USER MOD reduce.3.24.130724 H: found=0, std=0, add=890, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 887 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 76 GLN : amide:sc= 0.479 X(o=-5.8,f=-6.1!) USER MOD Set 1.2: A 95 HIS :FLIP no HE2:sc= -6.28! C(o=-6.1!,f=-5.8!) USER MOD Set 2.1: A 62 HIS : no HD1:sc= -0.429 K(o=-0.43,f=-1.4) USER MOD Set 2.2: A 67 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 54 ASN : amide:sc= -6.14! C(o=-7.5!,f=-10!) USER MOD Set 3.2: A 56 TYR OH : rot 141:sc= -1.33 USER MOD Set 4.1: A 27 SER OG : rot 180:sc= -0.201 USER MOD Set 4.2: A 52 GLN : amide:sc= -0.646 K(o=-0.85,f=-2.7) USER MOD Single : A 2 THR OG1 : rot -41:sc= 0.312 USER MOD Single : A 6 GLN : amide:sc= -0.142 X(o=-0.14,f=-0.26) USER MOD Single : A 8 LYS NZ :NH3+ -116:sc= -0.577 (180deg=-1.96!) USER MOD Single : A 9 HIS : no HD1:sc= -0.112 K(o=-0.11,f=-0.66) USER MOD Single : A 10 TYR OH : rot 180:sc= -0.0433 USER MOD Single : A 12 THR OG1 : rot -91:sc= -0.326 USER MOD Single : A 13 ASN : amide:sc= -1.8! C(o=-1.8!,f=-3.6!) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=-0.042) USER MOD Single : A 22 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0968) USER MOD Single : A 25 CYS SG : rot -85:sc= 0.358 USER MOD Single : A 39 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot -63:sc= 1.04 USER MOD Single : A 48 ASN : amide:sc= -0.649 X(o=-0.65,f=-0.98) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc=-0.00317 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= -0.311 USER MOD Single : A 60 THR OG1 : rot 171:sc= 0.839 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 82:sc= 0.0888 USER MOD Single : A 65 ASN : amide:sc= -0.182 X(o=-0.18,f=0) USER MOD Single : A 72 TYR OH : rot 180:sc= -0.0569 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -0.425 K(o=-0.43,f=-2) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= -0.0178 K(o=-0.018,f=-1.4!) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 89 MET CE :methyl -132:sc= -0.0684 (180deg=-2.07!) USER MOD Single : A 93 TYR OH : rot -90:sc= 0.527 USER MOD Single : A 96 ASN : amide:sc= -0.101 K(o=-0.1,f=-1.7!) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 -12.486 -8.832 18.485 1.00 0.00 N ATOM 21 CA THR A 2 -11.341 -8.936 17.537 1.00 0.00 C ATOM 22 C THR A 2 -11.568 -8.017 16.330 1.00 0.00 C ATOM 23 O THR A 2 -12.662 -7.548 16.086 1.00 0.00 O ATOM 24 CB THR A 2 -11.219 -10.385 17.052 1.00 0.00 C ATOM 25 OG1 THR A 2 -12.505 -10.874 16.696 1.00 0.00 O ATOM 26 CG2 THR A 2 -10.631 -11.253 18.165 1.00 0.00 C ATOM 0 HA THR A 2 -10.427 -8.634 18.047 1.00 0.00 H new ATOM 0 HB THR A 2 -10.562 -10.422 16.183 1.00 0.00 H new ATOM 0 HG1 THR A 2 -13.163 -10.574 17.357 1.00 0.00 H new ATOM 0 HG21 THR A 2 -10.546 -12.282 17.817 1.00 0.00 H new ATOM 0 HG22 THR A 2 -9.644 -10.878 18.435 1.00 0.00 H new ATOM 0 HG23 THR A 2 -11.284 -11.218 19.037 1.00 0.00 H new ATOM 34 N LEU A 3 -10.534 -7.759 15.571 1.00 0.00 N ATOM 35 CA LEU A 3 -10.672 -6.880 14.370 1.00 0.00 C ATOM 36 C LEU A 3 -11.621 -7.538 13.359 1.00 0.00 C ATOM 37 O LEU A 3 -12.441 -6.887 12.745 1.00 0.00 O ATOM 38 CB LEU A 3 -9.291 -6.697 13.726 1.00 0.00 C ATOM 39 CG LEU A 3 -8.501 -5.614 14.464 1.00 0.00 C ATOM 40 CD1 LEU A 3 -8.477 -5.922 15.959 1.00 0.00 C ATOM 41 CD2 LEU A 3 -7.066 -5.587 13.931 1.00 0.00 C ATOM 0 H LEU A 3 -9.594 -8.121 15.732 1.00 0.00 H new ATOM 0 HA LEU A 3 -11.075 -5.912 14.666 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -8.742 -7.638 13.752 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -9.405 -6.423 12.677 1.00 0.00 H new ATOM 0 HG LEU A 3 -8.975 -4.646 14.302 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -7.914 -5.149 16.481 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -9.497 -5.948 16.342 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -8.003 -6.890 16.124 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -6.498 -4.817 14.453 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -6.598 -6.558 14.096 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -7.078 -5.367 12.863 1.00 0.00 H new ATOM 53 N GLU A 4 -11.495 -8.823 13.168 1.00 0.00 N ATOM 54 CA GLU A 4 -12.371 -9.521 12.185 1.00 0.00 C ATOM 55 C GLU A 4 -13.823 -9.457 12.655 1.00 0.00 C ATOM 56 O GLU A 4 -14.723 -9.175 11.889 1.00 0.00 O ATOM 57 CB GLU A 4 -11.933 -10.983 12.082 1.00 0.00 C ATOM 58 CG GLU A 4 -10.549 -11.059 11.431 1.00 0.00 C ATOM 59 CD GLU A 4 -10.054 -12.508 11.434 1.00 0.00 C ATOM 60 OE1 GLU A 4 -10.785 -13.363 11.908 1.00 0.00 O ATOM 61 OE2 GLU A 4 -8.952 -12.737 10.963 1.00 0.00 O ATOM 0 H GLU A 4 -10.823 -9.420 13.650 1.00 0.00 H new ATOM 0 HA GLU A 4 -12.288 -9.039 11.211 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -11.905 -11.436 13.073 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -12.655 -11.549 11.493 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -10.597 -10.683 10.409 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -9.847 -10.424 11.972 1.00 0.00 H new ATOM 68 N LEU A 5 -14.061 -9.718 13.908 1.00 0.00 N ATOM 69 CA LEU A 5 -15.459 -9.671 14.422 1.00 0.00 C ATOM 70 C LEU A 5 -16.002 -8.245 14.300 1.00 0.00 C ATOM 71 O LEU A 5 -17.126 -8.028 13.894 1.00 0.00 O ATOM 72 CB LEU A 5 -15.471 -10.096 15.896 1.00 0.00 C ATOM 73 CG LEU A 5 -16.887 -9.960 16.479 1.00 0.00 C ATOM 74 CD1 LEU A 5 -17.882 -10.789 15.652 1.00 0.00 C ATOM 75 CD2 LEU A 5 -16.887 -10.453 17.931 1.00 0.00 C ATOM 0 H LEU A 5 -13.351 -9.962 14.598 1.00 0.00 H new ATOM 0 HA LEU A 5 -16.084 -10.348 13.840 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -15.130 -11.127 15.987 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -14.775 -9.479 16.465 1.00 0.00 H new ATOM 0 HG LEU A 5 -17.189 -8.913 16.446 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -18.881 -10.685 16.074 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -17.884 -10.433 14.622 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -17.587 -11.838 15.672 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -17.890 -10.358 18.348 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -16.580 -11.498 17.960 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -16.192 -9.854 18.519 1.00 0.00 H new ATOM 87 N GLN A 6 -15.211 -7.278 14.664 1.00 0.00 N ATOM 88 CA GLN A 6 -15.668 -5.864 14.584 1.00 0.00 C ATOM 89 C GLN A 6 -15.799 -5.458 13.118 1.00 0.00 C ATOM 90 O GLN A 6 -16.722 -4.769 12.730 1.00 0.00 O ATOM 91 CB GLN A 6 -14.633 -4.973 15.268 1.00 0.00 C ATOM 92 CG GLN A 6 -14.627 -5.241 16.774 1.00 0.00 C ATOM 93 CD GLN A 6 -15.938 -4.747 17.386 1.00 0.00 C ATOM 94 OE1 GLN A 6 -16.310 -3.604 17.211 1.00 0.00 O ATOM 95 NE2 GLN A 6 -16.658 -5.565 18.104 1.00 0.00 N ATOM 0 H GLN A 6 -14.262 -7.406 15.016 1.00 0.00 H new ATOM 0 HA GLN A 6 -16.634 -5.756 15.077 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -13.644 -5.165 14.852 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -14.861 -3.924 15.078 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -14.504 -6.307 16.964 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -13.782 -4.735 17.241 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -16.346 -6.525 18.251 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -17.533 -5.245 18.518 1.00 0.00 H new ATOM 104 N LEU A 7 -14.871 -5.870 12.306 1.00 0.00 N ATOM 105 CA LEU A 7 -14.926 -5.504 10.865 1.00 0.00 C ATOM 106 C LEU A 7 -16.173 -6.114 10.221 1.00 0.00 C ATOM 107 O LEU A 7 -16.879 -5.468 9.472 1.00 0.00 O ATOM 108 CB LEU A 7 -13.673 -6.041 10.165 1.00 0.00 C ATOM 109 CG LEU A 7 -13.750 -5.769 8.655 1.00 0.00 C ATOM 110 CD1 LEU A 7 -13.966 -4.271 8.396 1.00 0.00 C ATOM 111 CD2 LEU A 7 -12.443 -6.222 7.992 1.00 0.00 C ATOM 0 H LEU A 7 -14.074 -6.446 12.577 1.00 0.00 H new ATOM 0 HA LEU A 7 -14.969 -4.419 10.766 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -12.784 -5.568 10.582 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -13.578 -7.112 10.344 1.00 0.00 H new ATOM 0 HG LEU A 7 -14.589 -6.323 8.234 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -14.019 -4.091 7.322 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -14.897 -3.951 8.864 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -13.135 -3.705 8.818 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -12.493 -6.031 6.920 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -11.607 -5.669 8.420 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -12.299 -7.289 8.164 1.00 0.00 H new ATOM 123 N LYS A 8 -16.439 -7.356 10.505 1.00 0.00 N ATOM 124 CA LYS A 8 -17.630 -8.026 9.915 1.00 0.00 C ATOM 125 C LYS A 8 -18.901 -7.346 10.422 1.00 0.00 C ATOM 126 O LYS A 8 -19.859 -7.172 9.698 1.00 0.00 O ATOM 127 CB LYS A 8 -17.636 -9.499 10.326 1.00 0.00 C ATOM 128 CG LYS A 8 -16.534 -10.253 9.575 1.00 0.00 C ATOM 129 CD LYS A 8 -16.519 -11.717 10.021 1.00 0.00 C ATOM 130 CE LYS A 8 -15.489 -12.494 9.196 1.00 0.00 C ATOM 131 NZ LYS A 8 -14.124 -11.971 9.484 1.00 0.00 N ATOM 0 H LYS A 8 -15.879 -7.941 11.125 1.00 0.00 H new ATOM 0 HA LYS A 8 -17.591 -7.952 8.828 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -17.481 -9.586 11.401 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -18.607 -9.943 10.107 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -16.705 -10.191 8.500 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -15.566 -9.793 9.771 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -16.275 -11.782 11.081 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -17.508 -12.157 9.894 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -15.541 -13.556 9.436 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -15.710 -12.397 8.