD21 LEU A 102 11.829 8.954 -6.461 1.00 0.00 H new ATOM 0 HD22 LEU A 102 12.392 7.931 -5.118 1.00 0.00 H new ATOM 0 HD23 LEU A 102 13.322 8.000 -6.634 1.00 0.00 H new ATOM 1289 N ARG A 103 13.826 2.771 -7.182 1.00 0.00 N ATOM 1290 CA ARG A 103 14.106 1.386 -6.738 1.00 0.00 C ATOM 1291 C ARG A 103 15.524 1.152 -6.187 1.00 0.00 C ATOM 1292 O ARG A 103 15.705 0.420 -5.213 1.00 0.00 O ATOM 1293 CB ARG A 103 13.850 0.394 -7.888 1.00 0.00 C ATOM 1294 CG ARG A 103 12.378 -0.011 -8.050 1.00 0.00 C ATOM 1295 CD ARG A 103 12.187 -1.106 -9.101 1.00 0.00 C ATOM 1296 NE ARG A 103 12.891 -2.360 -8.764 1.00 0.00 N ATOM 1297 CZ ARG A 103 13.817 -2.986 -9.475 1.00 0.00 C ATOM 1298 NH1 ARG A 103 14.258 -2.552 -10.624 1.00 0.00 N ATOM 1299 NH2 ARG A 103 14.335 -4.093 -9.026 1.00 0.00 N ATOM 0 H ARG A 103 13.381 2.808 -8.099 1.00 0.00 H new ATOM 0 HA ARG A 103 13.422 1.218 -5.906 1.00 0.00 H new ATOM 0 HB2 ARG A 103 14.198 0.838 -8.821 1.00 0.00 H new ATOM 0 HB3 ARG A 103 14.446 -0.503 -7.719 1.00 0.00 H new ATOM 0 HG2 ARG A 103 11.992 -0.359 -7.092 1.00 0.00 H new ATOM 0 HG3 ARG A 103 11.792 0.864 -8.330 1.00 0.00 H new ATOM 0 HD2 ARG A 103 11.123 -1.312 -9.213 1.00 0.00 H new ATOM 0 HD3 ARG A 103 12.544 -0.743 -10.065 1.00 0.00 H new ATOM 0 HE ARG A 103 12.634 -2.796 -7.878 1.00 0.00 H new ATOM 0 HH11 ARG A 103 13.887 -1.688 -11.019 1.00 0.00 H new ATOM 0 HH12 ARG A 103 14.973 -3.077 -11.127 1.00 0.00 H new ATOM 0 HH21 ARG A 103 14.027 -4.474 -8.131 1.00 0.00 H new ATOM 0 HH22 ARG A 103 15.048 -4.579 -9.569 1.00 0.00 H new ATOM 1313 N LYS A 104 16.513 1.786 -6.825 1.00 0.00 N ATOM 1314 CA LYS A 104 17.954 1.743 -6.519 1.00 0.00 C ATOM 1315 C LYS A 104 18.511 2.962 -5.773 1.00 0.00 C ATOM 1316 O LYS A 104 19.619 2.878 -5.245 1.00 0.00 O ATOM 1317 CB LYS A 104 18.778 1.451 -7.793 1.00 0.00 C ATOM 1318 CG LYS A 104 18.171 1.767 -9.170 1.00 0.00 C ATOM 1319 CD LYS A 104 17.751 3.224 -9.398 1.00 0.00 C ATOM 1320 CE LYS A 104 18.790 4.342 -9.339 1.00 0.00 C ATOM 1321 NZ LYS A 104 19.915 4.152 -10.301 1.00 0.00 N ATOM 0 H LYS A 104 16.318 2.386 -7.626 1.00 0.00 H new ATOM 0 HA LYS A 104 18.059 0.920 -5.812 1.00 0.00 H new ATOM 0 HB2 LYS A 104 19.713 2.005 -7.712 1.00 0.00 H new ATOM 0 HB3 LYS A 104 19.033 0.391 -7.783 1.00 0.00 H new ATOM 0 HG2 LYS A 104 18.896 1.494 -9.937 1.00 0.00 H new ATOM 0 HG3 LYS A 104 17.298 1.130 -9.316 1.00 0.00 H new ATOM 0 HD2 LYS A 104 17.278 3.274 -10.379 1.00 0.00 H new ATOM 0 HD3 LYS A 104 16.983 3.458 -8.661 1.00 0.00 H new ATOM 0 HE2 LYS A 104 18.301 5.294 -9.545 1.00 0.00 H new ATOM 0 HE3 LYS A 104 19.192 4.402 -8.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 20.585 4.942 -10.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 20.404 3.258 -10.