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -13.724 -11.551 8.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -14.180 -11.246 10.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -13.514 -12.750 9.805 1.00 0.00 H new ATOM 145 N HIS A 9 -18.917 -6.976 11.669 1.00 0.00 N ATOM 146 CA HIS A 9 -20.126 -6.318 12.237 1.00 0.00 C ATOM 147 C HIS A 9 -20.409 -5.015 11.480 1.00 0.00 C ATOM 148 O HIS A 9 -21.530 -4.736 11.103 1.00 0.00 O ATOM 149 CB HIS A 9 -19.874 -6.009 13.711 1.00 0.00 C ATOM 150 CG HIS A 9 -21.122 -5.436 14.320 1.00 0.00 C ATOM 151 ND1 HIS A 9 -21.410 -4.082 14.278 1.00 0.00 N ATOM 152 CD2 HIS A 9 -22.171 -6.023 14.983 1.00 0.00 C ATOM 153 CE1 HIS A 9 -22.591 -3.899 14.897 1.00 0.00 C ATOM 154 NE2 HIS A 9 -23.098 -5.050 15.346 1.00 0.00 N ATOM 0 H HIS A 9 -18.144 -7.100 12.322 1.00 0.00 H new ATOM 0 HA HIS A 9 -20.986 -6.980 12.139 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -19.581 -6.916 14.240 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -19.050 -5.303 13.810 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -22.263 -7.079 15.191 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -23.070 -2.938 15.016 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -23.976 -5.187 15.847 1.00 0.00 H new ATOM 162 N TYR A 10 -19.404 -4.211 11.269 1.00 0.00 N ATOM 163 CA TYR A 10 -19.614 -2.922 10.542 1.00 0.00 C ATOM 164 C TYR A 10 -20.076 -3.198 9.108 1.00 0.00 C ATOM 165 O TYR A 10 -21.023 -2.611 8.623 1.00 0.00 O ATOM 166 CB TYR A 10 -18.295 -2.147 10.504 1.00 0.00 C ATOM 167 CG TYR A 10 -18.476 -0.883 9.694 1.00 0.00 C ATOM 168 CD1 TYR A 10 -19.144 0.212 10.251 1.00 0.00 C ATOM 169 CD2 TYR A 10 -17.977 -0.809 8.386 1.00 0.00 C ATOM 170 CE1 TYR A 10 -19.316 1.383 9.504 1.00 0.00 C ATOM 171 CE2 TYR A 10 -18.149 0.363 7.638 1.00 0.00 C ATOM 172 CZ TYR A 10 -18.819 1.458 8.196 1.00 0.00 C ATOM 173 OH TYR A 10 -18.989 2.611 7.459 1.00 0.00 O ATOM 0 H TYR A 10 -18.445 -4.389 11.568 1.00 0.00 H new ATOM 0 HA TYR A 10 -20.376 -2.339 11.058 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -17.977 -1.900 11.517 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -17.511 -2.764 10.065 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -19.528 0.154 11.259 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -17.461 -1.654 7.956 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -19.831 2.228 9.935 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -17.765 0.422 6.630 1.00 0.00 H new ATOM 0 HH TYR A 10 -18.584 2.496 6.574 1.00 0.00 H new ATOM 183 N ILE A 11 -19.394 -4.071 8.421 1.00 0.00 N ATOM 184 CA ILE A 11 -19.771 -4.378 7.012 1.00 0.00 C ATOM 185 C ILE A 11 -21.151 -5.038 6.977 1.00 0.00 C ATOM 186 O ILE A 11 -21.982 -4.728 6.147 1.00 0.00 O ATOM 187 CB ILE A 11 -18.731 -5.329 6.415 1.00 0.00 C ATOM 188 CG1 ILE A 11 -17.391 -4.597 6.285 1.00 0.00 C ATOM 189 CG2 ILE A 11 -19.191 -5.806 5.033 1.00 0.00 C ATOM 190 CD1 ILE A 11 -16.299 -5.596 5.905 1.00 0.00 C ATOM 0 H ILE A 11 -18.589 -4.587 8.775 1.00 0.00 H new ATOM 0 HA ILE A 11 -19.804 -3.456 6.432 1.00 0.00 H new ATOM 0 HB ILE A 11 -18.616 -6.193 7.069 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -17.463 -3.816 5.528 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -17.139 -4.107 7.226 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -18.446 -6.482 4.615 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -20.143 -6.328 5.127 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -19.312 -4.947 4.373 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -15.346 -5.075 5.812 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -16.221 -6.361 6.677 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -16.550 -6.065 4.954 1.00 0.00 H new ATOM 202 N THR A 12 -21.391 -5.963 7.861 1.00 0.00 N ATOM 203 CA THR A 12 -22.707 -6.661 7.875 1.00 0.00 C ATOM 204 C THR A 12 -23.821 -5.660 8.173 1.00 0.00 C ATOM 205 O THR A 12 -24.826 -5.621 7.501 1.00 0.00 O ATOM 206 CB THR A 12 -22.686 -7.731 8.964 1.00 0.00 C ATOM 207 OG1 THR A 12 -22.202 -7.154 10.165 1.00 0.00 O ATOM 208 CG2 THR A 12 -21.767 -8.887 8.552 1.00 0.00 C ATOM 0 H THR A 12 -20.732 -6.268 8.577 1.00 0.00 H new ATOM 0 HA THR A 12 -22.888 -7.119 6.903 1.00 0.00 H new ATOM 0 HB THR A 12 -23.695 -8.116 9.111 1.00 0.00 H new ATOM 0 HG1 THR A 12 -21.229 -7.265 10.213 1.00 0.00 H new ATOM 0 HG21 THR A 12 -21.760 -9.644 9.336 1.00 0.00 H new ATOM 0 HG22 THR A 12 -22.132 -9.329 7.625 1.00 0.00 H new ATOM 0 HG23 THR A 12 -20.755 -8.511 8.402 1.00 0.00 H new ATOM 216 N ASN A 13 -23.650 -4.860 9.182 1.00 0.00 N ATOM 217 CA ASN A 13 -24.693 -3.857 9.533 1.00 0.00 C ATOM 218 C ASN A 13 -24.764 -2.794 8.439 1.00 0.00 C ATOM 219 O ASN A 13 -25.821 -2.301 8.099 1.00 0.00 O ATOM 220 CB ASN A 13 -24.329 -3.201 10.863 1.00 0.00 C ATOM 221 CG ASN A 13 -25.373 -2.143 11.221 1.00 0.00 C ATOM 222 OD1 ASN A 13 -26.255 -1.851 10.437 1.00 0.00 O ATOM 223 ND2 ASN A 13 -25.310 -1.553 12.383 1.00 0.00 N ATOM 0 H ASN A 13 -22.827 -4.856 9.785 1.00 0.00 H new ATOM 0 HA ASN A 13 -25.662 -4.348 9.621 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -24.277 -3.955 11.649 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -23.342 -2.743 10.795 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -26.001 -0.846 12.634 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -24.570 -1.799 13.040 1.00 0.00 H new ATOM 230 N LEU A 14 -23.637 -2.420 7.901 1.00 0.00 N ATOM 231 CA LEU A 14 -23.629 -1.371 6.843 1.00 0.00 C ATOM 232 C LEU A 14 -24.419 -1.848 5.626 1.00 0.00 C ATOM 233 O LEU A 14 -25.198 -1.111 5.054 1.00 0.00 O ATOM 234 CB LEU A 14 -22.181 -1.087 6.426 1.00 0.00 C ATOM 235 CG LEU A 14 -22.146 -0.053 5.287 1.00 0.00 C ATOM 236 CD1 LEU A 14 -22.876 1.230 5.711 1.00 0.00 C ATOM 237 CD2 LEU A 14 -20.685 0.273 4.948 1.00 0.00 C ATOM 0 H LEU A 14 -22.721 -2.795 8.148 1.00 0.00 H new ATOM 0 HA LEU A 14 -24.089 -0.464 7.234 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -21.615 -0.716 7.281 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -21.701 -2.011 6.103 1.00 0.00 H new ATOM 0 HG LEU A 14 -22.646 -0.467 4.411 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -22.844 1.953 4.896 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -23.914 0.997 5.948 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -22.389 1.652 6.590 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -20.653 1.005 4.141 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -20.190 0.682 5.829 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -20.173 -0.636 4.633 1.00 0.00 H new ATOM 249 N PHE A 15 -24.210 -3.071 5.216 1.00 0.00 N ATOM 250 CA PHE A 15 -24.929 -3.609 4.023 1.00 0.00 C ATOM 251 C PHE A 15 -26.031 -4.560 4.495 1.00 0.00 C ATOM 252 O PHE A 15 -26.725 -5.164 3.702 1.00 0.00 O ATOM 253 CB PHE A 15 -23.924 -4.354 3.142 1.00 0.00 C ATOM 254 CG PHE A 15 -23.009 -3.353 2.472 1.00 0.00 C ATOM 255 CD1 PHE A 15 -23.454 -2.646 1.350 1.00 0.00 C ATOM 256 CD2 PHE A 15 -21.718 -3.134 2.970 1.00 0.00 C ATOM 257 CE1 PHE A 15 -22.612 -1.718 0.727 1.00 0.00 C ATOM 258 CE2 PHE A 15 -20.875 -2.205 2.347 1.00 0.00 C ATOM 259 CZ PHE A 15 -21.323 -1.497 1.224 1.00 0.00 C ATOM 0 H PHE A 15 -23.567 -3.726 5.660 1.00 0.00 H new ATOM 0 HA PHE A 15 -25.381 -2.800 3.448 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -23.341 -5.051 3.744 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -24.449 -4.944 2.391 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -24.448 -2.816 0.964 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -21.373 -3.682 3.834 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -22.958 -1.172 -0.138 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -19.880 -2.035 2.732 1.00 0.00 H new ATOM 0 HZ PHE A 15 -20.674 -0.781 0.742 1.00 0.00 H new ATOM 269 N ASN A 16 -26.186 -4.693 5.786 1.00 0.00 N ATOM 270 CA ASN A 16 -27.234 -5.600 6.342 1.00 0.00 C ATOM 271 C ASN A 16 -27.000 -7.019 5.830 1.00 0.00 C ATOM 272 O ASN A 16 -27.928 -7.756 5.562 1.00 0.00 O ATOM 273 CB ASN A 16 -28.622 -5.112 5.917 1.00 0.00 C ATOM 274 CG ASN A 16 -28.760 -3.635 6.286 1.00 0.00 C ATOM 275 OD1 ASN A 16 -28.526 -3.257 7.416 1.00 0.00 O ATOM 276 ND2 ASN A 16 -29.129 -2.777 5.376 1.00 0.00 N ATOM 0 H ASN A 16 -25.626 -4.207 6.486 1.00 0.00 H new ATOM 0 HA ASN A 16 -27.177 -5.596 7.431 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -28.757 -5.247 4.844 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -29.396 -5.698 6.412 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -29.221 -1.789 5.614 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -29.326 -3.094 4.427 1.00 0.00 H new ATOM 283 N LEU A 17 -25.761 -7.411 5.687 1.00 0.00 N ATOM 284 CA LEU A 17 -25.467 -8.785 5.186 1.00 0.00 C ATOM 285 C LEU A 17 -25.346 -9.756 6.371 1.00 0.00 C ATOM 286 O LEU A 17 -24.957 -9.362 7.452 1.00 0.00 O ATOM 287 CB LEU A 17 -24.158 -8.763 4.398 1.00 0.00 C ATOM 288 CG LEU A 17 -24.298 -7.789 3.220 1.00 0.00 C ATOM 289 CD1 LEU A 17 -22.915 -7.469 2.650 1.00 0.00 C ATOM 290 CD2 LEU A 17 -25.183 -8.398 2.117 1.00 0.00 C ATOM 0 H LEU A 17 -24.942 -6.840 5.895 1.00 0.00 H new ATOM 0 HA LEU A 17 -26.277 -9.118 4.537 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -23.335 -8.456 5.044 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -23.922 -9.763 4.033 1.00 0.00 H new ATOM 0 HG LEU A 17 -24.767 -6.873 3.579 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -23.017 -6.777 1.814 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -22.299 -7.013 3.425 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -22.442 -8.388 2.305 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -25.271 -7.693 1.290 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -24.732 -9.323 1.759 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -26.173 -8.609 2.520 1.00 0.00 H new ATOM 302 N PRO A 18 -25.672 -11.020 6.183 1.00 0.00 N ATOM 303 CA PRO A 18 -25.583 -12.027 7.281 1.00 0.00 C ATOM 304 C PRO A 18 -24.223 -12.016 7.994 1.00 0.00 C ATOM 305 O PRO A 18 -23.177 -12.087 7.379 1.00 0.00 O ATOM 306 CB PRO A 18 -25.802 -13.377 6.570 1.00 0.00 C ATOM 307 CG PRO A 18 -26.546 -13.053 5.313 1.00 0.00 C ATOM 308 CD PRO A 18 -26.159 -11.623 4.925 1.00 0.00 C ATOM 0 HA PRO A 18 -26.313 -11.820 8.063 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -24.851 -13.862 6.349 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -26.372 -14.063 7.197 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -26.286 -13.753 4.519 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -27.622 -13.133 5.469 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -25.387 -11.615 4.156 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -27.012 -11.075 4.526 1.00 0.00 H new ATOM 316 N ARG A 19 -24.249 -11.941 9.295 1.00 0.00 N ATOM 317 CA ARG A 19 -22.991 -11.940 10.095 1.00 0.00 C ATOM 318 C ARG A 19 -22.673 -13.372 10.522 1.00 0.00 C ATOM 319 O ARG A 19 -21.575 -13.680 10.943 1.00 0.00 O ATOM 320 CB ARG A 19 -23.192 -11.052 11.323 1.00 0.00 C ATOM 321 CG ARG A 19 -24.359 -11.593 12.156 1.00 0.00 C ATOM 322 CD ARG A 19 -24.597 -10.680 13.356 1.00 0.00 C ATOM 323 NE ARG A 19 -25.695 -11.234 14.199 1.00 0.00 N ATOM 324 CZ ARG A 19 -26.943 -11.115 13.825 1.00 0.00 C ATOM 325 NH1 ARG A 19 -27.239 -10.542 12.691 1.00 0.00 N ATOM 326 NH2 ARG A 19 -27.895 -11.581 14.586 1.00 0.00 N ATOM 0 H ARG A 19 -25.104 -11.879 9.848 1.00 0.00 H new ATOM 0 HA ARG A 19 -22.161 -11.554 9.504 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -22.282 -11.030 11.923 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -23.395 -10.026 11.015 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -25.260 -11.650 11.545 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -24.139 -12.606 12.494 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -23.684 -10.591 13.944 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -24.857 -9.677 13.016 1.00 0.00 H new ATOM 0 HE ARG A 19 -25.472 -11.709 15.073 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -26.496 -10.184 12.091 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -28.214 -10.452 12.404 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -27.665 -12.036 15.469 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -28.869 -11.490 14.298 1.00 0.00 H new ATOM 340 N ASP A 20 -23.637 -14.246 10.429 1.00 0.00 N ATOM 341 CA ASP A 20 -23.407 -15.658 10.838 1.00 0.00 C ATOM 342 C ASP A 20 -22.745 -16.412 9.684 1.00 0.00 C ATOM 343 O ASP A 20 -22.462 -17.591 9.780 1.00 0.00 O ATOM 344 CB ASP A 20 -24.751 -16.309 11.187 1.00 0.00 C ATOM 345 CG ASP A 20 -25.723 -16.153 10.016 1.00 0.00 C ATOM 346 OD1 ASP A 20 -25.274 -15.783 8.944 1.00 0.00 O ATOM 347 OD2 ASP A 20 -26.901 -16.407 10.211 1.00 0.00 O ATOM 0 H ASP A 20 -24.576 -14.042 10.086 1.00 0.00 H new ATOM 0 HA ASP A 20 -22.756 -15.692 11.711 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -24.606 -17.365 11.413 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -25.168 -15.846 12.082 1.00 0.00 H new ATOM 352 N GLU A 21 -22.486 -15.737 8.594 1.00 0.00 N ATOM 353 CA GLU A 21 -21.835 -16.409 7.431 1.00 0.00 C ATOM 354 C GLU A 21 -20.314 -16.265 7.547 1.00 0.00 C ATOM 355 O GLU A 21 -19.777 -15.174 7.527 1.00 0.00 O ATOM 356 CB GLU A 21 -22.316 -15.756 6.133 1.00 0.00 C ATOM 357 CG GLU A 21 -21.692 -16.479 4.935 1.00 0.00 C ATOM 358 CD GLU A 21 -22.225 -15.874 3.634 1.00 0.00 C ATOM 359 OE1 GLU A 21 -22.847 -14.827 3.701 1.00 0.00 O ATOM 360 OE2 GLU A 21 -22.002 -16.471 2.593 1.00 0.00 O ATOM 0 H GLU A 21 -22.698 -14.748 8.459 1.00 0.00 H new ATOM 0 HA GLU A 21 -22.099 -17.467 7.424 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -23.403 -15.801 6.072 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -22.039 -14.702 6.120 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -20.606 -16.391 4.970 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -21.928 -17.542 4.976 1.00 0.00 H new ATOM 367 N LYS A 22 -19.619 -17.363 7.670 1.00 0.00 N ATOM 368 CA LYS A 22 -18.136 -17.305 7.793 1.00 0.00 C ATOM 369 C LYS A 22 -17.506 -17.152 6.411 1.00 0.00 C ATOM 370 O LYS A 22 -17.945 -17.743 5.445 1.00 0.00 O ATOM 371 CB LYS A 22 -17.640 -18.596 8.442 1.00 0.00 C ATOM 372 CG LYS A 22 -18.278 -18.764 9.829 1.00 0.00 C ATOM 373 CD LYS A 22 -17.785 -17.662 10.779 1.00 0.00 C ATOM 374 CE LYS A 22 -18.033 -18.081 12.229 1.00 0.00 C ATOM 375 NZ LYS A 22 -19.498 -18.218 12.458 1.00 0.00 N ATOM 0 H LYS A 22 -20.017 -18.302 7.691 1.00 0.00 H new ATOM 0 HA LYS A 22 -17.854 -16.450 8.407 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -17.890 -19.449 7.812 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -16.554 -18.574 8.532 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -19.364 -18.722 9.745 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -18.027 -19.744 10.236 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -16.722 -17.480 10.620 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -18.304 -16.727 10.567 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -17.531 -19.026 12.438 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -17.614 -17.340 12.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -19.687 -18.267 13.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -19.991 -17.396 12.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -19.841 -19.087 12.000 1.00 0.00 H new ATOM 389 N TRP A 23 -16.472 -16.352 6.312 1.00 0.00 N ATOM 390 CA TRP A 23 -15.794 -16.136 4.998 1.00 0.00 C ATOM 391 C TRP A 23 -14.497 -16.934 4.955 1.00 0.00 C ATOM 392 O TRP A 23 -14.165 -17.657 5.876 1.00 0.00 O ATOM 393 CB TRP A 23 -15.473 -14.651 4.824 1.00 0.00 C ATOM 394 CG TRP A 23 -16.695 -13.822 5.078 1.00 0.00 C ATOM 395 CD1 TRP A 23 -17.977 -14.266 5.026 1.00 0.00 C ATOM 396 CD2 TRP A 23 -16.771 -12.409 5.421 1.00 0.00 C ATOM 397 NE1 TRP A 23 -18.826 -13.215 5.313 1.00 0.00 N ATOM 398 CE2 TRP A 23 -18.131 -12.050 5.563 1.00 0.00 C ATOM 399 CE3 TRP A 23 -15.799 -11.411 5.621 1.00 0.00 C ATOM 400 CZ2 TRP A 23 -18.515 -10.750 5.892 1.00 0.00 C ATOM 401 CZ3 TRP A 23 -16.181 -10.101 5.951 1.00 0.00 C ATOM 402 CH2 TRP A 23 -17.537 -9.771 6.084 1.00 0.00 C ATOM 0 H TRP A 23 -16.066 -15.836 7.093 1.00 0.00 H new ATOM 0 HA TRP A 23 -16.455 -16.465 4.196 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -14.679 -14.361 5.512 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -15.104 -14.467 3.815 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -18.283 -15.276 4.797 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -19.843 -13.291 5.337 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -14.752 -11.655 5.520 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -19.561 -10.502 5.998 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -15.426 -9.344 6.103 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -17.825 -8.761 6.335 1.00 0.00 H new ATOM 413 N GLU A 24 -13.765 -16.816 3.877 1.00 0.00 N ATOM 414 CA GLU A 24 -12.484 -17.569 3.732 1.00 0.00 C ATOM 415 C GLU A 24 -11.306 -16.606 3.852 1.00 0.00 C ATOM 416 O GLU A 24 -11.171 -15.670 3.093 1.00 0.00 O ATOM 417 CB GLU A 24 -12.464 -18.241 2.360 1.00 0.00 C ATOM 418 CG GLU A 24 -13.531 -19.340 2.310 1.00 0.00 C ATOM 419 CD GLU A 24 -13.178 -20.448 3.307 1.00 0.00 C ATOM 420 OE1 GLU A 24 -12.021 -20.525 3.688 1.00 0.00 O ATOM 421 OE2 GLU A 24 -14.069 -21.192 3.678 1.00 0.00 O ATOM 0 H GLU A 24 -14.004 -16.223 3.082 1.00 0.00 H new ATOM 0 HA GLU A 24 -12.405 -18.323 4.515 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -12.651 -17.503 1.580 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.479 -18.667 2.167 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -14.509 -18.922 2.548 