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 19.541 4.123 -11.271 1.00 0.00 H new ATOM 1335 N ASN A 105 17.787 4.087 -5.733 1.00 0.00 N ATOM 1336 CA ASN A 105 18.258 5.305 -5.044 1.00 0.00 C ATOM 1337 C ASN A 105 17.611 5.500 -3.666 1.00 0.00 C ATOM 1338 O ASN A 105 18.219 6.073 -2.764 1.00 0.00 O ATOM 1339 CB ASN A 105 18.017 6.555 -5.906 1.00 0.00 C ATOM 1340 CG ASN A 105 19.129 6.806 -6.909 1.00 0.00 C ATOM 1341 OD1 ASN A 105 18.921 6.994 -8.093 1.00 0.00 O ATOM 1342 ND2 ASN A 105 20.362 6.804 -6.458 1.00 0.00 N ATOM 0 H ASN A 105 16.870 4.184 -6.169 1.00 0.00 H new ATOM 0 HA ASN A 105 19.328 5.168 -4.890 1.00 0.00 H new ATOM 0 HB2 ASN A 105 17.072 6.446 -6.439 1.00 0.00 H new ATOM 0 HB3 ASN A 105 17.918 7.424 -5.256 1.00 0.00 H new ATOM 0 HD21 ASN A 105 21.140 6.960 -7.099 1.00 0.00 H new ATOM 0 HD22 ASN A 105 20.542 6.647 -5.466 1.00 0.00 H new ATOM 1349 N LEU A 106 16.360 5.064 -3.539 1.00 0.00 N ATOM 1350 CA LEU A 106 15.503 5.232 -2.370 1.00 0.00 C ATOM 1351 C LEU A 106 14.989 3.877 -1.850 1.00 0.00 C ATOM 1352 O LEU A 106 14.444 3.067 -2.600 1.00 0.00 O ATOM 1353 CB LEU A 106 14.376 6.197 -2.788 1.00 0.00 C ATOM 1354 CG LEU A 106 13.197 6.287 -1.814 1.00 0.00 C ATOM 1355 CD1 LEU A 106 13.586 6.829 -0.435 1.00 0.00 C ATOM 1356 CD2 LEU A 106 12.130 7.222 -2.363 1.00 0.00 C ATOM 0 H LEU A 106 15.892 4.557 -4.290 1.00 0.00 H new ATOM 0 HA LEU A 106 16.051 5.655 -1.528 1.00 0.00 H new ATOM 0 HB2 LEU A 106 14.800 7.193 -2.912 1.00 0.00 H new ATOM 0 HB3 LEU A 106 13.998 5.888 -3.763 1.00 0.00 H new ATOM 0 HG LEU A 106 12.835 5.265 -1.706 1.00 0.00 H new ATOM 0 HD11 LEU A 106 12.703 6.866 0.204 1.00 0.00 H new ATOM 0 HD12 LEU A 106 14.333 6.175 0.016 1.00 0.00 H new ATOM 0 HD13 LEU A 106 13.999 7.832 -0.542 1.00 0.00 H new ATOM 0 HD21 LEU A 106 11.298 7.277 -1.661 1.00 0.00 H new ATOM 0 HD22 LEU A 106 12.554 8.217 -2.501 1.00 0.00 H new ATOM 0 HD23 LEU A 106 11.772 6.844 -3.321 1.00 0.00 H new ATOM 1368 N VAL A 107 15.107 3.676 -0.534 1.00 0.00 N ATOM 1369 CA VAL A 107 14.502 2.560 0.214 1.00 0.00 C ATOM 1370 C VAL A 107 13.502 3.124 1.232 1.00 0.00 C ATOM 1371 O VAL A 107 13.812 4.083 1.939 1.00 0.00 O ATOM 1372 CB VAL A 107 15.584 1.689 0.889 1.00 0.00 C ATOM 1373 CG1 VAL A 107 14.978 0.489 1.629 1.00 0.00 C ATOM 1374 CG2 VAL A 107 16.583 1.137 -0.138 1.00 0.00 C ATOM 0 H VAL A 107 15.644 4.305 0.064 1.00 0.00 H new ATOM 0 HA VAL A 107 13.967 1.907 -0.476 1.00 0.00 H new ATOM 0 HB VAL A 107 16.089 2.345 1.598 1.00 0.00 H new ATOM 0 HG11 VAL A 107 15.775 -0.096 2.088 1.00 0.00 H new ATOM 0 HG12 VAL A 107 14.297 0.844 2.402 1.00 0.00 H new ATOM 0 HG13 VAL A 107 14.431 -0.136 0.923 1.00 0.00 H new ATOM 0 HG21 VAL A 107 17.330 0.529 0.372 1.00 0.00 H new ATOM 0 HG22 VAL A 107 16.053 0.525 -0.868 1.00 0.00 H new ATOM 0 HG23 VAL A 107 17.076 