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -13.596 -19.751 1.303 1.00 0.00 H new ATOM 428 N CYS A 25 -10.456 -16.839 4.818 1.00 0.00 N ATOM 429 CA CYS A 25 -9.280 -15.954 5.031 1.00 0.00 C ATOM 430 C CYS A 25 -8.105 -16.430 4.177 1.00 0.00 C ATOM 431 O CYS A 25 -7.821 -17.609 4.097 1.00 0.00 O ATOM 432 CB CYS A 25 -8.893 -16.004 6.512 1.00 0.00 C ATOM 433 SG CYS A 25 -10.398 -16.071 7.516 1.00 0.00 S ATOM 0 H CYS A 25 -10.531 -17.616 5.475 1.00 0.00 H new ATOM 0 HA CYS A 25 -9.531 -14.933 4.743 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -8.271 -16.877 6.709 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -8.303 -15.126 6.776 1.00 0.00 H new ATOM 0 HG CYS A 25 -10.842 -14.865 7.713 1.00 0.00 H new ATOM 439 N GLU A 26 -7.412 -15.513 3.550 1.00 0.00 N ATOM 440 CA GLU A 26 -6.236 -15.886 2.709 1.00 0.00 C ATOM 441 C GLU A 26 -5.059 -14.987 3.083 1.00 0.00 C ATOM 442 O GLU A 26 -5.136 -13.776 3.001 1.00 0.00 O ATOM 443 CB GLU A 26 -6.591 -15.703 1.234 1.00 0.00 C ATOM 444 CG GLU A 26 -5.398 -16.110 0.369 1.00 0.00 C ATOM 445 CD GLU A 26 -5.777 -16.007 -1.108 1.00 0.00 C ATOM 446 OE1 GLU A 26 -6.959 -15.907 -1.393 1.00 0.00 O ATOM 447 OE2 GLU A 26 -4.876 -16.028 -1.931 1.00 0.00 O ATOM 0 H GLU A 26 -7.613 -14.514 3.586 1.00 0.00 H new ATOM 0 HA GLU A 26 -5.965 -16.928 2.880 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -7.461 -16.308 0.980 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.858 -14.664 1.039 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.545 -15.466 0.582 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.094 -17.130 0.607 1.00 0.00 H new ATOM 454 N SER A 27 -3.969 -15.575 3.509 1.00 0.00 N ATOM 455 CA SER A 27 -2.780 -14.767 3.908 1.00 0.00 C ATOM 456 C SER A 27 -1.782 -14.736 2.757 1.00 0.00 C ATOM 457 O SER A 27 -1.299 -15.757 2.309 1.00 0.00 O ATOM 458 CB SER A 27 -2.126 -15.404 5.133 1.00 0.00 C ATOM 459 OG SER A 27 -0.911 -14.725 5.428 1.00 0.00 O ATOM 0 H SER A 27 -3.853 -16.585 3.597 1.00 0.00 H new ATOM 0 HA SER A 27 -3.090 -13.750 4.148 1.00 0.00 H new ATOM 0 HB2 SER A 27 -2.801 -15.352 5.987 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.929 -16.460 4.946 1.00 0.00 H new ATOM 0 HG SER A 27 -0.491 -15.132 6.215 1.00 0.00 H new ATOM 465 N ILE A 28 -1.467 -13.565 2.279 1.00 0.00 N ATOM 466 CA ILE A 28 -0.495 -13.444 1.159 1.00 0.00 C ATOM 467 C ILE A 28 0.335 -12.181 1.356 1.00 0.00 C ATOM 468 O ILE A 28 -0.157 -11.169 1.816 1.00 0.00 O ATOM 469 CB ILE A 28 -1.252 -13.369 -0.178 1.00 0.00 C ATOM 470 CG1 ILE A 28 -0.276 -12.969 -1.331 1.00 0.00 C ATOM 471 CG2 ILE A 28 -2.412 -12.366 -0.056 1.00 0.00 C ATOM 472 CD1 ILE A 28 -0.352 -11.466 -1.650 1.00 0.00 C ATOM 0 H ILE A 28 -1.844 -12.681 2.619 1.00 0.00 H new ATOM 0 HA ILE A 28 0.162 -14.314 1.145 1.00 0.00 H new ATOM 0 HB ILE A 28 -1.665 -14.349 -0.418 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.744 -13.229 -1.050 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.516 -13.543 -2.226 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.948 -12.313 -1.003 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.094 -12.692 0.729 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -2.017 -11.381 0.193 1.00 0.00 H new ATOM 0 HD11 ILE A 28 0.342 -11.230 -2.457 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -1.366 -11.210 -1.957 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -0.086 -10.892 -0.763 1.00 0.00 H new ATOM 484 N GLU A 29 1.585 -12.227 1.003 1.00 0.00 N ATOM 485 CA GLU A 29 2.455 -11.030 1.160 1.00 0.00 C ATOM 486 C GLU A 29 2.349 -10.159 -0.093 1.00 0.00 C ATOM 487 O GLU A 29 2.523 -10.626 -1.202 1.00 0.00 O ATOM 488 CB GLU A 29 3.903 -11.493 1.353 1.00 0.00 C ATOM 489 CG GLU A 29 4.010 -12.284 2.667 1.00 0.00 C ATOM 490 CD GLU A 29 3.562 -13.734 2.443 1.00 0.00 C ATOM 491 OE1 GLU A 29 3.116 -14.036 1.349 1.00 0.00 O ATOM 492 OE2 GLU A 29 3.679 -14.517 3.369 1.00 0.00 O ATOM 0 H GLU A 29 2.046 -13.047 0.610 1.00 0.00 H new ATOM 0 HA GLU A 29 2.140 -10.448 2.026 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.213 -12.115 0.514 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.572 -10.633 1.377 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.037 -12.264 3.031 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.391 -11.818 3.434 1.00 0.00 H new ATOM 499 N GLU A 30 2.055 -8.892 0.074 1.00 0.00 N ATOM 500 CA GLU A 30 1.924 -7.989 -1.112 1.00 0.00 C ATOM 501 C GLU A 30 2.454 -6.595 -0.775 1.00 0.00 C ATOM 502 O GLU A 30 2.503 -6.193 0.371 1.00 0.00 O ATOM 503 CB GLU A 30 0.448 -7.889 -1.508 1.00 0.00 C ATOM 504 CG GLU A 30 0.303 -6.999 -2.743 1.00 0.00 C ATOM 505 CD GLU A 30 -1.152 -7.009 -3.214 1.00 0.00 C ATOM 506 OE1 GLU A 30 -1.993 -7.487 -2.470 1.00 0.00 O ATOM 507 OE2 GLU A 30 -1.400 -6.539 -4.311 1.00 0.00 O ATOM 0 H GLU A 30 1.901 -8.445 0.978 1.00 0.00 H new ATOM 0 HA GLU A 30 2.504 -8.398 -1.939 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.049 -8.882 -1.715 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.133 -7.478 -0.682 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.613 -5.981 -2.508 1.00 0.00 H new ATOM 0 HG3 GLU A 30 0.956 -7.355 -3.539 1.00 0.00 H new ATOM 514 N VAL A 31 2.849 -5.858 -1.777 1.00 0.00 N ATOM 515 CA VAL A 31 3.379 -4.487 -1.550 1.00 0.00 C ATOM 516 C VAL A 31 2.264 -3.572 -1.029 1.00 0.00 C ATOM 517 O VAL A 31 1.150 -3.591 -1.513 1.00 0.00 O ATOM 518 CB VAL A 31 3.921 -3.940 -2.871 1.00 0.00 C ATOM 519 CG1 VAL A 31 4.351 -2.483 -2.691 1.00 0.00 C ATOM 520 CG2 VAL A 31 5.127 -4.776 -3.303 1.00 0.00 C ATOM 0 H VAL A 31 2.826 -6.152 -2.753 1.00 0.00 H new ATOM 0 HA VAL A 31 4.177 -4.523 -0.809 1.00 0.00 H new ATOM 0 HB VAL A 31 3.143 -3.992 -3.632 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.736 -2.098 -3.635 1.00 0.00 H new ATOM 0 HG12 VAL A 31 3.494 -1.887 -2.379 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.130 -2.425 -1.931 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.518 -4.391 -4.245 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.902 -4.720 -2.538 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.822 -5.814 -3.434 1.00 0.00 H new ATOM 530 N ALA A 32 2.562 -2.781 -0.035 1.00 0.00 N ATOM 531 CA ALA A 32 1.535 -1.865 0.539 1.00 0.00 C ATOM 532 C ALA A 32 0.986 -0.945 -0.559 1.00 0.00 C ATOM 533 O ALA A 32 -0.199 -0.707 -0.648 1.00 0.00 O ATOM 534 CB ALA A 32 2.191 -1.009 1.621 1.00 0.00 C ATOM 0 H ALA A 32 3.480 -2.729 0.408 1.00 0.00 H new ATOM 0 HA ALA A 32 0.718 -2.451 0.961 1.00 0.00 H new ATOM 0 HB1 ALA A 32 1.450 -0.334 2.050 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.590 -1.654 2.404 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.002 -0.427 1.183 1.00 0.00 H new ATOM 540 N ASP A 33 1.846 -0.420 -1.386 1.00 0.00 N ATOM 541 CA ASP A 33 1.397 0.502 -2.474 1.00 0.00 C ATOM 542 C ASP A 33 0.470 -0.240 -3.444 1.00 0.00 C ATOM 543 O ASP A 33 -0.444 0.333 -4.003 1.00 0.00 O ATOM 544 CB ASP A 33 2.633 1.009 -3.218 1.00 0.00 C ATOM 545 CG ASP A 33 2.225 2.013 -4.298 1.00 0.00 C ATOM 546 OD1 ASP A 33 1.036 2.173 -4.517 1.00 0.00 O ATOM 547 OD2 ASP A 33 3.115 2.604 -4.890 1.00 0.00 O ATOM 0 H ASP A 33 2.851 -0.590 -1.357 1.00 0.00 H new ATOM 0 HA ASP A 33 0.847 1.341 -2.047 1.00 0.00 H new ATOM 0 HB2 ASP A 33 3.322 1.479 -2.516 1.00 0.00 H new ATOM 0 HB3 ASP A 33 3.163 0.171 -3.672 1.00 0.00 H new ATOM 552 N ASP A 34 0.706 -1.504 -3.659 1.00 0.00 N ATOM 553 CA ASP A 34 -0.159 -2.278 -4.603 1.00 0.00 C ATOM 554 C ASP A 34 -1.576 -2.420 -4.035 1.00 0.00 C ATOM 555 O ASP A 34 -2.501 -2.757 -4.750 1.00 0.00 O ATOM 556 CB ASP A 34 0.438 -3.672 -4.810 1.00 0.00 C ATOM 557 CG ASP A 34 1.661 -3.580 -5.722 1.00 0.00 C ATOM 558 OD1 ASP A 34 2.099 -2.472 -5.984 1.00 0.00 O ATOM 559 OD2 ASP A 34 2.139 -4.620 -6.143 1.00 0.00 O ATOM 0 H ASP A 34 1.459 -2.037 -3.224 1.00 0.00 H new ATOM 0 HA ASP A 34 -0.207 -1.745 -5.553 1.00 0.00 H new ATOM 0 HB2 ASP A 34 0.721 -4.103 -3.850 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -0.307 -4.335 -5.250 1.00 0.00 H new ATOM 564 N ILE A 35 -1.754 -2.174 -2.759 1.00 0.00 N ATOM 565 CA ILE A 35 -3.114 -2.300 -2.135 1.00 0.00 C ATOM 566 C ILE A 35 -3.552 -0.953 -1.572 1.00 0.00 C ATOM 567 O ILE A 35 -4.731 -0.674 -1.455 1.00 0.00 O ATOM 568 CB ILE A 35 -3.059 -3.332 -1.003 1.00 0.00 C ATOM 569 CG1 ILE A 35 -4.418 -3.380 -0.287 1.00 0.00 C ATOM 570 CG2 ILE A 35 -1.962 -2.956 -0.003 1.00 0.00 C ATOM 571 CD1 ILE A 35 -4.536 -4.676 0.523 1.00 0.00 C ATOM 0 H ILE A 35 -1.013 -1.890 -2.118 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.829 -2.622 -2.892 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.834 -4.312 -1.423 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.522 -2.518 0.372 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.226 -3.322 -1.017 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.931 -3.695 0.798 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.999 -2.931 -0.512 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.175 -1.974 0.418 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.502 -4.703 1.028 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -4.452 -5.532 -0.146 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -3.738 -4.716 1.264 1.00 0.00 H new ATOM 583 N LEU A 36 -2.614 -0.120 -1.210 1.00 0.00 N ATOM 584 CA LEU A 36 -2.960 1.216 -0.638 1.00 0.00 C ATOM 585 C LEU A 36 -2.617 2.315 -1.652 1.00 0.00 C ATOM 586 O LEU A 36 -1.466 2.672 -1.811 1.00 0.00 O ATOM 587 CB LEU A 36 -2.144 1.435 0.641 1.00 0.00 C ATOM 588 CG LEU A 36 -2.791 0.661 1.811 1.00 0.00 C ATOM 589 CD1 LEU A 36 -1.719 0.266 2.831 1.00 0.00 C ATOM 590 CD2 LEU A 36 -3.849 1.542 2.496 1.00 0.00 C ATOM 0 H LEU A 36 -1.614 -0.308 -1.286 1.00 0.00 H new ATOM 0 HA LEU A 36 -4.026 1.254 -0.412 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.119 1.097 0.492 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -2.098 2.498 0.877 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.266 -0.239 1.420 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.182 -0.279 3.653 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.974 -0.368 2.349 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.236 1.164 3.218 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.302 0.992 3.320 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.376 2.446 2.880 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.619 1.814 1.774 1.00 0.00 H new ATOM 602 N PRO A 37 -3.596 2.869 -2.326 1.00 0.00 N ATOM 603 CA PRO A 37 -3.353 3.955 -3.317 1.00 0.00 C ATOM 604 C PRO A 37 -2.465 5.072 -2.755 1.00 0.00 C ATOM 605 O PRO A 37 -2.308 5.218 -1.558 1.00 0.00 O ATOM 606 CB PRO A 37 -4.764 4.480 -3.623 1.00 0.00 C ATOM 607 CG PRO A 37 -5.657 3.307 -3.394 1.00 0.00 C ATOM 608 CD PRO A 37 -5.030 2.526 -2.240 1.00 0.00 C ATOM 0 HA PRO A 37 -2.821 3.594 -4.197 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -5.028 5.313 -2.971 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -4.839 4.842 -4.648 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -6.668 3.628 -3.145 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.730 2.690 -4.290 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -5.455 2.819 -1.280 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -5.193 1.454 -2.347 1.00 0.00 H new ATOM 616 N ASP A 38 -1.877 5.852 -3.618 1.00 0.00 N ATOM 617 CA ASP A 38 -0.993 6.958 -3.154 1.00 0.00 C ATOM 618 C ASP A 38 -1.766 7.838 -2.169 1.00 0.00 C ATOM 619 O ASP A 38 -1.222 8.736 -1.556 1.00 0.00 O ATOM 620 CB ASP A 38 -0.553 7.784 -4.362 1.00 0.00 C ATOM 621 CG ASP A 38 -1.785 8.276 -5.121 1.00 0.00 C ATOM 622 OD1 ASP A 38 -2.874 8.165 -4.581 1.00 0.00 O ATOM 623 OD2 ASP A 38 -1.620 8.755 -6.231 1.00 0.00 O ATOM 0 H ASP A 38 -1.971 5.771 -4.630 1.00 0.00 H new ATOM 0 HA ASP A 38 -0.112 6.552 -2.656 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.049 8.632 -4.036 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.075 7.181 -5.018 1.00 0.00 H new ATOM 628 N GLN A 39 -3.033 7.580 -2.016 1.00 0.00 N ATOM 629 CA GLN A 39 -3.864 8.381 -1.077 1.00 0.00 C ATOM 630 C GLN A 39 -3.293 8.273 0.339 1.00 0.00 C ATOM 631 O GLN A 39 -3.281 9.232 1.086 1.00 0.00 O ATOM 632 CB GLN A 39 -5.287 7.826 -1.098 1.00 0.00 C ATOM 633 CG GLN A 39 -5.919 8.111 -2.464 1.00 0.00 C ATOM 634 CD GLN A 39 -7.322 7.507 -2.523 1.00 0.00 C ATOM 635 OE1 GLN A 39 -7.817 6.986 -1.542 1.00 0.00 O ATOM 636 NE2 GLN A 39 -7.989 7.550 -3.645 1.00 0.00 N ATOM 0 H GLN A 39 -3.534 6.840 -2.507 1.00 0.00 H new ATOM 0 HA GLN A 39 -3.864 9.428 -1.379 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -5.274 6.753 -0.907 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -5.880 8.284 -0.307 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -5.969 9.186 -2.634 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -5.299 7.691 -3.256 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -7.575 7.987 -4.468 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -8.924 7.147 -3.698 1.00 0.00 H new ATOM 645 N TYR A 40 -2.820 7.111 0.713 1.00 0.00 N ATOM 646 CA TYR A 40 -2.247 6.930 2.082 1.00 0.00 C ATOM 647 C TYR A 40 -0.976 6.082 1.982 1.00 0.00 C ATOM 648 O TYR A 40 -0.920 4.957 2.437 1.00 0.00 O ATOM 649 CB TYR A 40 -3.279 6.236 2.972 1.00 0.00 C ATOM 650 CG TYR A 40 -4.491 7.129 3.106 1.00 0.00 C ATOM 651 CD1 TYR A 40 -4.490 8.179 4.034 1.00 0.00 C ATOM 652 CD2 TYR A 40 -5.615 6.912 2.299 1.00 0.00 C ATOM 653 CE1 TYR A 40 -5.611 9.009 4.156 1.00 0.00 C ATOM 654 CE2 TYR A 40 -6.736 7.744 2.421 1.00 0.00 C ATOM 655 CZ TYR A 40 -6.735 8.791 3.349 1.00 0.00 C ATOM 656 OH TYR A 40 -7.842 9.609 3.467 1.00 0.00 O ATOM 0 H TYR A 40 -2.806 6.276 0.127 1.00 0.00 H new ATOM 0 HA TYR A 40 -1.998 7.898 2.518 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -3.564 5.276 2.541 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -2.852 6.030 3.954 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -3.623 8.348 4.656 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -5.618 6.104 1.583 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -5.609 9.817 4.872 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -7.602 7.577 1.798 1.00 0.00 H new ATOM 0 HH TYR A 40 -8.531 9.320 2.833 1.00 0.00 H new ATOM 666 N VAL A 41 0.046 6.630 1.381 1.00 0.00 N ATOM 667 CA VAL A 41 1.336 5.889 1.229 1.00 0.00 C ATOM 668 C VAL A 41 2.479 6.901 1.061 1.00 0.00 C ATOM 669 O VAL A 41 3.628 6.605 1.326 1.00 0.00 O ATOM 670 CB VAL A 41 1.264 4.973 -0.003 1.00 0.00 C ATOM 671 CG1 VAL A 41 2.649 4.396 -0.300 1.00 0.00 C ATOM 672 CG2 VAL A 41 0.283 3.823 0.261 1.00 0.00 C ATOM 0 H VAL A 41 0.044 7.570 0.984 1.00 0.00 H new ATOM 0 HA VAL A 41 1.517 5.279 2.114 1.00 0.00 H new ATOM 0 HB VAL A 41 0.921 5.555 -0.858 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.593 3.747 -1.174 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.348 5.209 -0.496 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.995 3.820 0.558 1.00 0.00 H new ATOM 0 HG21 VAL A 41 0.236 3.177 -0.615 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.623 3.245 1.120 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.707 4.229 0.466 1.00 0.00 H new ATOM 682 N ARG A 42 2.169 8.094 0.630 1.00 0.00 N ATOM 683 CA ARG A 42 3.223 9.130 0.455 1.00 0.00 C ATOM 684 C ARG A 42 3.901 9.378 1.809 1.00 0.00 C ATOM 685 O ARG A 42 4.825 10.159 1.921 1.00 0.00 O ATOM 686 CB ARG A 42 2.577 10.426 -0.048 1.00 0.00 C ATOM 687 CG ARG A 42 1.798 10.169 -1.351 1.00 0.00 C ATOM 688 CD ARG A 42 2.762 10.114 -2.544 1.00 0.00 C ATOM 689 NE ARG A 42 1.989 9.974 -3.810 1.00 0.00 N ATOM 690 CZ ARG A 42 1.450 11.020 -4.377 1.00 0.00 C ATOM 691 NH1 ARG A 42 1.566 12.197 -3.827 1.00 0.00 N ATOM 692 NH2 ARG A 42 0.796 10.883 -5.496 1.00 0.00 N ATOM 0 H ARG A 42 1.224 8.396 0.391 1.00 0.00 H new ATOM 0 HA ARG A 42 3.965 8.795 -0.270 1.00 0.00 H new ATOM 0 HB2 ARG A 42 1.905 10.823 0.712 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.345 11.180 -0.219 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.248 9.231 -1.275 1.00 0.00 H new ATOM 0 HG3 ARG A 42 1.062 10.958 -1.505 1.00 0.00 H new ATOM 0 HD2 ARG A 42 3.369 11.019 -2.575 1.00 0.00 H new ATOM 0 HD3 ARG A 42 3.448 9.274 -2.431 1.00 0.00 H new ATOM 0 HE ARG A 42 1.880 9.054 -4.237 1.00 0.00 H new ATOM 0 HH11 ARG A 42 2.079 12.303 -2.952 1.00 0.00 H new ATOM 0 HH12 ARG A 42 1.144 13.012 -4.272 1.00 0.00 H new ATOM 0 HH21 ARG A 42 0.707 9.962 -5.925 1.00 0.00 H new ATOM 0 HH22 ARG A 42 0.373 11.697 -5.943 1.00 0.00 H new ATOM 706 N LEU A 43 3.436 8.724 2.836 1.00 0.00 N ATOM 707 CA LEU A 43 4.037 8.918 4.185 1.00 0.00 C ATOM 708 C LEU A 43 5.503 8.478 4.159 1.00 0.00 C ATOM 709 O LEU A 43 6.363 9.132 4.716 1.00 0.00 O ATOM 710 CB LEU A 43 3.254 8.074 5.196 1.00 0.00 C ATOM 711 CG LEU A 43 1.961 8.799 5.600 1.00 0.00 C ATOM 712 CD1 LEU A 43 2.275 10.067 6.426 1.00 0.00 C ATOM 713 CD2 LEU A 43 1.182 9.174 4.331 1.00 0.00 C ATOM 0 H LEU A 43 2.662 8.061 2.799 1.00 0.00 H new ATOM 0 HA LEU A 43 3.990 9.969 4.470 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.015 7.103 4.763 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.867 7.888 6.078 1.00 0.00 H new ATOM 0 HG LEU A 43 1.359 8.135 6.221 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.344 10.563 6.700 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.817 9.788 7.330 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.886 10.746 5.832 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.262 9.689 4.608 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.792 9.829 3.710 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.938 8.270 3.774 1.00 0.00 H new ATOM 725 N GLY A 44 5.792 7.379 3.509 1.00 0.00 N ATOM 726 CA GLY A 44 7.206 6.885 3.426 1.00 0.00 C ATOM 727 C GLY A 44 7.290 5.452 3.970 1.00 0.00 C ATOM 728 O GLY A 44 7.529 4.525 3.228 1.00 0.00 O ATOM 0 H GLY A 44 5.106 6.797 3.028 1.00 0.00 H new ATOM 0 HA2 GLY A 44 7.550 6.912 2.392 1.00 0.00 H new ATOM 0 HA3 GLY A 44 7.864 7.540 3.998 1.00 0.00 H new ATOM 732 N PRO A 45 7.093 5.265 5.255 1.00 0.00 N ATOM 733 CA PRO A 45 7.146 3.907 5.881 1.00 0.00 C ATOM 734 C PRO A 45 6.234 2.909 5.156 1.00 0.00 C ATOM 735 O PRO A 45 6.562 1.749 4.998 1.00 0.00 O ATOM 