1.965 -0.648 1.00 0.00 H new ATOM 1384 N THR A 108 12.297 2.549 1.305 1.00 0.00 N ATOM 1385 CA THR A 108 11.220 2.982 2.218 1.00 0.00 C ATOM 1386 C THR A 108 11.198 2.171 3.523 1.00 0.00 C ATOM 1387 O THR A 108 11.775 1.084 3.619 1.00 0.00 O ATOM 1388 CB THR A 108 9.860 2.998 1.493 1.00 0.00 C ATOM 1389 OG1 THR A 108 8.812 3.301 2.388 1.00 0.00 O ATOM 1390 CG2 THR A 108 9.495 1.683 0.806 1.00 0.00 C ATOM 0 H THR A 108 12.032 1.754 0.723 1.00 0.00 H new ATOM 0 HA THR A 108 11.432 4.007 2.521 1.00 0.00 H new ATOM 0 HB THR A 108 9.976 3.765 0.727 1.00 0.00 H new ATOM 0 HG1 THR A 108 7.960 3.307 1.904 1.00 0.00 H new ATOM 0 HG21 THR A 108 8.524 1.783 0.321 1.00 0.00 H new ATOM 0 HG22 THR A 108 10.250 1.441 0.058 1.00 0.00 H new ATOM 0 HG23 THR A 108 9.450 0.885 1.548 1.00 0.00 H new ATOM 1398 N LEU A 109 10.506 2.705 4.534 1.00 0.00 N ATOM 1399 CA LEU A 109 10.186 2.001 5.783 1.00 0.00 C ATOM 1400 C LEU A 109 9.170 0.858 5.564 1.00 0.00 C ATOM 1401 O LEU A 109 9.099 -0.079 6.363 1.00 0.00 O ATOM 1402 CB LEU A 109 9.668 3.032 6.791 1.00 0.00 C ATOM 1403 CG LEU A 109 9.530 2.509 8.236 1.00 0.00 C ATOM 1404 CD1 LEU A 109 10.792 1.838 8.789 1.00 0.00 C ATOM 1405 CD2 LEU A 109 9.236 3.708 9.124 1.00 0.00 C ATOM 0 H LEU A 109 10.144 3.658 4.508 1.00 0.00 H new ATOM 0 HA LEU A 109 11.086 1.524 6.170 1.00 0.00 H new ATOM 0 HB2 LEU A 109 10.342 3.889 6.792 1.00 0.00 H new ATOM 0 HB3 LEU A 109 8.695 3.392 6.455 1.00 0.00 H new ATOM 0 HG LEU A 109 8.743 1.755 8.227 1.00 0.00 H new ATOM 0 HD11 LEU A 109 10.607 1.500 9.809 1.00 0.00 H new ATOM 0 HD12 LEU A 109 11.053 0.983 8.165 1.00 0.00 H new ATOM 0 HD13 LEU A 109 11.615 2.553 8.787 1.00 0.00 H new ATOM 0 HD21 LEU A 109 9.131 3.378 10.158 1.00 0.00 H new ATOM 0 HD22 LEU A 109 10.055 4.423 9.053 1.00 0.00 H new ATOM 0 HD23 LEU A 109 8.310 4.183 8.799 1.00 0.00 H new ATOM 1417 N ALA A 110 8.385 0.930 4.482 1.00 0.00 N ATOM 1418 CA ALA A 110 7.371 -0.060 4.126 1.00 0.00 C ATOM 1419 C ALA A 110 7.984 -1.430 3.764 1.00 0.00 C ATOM 1420 O ALA A 110 9.047 -1.508 3.139 1.00 0.00 O ATOM 1421 CB ALA A 110 6.528 0.503 2.975 1.00 0.00 C ATOM 0 H ALA A 110 8.442 1.700 3.815 1.00 0.00 H new ATOM 0 HA ALA A 110 6.737 -0.244 4.994 1.00 0.00 H new ATOM 0 HB1 ALA A 110 5.764 -0.223 2.695 1.00 0.00 H new ATOM 0 HB2 ALA A 110 6.049 1.429 3.294 1.00 0.00 H new ATOM 0 HB3 ALA A 110 7.170 0.703 2.118 1.00 0.00 H new ATOM 1427 N THR A 111 7.301 -2.516 4.142 1.00 0.00 N ATOM 1428 CA THR A 111 7.767 -3.904 3.967 1.00 0.00 C ATOM 1429 C THR A 111 6.635 -4.906 3.713 1.00 0.00 C ATOM 1430 O THR A 111 5.457 -4.640 3.999 1.00 0.00 O ATOM 1431 CB THR A 111 8.603 -4.317 5.185 1.00 0.00 C ATOM 1432 OG1 THR A 111 9.259 -5.540 4.913 1.00 0.00 O ATOM 1433 CG2 THR A 111 7.810 -4.477 6.487 1.00 0.00 C ATOM 0 H