736 CB PRO A 45 6.661 4.142 7.323 1.00 0.00 C ATOM 737 CG PRO A 45 6.915 5.591 7.596 1.00 0.00 C ATOM 738 CD PRO A 45 6.800 6.313 6.249 1.00 0.00 C ATOM 0 HA PRO A 45 8.145 3.474 5.833 1.00 0.00 H new ATOM 0 HB2 PRO A 45 5.603 3.902 7.426 1.00 0.00 H new ATOM 0 HB3 PRO A 45 7.201 3.509 8.027 1.00 0.00 H new ATOM 0 HG2 PRO A 45 6.191 5.984 8.310 1.00 0.00 H new ATOM 0 HG3 PRO A 45 7.904 5.736 8.031 1.00 0.00 H new ATOM 0 HD2 PRO A 45 5.804 6.732 6.105 1.00 0.00 H new ATOM 0 HD3 PRO A 45 7.507 7.139 6.178 1.00 0.00 H new ATOM 746 N LEU A 46 5.093 3.356 4.714 1.00 0.00 N ATOM 747 CA LEU A 46 4.161 2.447 3.993 1.00 0.00 C ATOM 748 C LEU A 46 4.585 2.403 2.522 1.00 0.00 C ATOM 749 O LEU A 46 4.052 1.655 1.723 1.00 0.00 O ATOM 750 CB LEU A 46 2.734 3.002 4.107 1.00 0.00 C ATOM 751 CG LEU A 46 2.332 3.132 5.586 1.00 0.00 C ATOM 752 CD1 LEU A 46 0.926 3.742 5.681 1.00 0.00 C ATOM 753 CD2 LEU A 46 2.342 1.749 6.260 1.00 0.00 C ATOM 0 H LEU A 46 4.765 4.316 4.822 1.00 0.00 H new ATOM 0 HA LEU A 46 4.189 1.444 4.420 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.674 3.975 3.619 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.037 2.343 3.590 1.00 0.00 H new ATOM 0 HG LEU A 46 3.047 3.779 6.095 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.640 3.835 6.729 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.925 4.728 5.216 1.00 0.00 H new ATOM 0 HD13 LEU A 46 0.214 3.097 5.166 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.056 1.852 7.307 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.635 1.092 5.754 1.00 0.00 H new ATOM 0 HD23 LEU A 46 3.343 1.321 6.198 1.00 0.00 H new ATOM 765 N SER A 47 5.540 3.220 2.164 1.00 0.00 N ATOM 766 CA SER A 47 6.014 3.269 0.749 1.00 0.00 C ATOM 767 C SER A 47 6.951 2.099 0.430 1.00 0.00 C ATOM 768 O SER A 47 7.917 1.847 1.122 1.00 0.00 O ATOM 769 CB SER A 47 6.752 4.589 0.531 1.00 0.00 C ATOM 770 OG SER A 47 8.112 4.433 0.912 1.00 0.00 O ATOM 0 H SER A 47 6.017 3.862 2.798 1.00 0.00 H new ATOM 0 HA SER A 47 5.152 3.194 0.087 1.00 0.00 H new ATOM 0 HB2 SER A 47 6.687 4.887 -0.515 1.00 0.00 H new ATOM 0 HB3 SER A 47 6.286 5.381 1.118 1.00 0.00 H new ATOM 0 HG SER A 47 8.162 4.228 1.869 1.00 0.00 H new ATOM 776 N ASN A 48 6.668 1.402 -0.640 1.00 0.00 N ATOM 777 CA ASN A 48 7.523 0.255 -1.062 1.00 0.00 C ATOM 778 C ASN A 48 7.753 -0.691 0.115 1.00 0.00 C ATOM 779 O ASN A 48 8.791 -1.319 0.219 1.00 0.00 O ATOM 780 CB ASN A 48 8.869 0.773 -1.580 1.00 0.00 C ATOM 781 CG ASN A 48 9.641 -0.378 -2.235 1.00 0.00 C ATOM 782 OD1 ASN A 48 10.615 -0.858 -1.689 1.00 0.00 O ATOM 783 ND2 ASN A 48 9.244 -0.841 -3.390 1.00 0.00 N ATOM 0 H ASN A 48 5.869 1.583 -1.247 1.00 0.00 H new ATOM 0 HA ASN A 48 7.015 -0.288 -1.859 1.00 0.00 H new ATOM 0 HB2 ASN A 48 8.709 1.575 -2.301 1.00 0.00 H new ATOM 0 HB3 ASN A 48 9.449 1.194 -0.759 1.00 0.00 H new ATOM 0 HD21 ASN A 48 9.751 -1.606 -3.834 1.00 0.00 H new ATOM 0 HD22 ASN A 48 8.426 -0.438 -3.847 1.00 0.00 H new ATOM 790 N LYS A 49 6.794 -0.804 0.999 1.00 0.00 N ATOM 791 CA LYS A 49 6.949 -1.717 2.174 1.00 0.00 C ATOM 792 C LYS A 49 6.037 -2.933 2.016 1.00 0.00 C ATOM 793 O LYS A 49 4.838 -2.817 1.847 1.00 0.00 O ATOM 794 CB LYS A 49 6.591 -0.962 3.450 1.00 0.00 C ATOM 795 CG LYS A 49 6.811 -1.883 4.656 1.00 0.00 C ATOM 796 CD LYS A 49 6.615 -1.101 5.968 1.00 0.00 C ATOM 797 CE LYS A 49 7.931 -0.430 6.382 1.00 0.00 C ATOM 798 NZ LYS A 49 7.702 0.405 7.594 1.00 0.00 N ATOM 0 H LYS A 49 5.907 -0.302 0.958 1.00 0.00 H new ATOM 0 HA LYS A 49 7.982 -2.059 2.232 1.00 0.00 H new ATOM 0 HB2 LYS A 49 7.207 -0.067 3.543 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.553 -0.632 3.413 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.113 -2.719 4.616 1.00 0.00 H new ATOM 0 HG3 LYS A 49 7.816 -2.304 4.622 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.838 -0.347 5.839 1.00 0.00 H new ATOM 0 HD3 LYS A 49 6.278 -1.775 6.755 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.689 -1.186 6.586 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.309 0.188 5.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.594 0.860 7.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.992 1.135 7.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 7.360 -0.197 8.371 1.00 0.00 H new ATOM 812 N ILE A 50 6.612 -4.103 2.073 1.00 0.00 N ATOM 813 CA ILE A 50 5.817 -5.350 1.930 1.00 0.00 C ATOM 814 C ILE A 50 5.199 -5.713 3.276 1.00 0.00 C ATOM 815 O ILE A 50 5.880 -5.779 4.280 1.00 0.00 O ATOM 816 CB ILE A 50 6.741 -6.475 1.467 1.00 0.00 C ATOM 817 CG1 ILE A 50 7.232 -6.181 0.042 1.00 0.00 C ATOM 818 CG2 ILE A 50 5.983 -7.805 1.481 1.00 0.00 C ATOM 819 CD1 ILE A 50 8.161 -4.956 0.027 1.00 0.00 C ATOM 0 H ILE A 50 7.612 -4.247 2.214 1.00 0.00 H new ATOM 0 HA ILE A 50 5.022 -5.204 1.199 1.00 0.00 H new ATOM 0 HB ILE A 50 7.595 -6.540 2.141 1.00 0.00 H new ATOM 0 HG12 ILE A 50 7.761 -7.049 -0.352 1.00 0.00 H new ATOM 0 HG13 ILE A 50 6.378 -6.004 -0.612 1.00 0.00 H new ATOM 0 HG21 ILE A 50 6.645 -8.605 1.150 1.00 0.00 H new ATOM 0 HG22 ILE A 50 5.637 -8.016 2.493 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.126 -7.743 0.810 1.00 0.00 H new ATOM 0 HD11 ILE A 50 8.497 -4.766 -0.993 1.00 0.00 H new ATOM 0 HD12 ILE A 50 7.621 -4.085 0.399 1.00 0.00 H new ATOM 0 HD13 ILE A 50 9.025 -5.147 0.664 1.00 0.00 H new ATOM 831 N LEU A 51 3.908 -5.951 3.307 1.00 0.00 N ATOM 832 CA LEU A 51 3.237 -6.311 4.593 1.00 0.00 C ATOM 833 C LEU A 51 2.293 -7.496 4.392 1.00 0.00 C ATOM 834 O LEU A 51 1.997 -7.904 3.282 1.00 0.00 O ATOM 835 CB LEU A 51 2.477 -5.089 5.135 1.00 0.00 C ATOM 836 CG LEU A 51 1.157 -4.865 4.400 1.00 0.00 C ATOM 837 CD1 LEU A 51 0.570 -3.538 4.884 1.00 0.00 C ATOM 838 CD2 LEU A 51 1.396 -4.789 2.884 1.00 0.00 C ATOM 0 H LEU A 51 3.292 -5.911 2.495 1.00 0.00 H new ATOM 0 HA LEU A 51 3.992 -6.607 5.321 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.281 -5.226 6.198 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.102 -4.201 5.038 1.00 0.00 H new ATOM 0 HG LEU A 51 0.475 -5.691 4.603 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.376 -3.351 4.375 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.400 -3.586 5.960 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.267 -2.730 4.663 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.446 -4.629 2.374 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.071 -3.962 2.663 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.841 -5.722 2.539 1.00 0.00 H new ATOM 850 N GLN A 52 1.834 -8.062 5.474 1.00 0.00 N ATOM 851 CA GLN A 52 0.920 -9.226 5.381 1.00 0.00 C ATOM 852 C GLN A 52 -0.485 -8.731 5.062 1.00 0.00 C ATOM 853 O GLN A 52 -1.055 -7.946 5.796 1.00 0.00 O ATOM 854 CB GLN A 52 0.915 -9.962 6.724 1.00 0.00 C ATOM 855 CG GLN A 52 0.040 -11.216 6.642 1.00 0.00 C ATOM 856 CD GLN A 52 0.648 -12.198 5.639 1.00 0.00 C ATOM 857 OE1 GLN A 52 0.417 -12.092 4.452 1.00 0.00 O ATOM 858 NE2 GLN A 52 1.426 -13.154 6.070 1.00 0.00 N ATOM 0 H GLN A 52 2.057 -7.763 6.423 1.00 0.00 H new ATOM 0 HA GLN A 52 1.253 -9.904 4.595 1.00 0.00 H new ATOM 0 HB2 GLN A 52 1.933 -10.238 6.998 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.542 -9.301 7.507 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -0.037 -11.683 7.624 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -0.971 -10.947 6.337 1.00 0.00 H new ATOM 0 HE21 GLN A 52 1.620 -13.243 7.067 1.00 0.00 H new ATOM 0 HE22 GLN A 52 1.840 -13.812 5.409 1.00 0.00 H new ATOM 867 N THR A 53 -1.050 -9.188 3.974 1.00 0.00 N ATOM 868 CA THR A 53 -2.425 -8.758 3.593 1.00 0.00 C ATOM 869 C THR A 53 -3.378 -9.940 3.722 1.00 0.00 C ATOM 870 O THR A 53 -3.259 -10.929 3.024 1.00 0.00 O ATOM 871 CB THR A 53 -2.414 -8.254 2.150 1.00 0.00 C ATOM 872 OG1 THR A 53 -1.626 -7.073 2.076 1.00 0.00 O ATOM 873 CG2 THR A 53 -3.844 -7.948 1.702 1.00 0.00 C ATOM 0 H THR A 53 -0.612 -9.846 3.329 1.00 0.00 H new ATOM 0 HA THR A 53 -2.757 -7.956 4.252 1.00 0.00 H new ATOM 0 HB THR A 53 -1.991 -9.018 1.497 1.00 0.00 H new ATOM 0 HG1 THR A 53 -1.613 -6.745 1.152 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.834 -7.589 0.673 1.00 0.00 H new ATOM 0 HG22 THR A 53 -4.447 -8.854 1.764 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.272 -7.183 2.349 1.00 0.00 H new ATOM 881 N ASN A 54 -4.329 -9.838 4.612 1.00 0.00 N ATOM 882 CA ASN A 54 -5.311 -10.940 4.804 1.00 0.00 C ATOM 883 C ASN A 54 -6.618 -10.551 4.119 1.00 0.00 C ATOM 884 O ASN A 54 -7.374 -9.734 4.608 1.00 0.00 O ATOM 885 CB ASN A 54 -5.544 -11.148 6.299 1.00 0.00 C ATOM 886 CG ASN A 54 -6.451 -12.358 6.501 1.00 0.00 C ATOM 887 OD1 ASN A 54 -7.240 -12.690 5.640 1.00 0.00 O ATOM 888 ND2 ASN A 54 -6.368 -13.040 7.608 1.00 0.00 N ATOM 0 H ASN A 54 -4.467 -9.030 5.219 1.00 0.00 H new ATOM 0 HA ASN A 54 -4.934 -11.867 4.371 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -4.593 -11.302 6.810 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -6.000 -10.259 6.735 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -6.966 -13.854 7.752 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -5.705 -12.760 8.331 1.00 0.00 H new ATOM 895 N THR A 55 -6.878 -11.124 2.976 1.00 0.00 N ATOM 896 CA THR A 55 -8.121 -10.793 2.225 1.00 0.00 C ATOM 897 C THR A 55 -9.187 -11.841 2.519 1.00 0.00 C ATOM 898 O THR A 55 -8.942 -13.029 2.436 1.00 0.00 O ATOM 899 CB THR A 55 -7.809 -10.789 0.731 1.00 0.00 C ATOM 900 OG1 THR A 55 -6.798 -9.824 0.471 1.00 0.00 O ATOM 901 CG2 THR A 55 -9.071 -10.434 -0.056 1.00 0.00 C ATOM 0 H THR A 55 -6.276 -11.814 2.526 1.00 0.00 H new ATOM 0 HA THR A 55 -8.487 -9.813 2.529 1.00 0.00 H new ATOM 0 HB THR A 55 -7.463 -11.776 0.425 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.591 -9.817 -0.487 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.846 -10.432 -1.123 1.00 0.00 H new ATOM 0 HG22 THR A 55 -9.847 -11.171 0.150 1.00 0.00 H new ATOM 0 HG23 THR A 55 -9.420 -9.446 0.243 1.00 0.00 H new ATOM 909 N TYR A 56 -10.372 -11.407 2.865 1.00 0.00 N ATOM 910 CA TYR A 56 -11.472 -12.366 3.174 1.00 0.00 C ATOM 911 C TYR A 56 -12.505 -12.308 2.050 1.00 0.00 C ATOM 912 O TYR A 56 -12.837 -11.250 1.557 1.00 0.00 O ATOM 913 CB TYR A 56 -12.128 -11.955 4.490 1.00 0.00 C ATOM 914 CG TYR A 56 -11.063 -11.807 5.551 1.00 0.00 C ATOM 915 CD1 TYR A 56 -10.381 -10.592 5.688 1.00 0.00 C ATOM 916 CD2 TYR A 56 -10.757 -12.880 6.396 1.00 0.00 C ATOM 917 CE1 TYR A 56 -9.393 -10.449 6.670 1.00 0.00 C ATOM 918 CE2 TYR A 56 -9.770 -12.737 7.378 1.00 0.00 C ATOM 919 CZ TYR A 56 -9.088 -11.522 7.515 1.00 0.00 C ATOM 920 OH TYR A 56 -8.114 -11.381 8.484 1.00 0.00 O ATOM 0 H TYR A 56 -10.625 -10.422 2.947 1.00 0.00 H new ATOM 0 HA TYR A 56 -11.079 -13.379 3.260 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -12.666 -11.015 4.364 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -12.860 -12.703 4.794 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -10.617 -9.764 5.036 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -11.282 -13.818 6.290 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -8.867 -9.512 6.775 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -9.534 -13.565 8.031 1.00 0.00 H new ATOM 0 HH TYR A 56 -8.394 -11.848 9.299 1.00 0.00 H new ATOM 930 N TYR A 57 -13.018 -13.437 1.632 1.00 0.00 N ATOM 931 CA TYR A 57 -14.030 -13.428 0.534 1.00 0.00 C ATOM 932 C TYR A 57 -14.964 -14.629 0.668 1.00 0.00 C ATOM 933 O TYR A 57 -14.545 -15.731 0.960 1.00 0.00 O ATOM 934 CB TYR A 57 -13.321 -13.480 -0.822 1.00 0.00 C ATOM 935 CG TYR A 57 -12.479 -14.730 -0.923 1.00 0.00 C ATOM 936 CD1 TYR A 57 -13.031 -15.909 -1.442 1.00 0.00 C ATOM 937 CD2 TYR A 57 -11.140 -14.708 -0.515 1.00 0.00 C ATOM 938 CE1 TYR A 57 -12.245 -17.063 -1.549 1.00 0.00 C ATOM 939 CE2 TYR A 57 -10.354 -15.861 -0.625 1.00 0.00 C ATOM 940 CZ TYR A 57 -10.906 -17.039 -1.142 1.00 0.00 C ATOM 941 OH TYR A 57 -10.130 -18.176 -1.252 1.00 0.00 O ATOM 0 H TYR A 57 -12.782 -14.358 2.001 1.00 0.00 H new ATOM 0 HA TYR A 57 -14.617 -12.512 0.603 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -14.057 -13.462 -1.626 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -12.692 -12.598 -0.946 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -14.063 -15.928 -1.760 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -10.713 -13.800 -0.115 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -12.672 -17.972 -1.946 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -9.321 -15.842 -0.311 1.00 0.00 H new ATOM 0 HH TYR A 57 -9.225 -17.987 -0.926 1.00 0.00 H new ATOM 951 N SER A 58 -16.237 -14.416 0.444 1.00 0.00 N ATOM 952 CA SER A 58 -17.230 -15.529 0.542 1.00 0.00 C ATOM 953 C SER A 58 -18.218 -15.426 -0.623 1.00 0.00 C ATOM 954 O SER A 58 -18.118 -14.557 -1.465 1.00 0.00 O ATOM 955 CB SER A 58 -17.997 -15.416 1.860 1.00 0.00 C ATOM 956 OG SER A 58 -19.110 -14.552 1.681 1.00 0.00 O ATOM 0 H SER A 58 -16.634 -13.510 0.195 1.00 0.00 H new ATOM 0 HA SER A 58 -16.709 -16.486 0.504 1.00 0.00 H new ATOM 0 HB2 SER A 58 -18.334 -16.401 2.184 1.00 0.00 H new ATOM 0 HB3 SER A 58 -17.344 -15.030 2.643 1.00 0.00 H new ATOM 0 HG SER A 58 -19.605 -14.478 2.523 1.00 0.00 H new ATOM 962 N ASP A 59 -19.171 -16.316 -0.674 1.00 0.00 N ATOM 963 CA ASP A 59 -20.176 -16.285 -1.776 1.00 0.00 C ATOM 964 C ASP A 59 -20.970 -14.972 -1.728 1.00 0.00 C ATOM 965 O ASP A 59 -21.171 -14.318 -2.733 1.00 0.00 O ATOM 966 CB ASP A 59 -21.137 -17.457 -1.586 1.00 0.00 C ATOM 967 CG ASP A 59 -20.425 -18.769 -1.920 1.00 0.00 C ATOM 968 OD1 ASP A 59 -19.360 -18.711 -2.512 1.00 0.00 O ATOM 969 OD2 ASP A 59 -20.956 -19.811 -1.573 1.00 0.00 O ATOM 0 H ASP A 59 -19.298 -17.068 0.004 1.00 0.00 H new ATOM 0 HA ASP A 59 -19.668 -16.357 -2.738 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -21.498 -17.480 -0.558 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -22.009 -17.332 -2.228 1.00 0.00 H new ATOM 974 N THR A 60 -21.436 -14.592 -0.570 1.00 0.00 N ATOM 975 CA THR A 60 -22.225 -13.329 -0.455 1.00 0.00 C ATOM 976 C THR A 60 -21.339 -12.119 -0.781 1.00 0.00 C ATOM 977 O THR A 60 -21.718 -11.243 -1.531 1.00 0.00 O ATOM 978 CB THR A 60 -22.760 -13.199 0.970 1.00 0.00 C ATOM 979 OG1 THR A 60 -23.388 -14.417 1.355 1.00 0.00 O ATOM 980 CG2 THR A 60 -23.778 -12.061 1.033 1.00 0.00 C ATOM 0 H THR A 60 -21.305 -15.101 0.304 1.00 0.00 H new ATOM 0 HA THR A 60 -23.054 -13.360 -1.162 1.00 0.00 H new ATOM 0 HB THR A 60 -21.934 -12.985 1.648 1.00 0.00 H new ATOM 0 HG1 THR A 60 -23.608 -14.384 2.309 1.00 0.00 H new ATOM 0 HG21 THR A 60 -24.159 -11.969 2.050 1.00 0.00 H new ATOM 0 HG22 THR A 60 -23.298 -11.127 0.740 1.00 0.00 H new ATOM 0 HG23 THR A 60 -24.604 -12.274 0.354 1.00 0.00 H new ATOM 988 N LEU A 61 -20.161 -12.064 -0.218 1.00 0.00 N ATOM 989 CA LEU A 61 -19.249 -10.911 -0.495 1.00 0.00 C ATOM 990 C LEU A 61 -18.901 -10.903 -1.982 1.00 0.00 C ATOM 991 O LEU A 61 -18.859 -9.871 -2.623 1.00 0.00 O ATOM 992 CB LEU A 61 -17.964 -11.074 0.329 1.00 0.00 C ATOM 993 CG LEU A 61 -18.172 -10.532 1.744 1.00 0.00 C ATOM 994 CD1 LEU A 61 -19.361 -11.235 2.397 1.00 0.00 C ATOM 995 CD2 LEU A 61 -16.909 -10.788 2.572 1.00 0.00 C ATOM 0 H LEU A 61 -19.789 -12.766 0.422 1.00 0.00 H new ATOM 0 HA LEU A 61 -19.738 -9.975 -0.225 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -17.682 -12.126 0.372 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -17.143 -10.544 -0.154 1.00 0.00 H new ATOM 0 HG LEU A 61 -18.371 -9.461 1.697 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -19.505 -10.846 3.405 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -20.259 -11.055 1.806 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -19.168 -12.307 2.446 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -17.052 -10.403 3.582 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -16.714 -11.859 2.616 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -16.061 -10.283 2.108 1.00 0.00 H new ATOM 1007 N HIS A 62 -18.639 -12.051 -2.524 1.00 0.00 N ATOM 1008 CA HIS A 62 -18.283 -12.139 -3.962 1.00 0.00 C ATOM 1009 C HIS A 62 -19.478 -11.683 -4.803 1.00 0.00 C ATOM 1010 O HIS A 62 -19.337 -10.932 -5.748 1.00 0.00 O ATOM 1011 CB HIS A 62 -17.943 -13.591 -4.283 1.00 0.00 C ATOM 1012 CG HIS A 62 -17.530 -13.711 -5.720 1.00 0.00 C ATOM 1013 ND1 HIS A 62 -18.454 -13.741 -6.751 1.00 0.00 N ATOM 1014 CD2 HIS A 62 -16.299 -13.812 -6.315 1.00 0.00 C ATOM 1015 CE1 HIS A 62 -17.771 -13.856 -7.903 1.00 0.00 C ATOM 1016 NE2 HIS A 62 -16.453 -13.905 -7.695 1.00 0.00 N ATOM 0 H HIS A 62 -18.656 -12.943 -2.029 1.00 0.00 H new ATOM 0 HA HIS A 62 -17.428 -11.501 -4.186 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -17.139 -13.938 -3.634 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -18.806 -14.228 -4.089 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -15.354 -13.818 -5.792 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -18.232 -13.903 -8.878 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -15.718 -13.992 -8.396 1.00 0.00 H new ATOM 1024 N LYS A 63 -20.650 -12.135 -4.461 1.00 0.00 N ATOM 1025 CA LYS A 63 -21.868 -11.735 -5.225 1.00 0.00 C ATOM 1026 C LYS A 63 -22.120 -10.232 -5.053 1.00 0.00 C ATOM 1027 O LYS A 63 -22.451 -9.536 -5.993 1.00 0.00 O ATOM 1028 CB LYS A 63 -23.068 -12.523 -4.701 1.00 0.00 C ATOM 1029 CG LYS A 63 -24.302 -12.203 -5.547 1.00 0.00 C ATOM 1030 CD LYS A 63 -25.490 -13.045 -5.068 1.00 0.00 C ATOM 1031 CE LYS A 63 -26.718 -12.733 -5.928 1.00 0.00 C ATOM 1032 NZ LYS A 63 -27.871 -13.558 -5.467 1.00 0.00 N ATOM 0 H LYS A 63 -20.820 -12.769 -3.680 1.00 0.00 H new ATOM 0 HA LYS A 63 -21.722 -11.950 -6.284 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -22.857 -13.592 -4.737 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -23.255 -12.270 -3.657 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -24.542 -11.142 -5.471 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -24.098 -12.409 -6.598 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -25.247 -14.106 -5.133 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -25.702 -12.830 -4.021 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -26.964 -11.674 -5.858 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -26.504 -12.942 -6.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -28.705 -13.346 -6.