THR A 111 6.386 -2.457 4.589 1.00 0.00 H new ATOM 0 HA THR A 111 8.381 -3.926 3.067 1.00 0.00 H new ATOM 0 HB THR A 111 9.304 -3.498 5.345 1.00 0.00 H new ATOM 0 HG1 THR A 111 9.795 -5.804 5.690 1.00 0.00 H new ATOM 0 HG21 THR A 111 8.485 -4.770 7.291 1.00 0.00 H new ATOM 0 HG22 THR A 111 7.333 -3.530 6.741 1.00 0.00 H new ATOM 0 HG23 THR A 111 7.047 -5.244 6.356 1.00 0.00 H new TER 1441 THR A 111 HETATM 1442 N 48M A 200 -0.537 13.762 -11.606 1.00 0.00 N HETATM 1443 CG1 48M A 200 2.717 14.080 -10.733 1.00 0.00 C HETATM 1444 CG2 48M A 200 0.608 11.916 -10.361 1.00 0.00 C HETATM 1445 CG3 48M A 200 -0.687 15.497 -13.274 1.00 0.00 C HETATM 1446 CD1 48M A 200 3.187 14.335 -12.028 1.00 0.00 C HETATM 1447 CD2 48M A 200 3.546 13.394 -9.837 1.00 0.00 C HETATM 1448 CD3 48M A 200 -0.005 11.068 -9.437 1.00 0.00 C HETATM 1449 CD4 48M A 200 1.507 11.367 -11.277 1.00 0.00 C HETATM 1450 CD5 48M A 200 -1.840 14.917 -13.824 1.00 0.00 C HETATM 1451 CD6 48M A 200 -0.081 16.561 -13.970 1.00 0.00 C HETATM 1452 CE1 48M A 200 4.453 13.904 -12.422 1.00 0.00 C HETATM 1453 CE2 48M A 200 4.800 12.944 -10.241 1.00 0.00 C HETATM 1454 CE3 48M A 200 0.316 9.712 -9.382 1.00 0.00 C HETATM 1455 CE4 48M A 200 1.852 10.022 -11.205 1.00 0.00 C HETATM 1456 CE5 48M A 200 -2.442 15.442 -14.959 1.00 0.00 C HETATM 1457 CE6 48M A 200 -0.697 17.089 -15.111 1.00 0.00 C HETATM 1458 CZ1 48M A 200 5.258 13.211 -11.523 1.00 0.00 C HETATM 1459 CZ2 48M A 200 1.257 9.187 -10.264 1.00 0.00 C HETATM 1460 CZ3 48M A 200 -1.890 16.550 -15.589 1.00 0.00 C HETATM 1461 CL2 48M A 200 6.839 12.691 -11.979 1.00 0.00 CL HETATM 1462 CL1 48M A 200 3.053 9.407 -12.276 1.00 0.00 CL HETATM 1463 CM1 48M A 200 -2.576 17.126 -16.718 1.00 0.00 C HETATM 1464 CM2 48M A 200 2.809 16.521 -15.261 1.00 0.00 C HETATM 1465 CM3 48M A 200 3.195 18.294 -13.513 1.00 0.00 C HETATM 1466 NM1 48M A 200 -3.150 17.567 -17.603 1.00 0.00 N HETATM 1467 C1 48M A 200 -0.896 20.139 -11.477 1.00 0.00 C HETATM 1468 N1 48M A 200 -2.048 19.611 -11.921 1.00 0.00 N HETATM 1469 O1 48M A 200 -0.723 21.334 -11.615 1.00 0.00 O HETATM 1470 C2 48M A 200 -2.431 18.198 -11.780 1.00 0.00 C HETATM 1471 N2 48M A 200 -0.126 17.750 -10.912 1.00 0.00 N HETATM 1472 C3 48M A 200 -1.565 17.447 -10.749 1.00 0.00 C HETATM 1473 N3 48M A 200 0.723 15.576 -11.104 1.00 0.00 N HETATM 1474 C4 48M A 200 0.143 19.213 -10.845 1.00 0.00 C HETATM 1475 C5 48M A 200 0.884 16.859 -10.717 1.00 0.00 C HETATM 1476 O5 48M A 200 1.910 17.222 -10.175 1.00 0.00 O HETATM 1477 C6 48M A 200 -0.210 14.942 -11.968 1.00 0.00 C HETATM 1478 O6 48M A 200 1.138 17.064 -13.553 1.00 0.00 O HETATM 1479 C7 48M A 200 0.208 13.393 -10.384 1.00 0.00 C HETATM 1480 C8 48M A 200 1.310 14.497 -10.290 1.00 0.00 C HETATM 1481 C9 48M A 200 2.153 17.630 -14.420 1.00 0.00 C