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -27.634 -14.567 -5.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -28.080 -13.338 -4.472 1.00 0.00 H new ATOM 1046 N SER A 64 -21.973 -9.731 -3.858 1.00 0.00 N ATOM 1047 CA SER A 64 -22.208 -8.280 -3.618 1.00 0.00 C ATOM 1048 C SER A 64 -21.028 -7.479 -4.174 1.00 0.00 C ATOM 1049 O SER A 64 -20.986 -6.269 -4.071 1.00 0.00 O ATOM 1050 CB SER A 64 -22.353 -8.031 -2.117 1.00 0.00 C ATOM 1051 OG SER A 64 -23.511 -8.707 -1.642 1.00 0.00 O ATOM 0 H SER A 64 -21.699 -10.266 -3.034 1.00 0.00 H new ATOM 0 HA SER A 64 -23.122 -7.964 -4.120 1.00 0.00 H new ATOM 0 HB2 SER A 64 -21.468 -8.386 -1.590 1.00 0.00 H new ATOM 0 HB3 SER A 64 -22.434 -6.962 -1.919 1.00 0.00 H new ATOM 0 HG SER A 64 -23.296 -9.649 -1.480 1.00 0.00 H new ATOM 1057 N ASN A 65 -20.068 -8.152 -4.754 1.00 0.00 N ATOM 1058 CA ASN A 65 -18.875 -7.453 -5.322 1.00 0.00 C ATOM 1059 C ASN A 65 -18.141 -6.709 -4.207 1.00 0.00 C ATOM 1060 O ASN A 65 -17.620 -5.628 -4.405 1.00 0.00 O ATOM 1061 CB ASN A 65 -19.312 -6.461 -6.408 1.00 0.00 C ATOM 1062 CG ASN A 65 -20.243 -7.168 -7.396 1.00 0.00 C ATOM 1063 OD1 ASN A 65 -21.251 -6.620 -7.797 1.00 0.00 O ATOM 1064 ND2 ASN A 65 -19.946 -8.372 -7.805 1.00 0.00 N ATOM 0 H ASN A 65 -20.059 -9.166 -4.860 1.00 0.00 H new ATOM 0 HA ASN A 65 -18.207 -8.191 -5.767 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -19.822 -5.610 -5.956 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -18.439 -6.069 -6.930 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -20.560 -8.854 -8.462 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -19.100 -8.831 -7.468 1.00 0.00 H new ATOM 1071 N ILE A 66 -18.094 -7.289 -3.033 1.00 0.00 N ATOM 1072 CA ILE A 66 -17.394 -6.638 -1.883 1.00 0.00 C ATOM 1073 C ILE A 66 -16.174 -7.470 -1.502 1.00 0.00 C ATOM 1074 O ILE A 66 -16.258 -8.671 -1.330 1.00 0.00 O ATOM 1075 CB ILE A 66 -18.353 -6.563 -0.696 1.00 0.00 C ATOM 1076 CG1 ILE A 66 -19.641 -5.848 -1.125 1.00 0.00 C ATOM 1077 CG2 ILE A 66 -17.694 -5.798 0.455 1.00 0.00 C ATOM 1078 CD1 ILE A 66 -19.320 -4.486 -1.758 1.00 0.00 C ATOM 0 H ILE A 66 -18.515 -8.194 -2.821 1.00 0.00 H new ATOM 0 HA ILE A 66 -17.075 -5.633 -2.161 1.00 0.00 H new ATOM 0 HB ILE A 66 -18.594 -7.572 -0.361 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -20.186 -6.467 -1.838 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -20.291 -5.709 -0.261 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -18.382 -5.747 1.299 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -16.783 -6.313 0.760 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -17.447 -4.788 0.127 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -20.247 -3.995 -2.055 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -18.796 -3.863 -1.034 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -18.689 -4.632 -2.635 1.00 0.00 H new ATOM 1090 N TYR A 67 -15.034 -6.834 -1.377 1.00 0.00 N ATOM 1091 CA TYR A 67 -13.782 -7.568 -1.014 1.00 0.00 C ATOM 1092 C TYR A 67 -13.086 -6.859 0.158 1.00 0.00 C ATOM 1093 O TYR A 67 -12.269 -5.983 -0.051 1.00 0.00 O ATOM 1094 CB TYR A 67 -12.846 -7.584 -2.217 1.00 0.00 C ATOM 1095 CG TYR A 67 -13.507 -8.346 -3.339 1.00 0.00 C ATOM 1096 CD1 TYR A 67 -14.383 -7.688 -4.210 1.00 0.00 C ATOM 1097 CD2 TYR A 67 -13.247 -9.710 -3.505 1.00 0.00 C ATOM 1098 CE1 TYR A 67 -14.997 -8.395 -5.250 1.00 0.00 C ATOM 1099 CE2 TYR A 67 -13.862 -10.419 -4.545 1.00 0.00 C ATOM 1100 CZ TYR A 67 -14.736 -9.760 -5.418 1.00 0.00 C ATOM 1101 OH TYR A 67 -15.341 -10.457 -6.445 1.00 0.00 O ATOM 0 H TYR A 67 -14.917 -5.830 -1.512 1.00 0.00 H new ATOM 0 HA TYR A 67 -14.031 -8.588 -0.722 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -12.622 -6.565 -2.534 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -11.898 -8.051 -1.951 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -14.585 -6.635 -4.080 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -12.572 -10.217 -2.831 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -15.672 -7.887 -5.923 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -13.662 -11.473 -4.673 1.00 0.00 H new ATOM 0 HH TYR A 67 -15.051 -11.393 -6.420 1.00 0.00 H new ATOM 1111 N PRO A 68 -13.397 -7.226 1.382 1.00 0.00 N ATOM 1112 CA PRO A 68 -12.776 -6.601 2.583 1.00 0.00 C ATOM 1113 C PRO A 68 -11.369 -7.132 2.856 1.00 0.00 C ATOM 1114 O PRO A 68 -11.067 -8.283 2.606 1.00 0.00 O ATOM 1115 CB PRO A 68 -13.752 -6.948 3.710 1.00 0.00 C ATOM 1116 CG PRO A 68 -14.360 -8.253 3.303 1.00 0.00 C ATOM 1117 CD PRO A 68 -14.366 -8.273 1.766 1.00 0.00 C ATOM 0 HA PRO A 68 -12.631 -5.527 2.466 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -13.237 -7.033 4.667 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -14.513 -6.176 3.825 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -13.784 -9.089 3.699 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -15.372 -8.348 3.696 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -14.071 -9.249 1.380 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -15.359 -8.060 1.370 1.00 0.00 H new ATOM 1125 N PHE A 69 -10.499 -6.300 3.369 1.00 0.00 N ATOM 1126 CA PHE A 69 -9.109 -6.754 3.655 1.00 0.00 C ATOM 1127 C PHE A 69 -8.587 -6.089 4.922 1.00 0.00 C ATOM 1128 O PHE A 69 -8.929 -4.961 5.245 1.00 0.00 O ATOM 1129 CB PHE A 69 -8.196 -6.385 2.483 1.00 0.00 C ATOM 1130 CG PHE A 69 -8.178 -4.885 2.291 1.00 0.00 C ATOM 1131 CD1 PHE A 69 -7.253 -4.094 2.988 1.00 0.00 C ATOM 1132 CD2 PHE A 69 -9.076 -4.287 1.401 1.00 0.00 C ATOM 1133 CE1 PHE A 69 -7.230 -2.706 2.792 1.00 0.00 C ATOM 1134 CE2 PHE A 69 -9.055 -2.899 1.207 1.00 0.00 C ATOM 1135 CZ PHE A 69 -8.131 -2.109 1.901 1.00 0.00 C ATOM 0 H PHE A 69 -10.693 -5.326 3.601 1.00 0.00 H new ATOM 0 HA PHE A 69 -9.116 -7.835 3.793 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -7.185 -6.748 2.671 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -8.545 -6.872 1.572 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -6.559 -4.554 3.675 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -9.787 -4.896 0.862 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -6.517 -2.097 3.328 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -9.752 -2.439 0.522 1.00 0.00 H new ATOM 0 HZ PHE A 69 -8.113 -1.040 1.750 1.00 0.00 H new ATOM 1145 N ILE A 70 -7.731 -6.786 5.625 1.00 0.00 N ATOM 1146 CA ILE A 70 -7.118 -6.242 6.869 1.00 0.00 C ATOM 1147 C ILE A 70 -5.607 -6.326 6.719 1.00 0.00 C ATOM 1148 O ILE A 70 -5.073 -7.333 6.297 1.00 0.00 O ATOM 1149 CB ILE A 70 -7.564 -7.063 8.079 1.00 0.00 C ATOM 1150 CG1 ILE A 70 -9.070 -6.888 8.274 1.00 0.00 C ATOM 1151 CG2 ILE A 70 -6.825 -6.568 9.326 1.00 0.00 C ATOM 1152 CD1 ILE A 70 -9.577 -7.878 9.324 1.00 0.00 C ATOM 0 H ILE A 70 -7.427 -7.729 5.382 1.00 0.00 H new ATOM 0 HA ILE A 70 -7.431 -5.209 7.022 1.00 0.00 H new ATOM 0 HB ILE A 70 -7.336 -8.116 7.917 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -9.289 -5.867 8.588 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -9.589 -7.049 7.329 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -7.140 -7.151 10.191 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -5.751 -6.684 9.182 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.057 -5.516 9.493 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -10.651 -7.748 9.458 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -9.373 -8.896 8.992 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -9.068 -7.696 10.271 1.00 0.00 H new ATOM 1164 N LEU A 71 -4.911 -5.266 7.033 1.00 0.00 N ATOM 1165 CA LEU A 71 -3.429 -5.267 6.881 1.00 0.00 C ATOM 1166 C LEU A 71 -2.743 -5.480 8.222 1.00 0.00 C ATOM 1167 O LEU A 71 -3.063 -4.856 9.215 1.00 0.00 O ATOM 1168 CB LEU A 71 -3.005 -3.931 6.286 1.00 0.00 C ATOM 1169 CG LEU A 71 -3.489 -3.859 4.830 1.00 0.00 C ATOM 1170 CD1 LEU A 71 -3.252 -2.451 4.282 1.00 0.00 C ATOM 1171 CD2 LEU A 71 -2.747 -4.904 3.963 1.00 0.00 C ATOM 0 H LEU A 71 -5.308 -4.397 7.390 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.135 -6.085 6.224 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.427 -3.110 6.865 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.921 -3.826 6.329 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.555 -4.082 4.797 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.595 -2.400 3.249 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.804 -1.729 4.884 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.188 -2.219 4.322 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.101 -4.840 2.934 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.676 -4.705 3.991 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.941 -5.903 4.352 1.00 0.00 H new ATOM 1183 N TYR A 72 -1.782 -6.369 8.237 1.00 0.00 N ATOM 1184 CA TYR A 72 -1.027 -6.670 9.482 1.00 0.00 C ATOM 1185 C TYR A 72 0.460 -6.523 9.212 1.00 0.00 C ATOM 1186 O TYR A 72 0.947 -6.852 8.147 1.00 0.00 O ATOM 1187 CB TYR A 72 -1.319 -8.107 9.917 1.00 0.00 C ATOM 1188 CG TYR A 72 -2.693 -8.174 10.536 1.00 0.00 C ATOM 1189 CD1 TYR A 72 -2.934 -7.517 11.747 1.00 0.00 C ATOM 1190 CD2 TYR A 72 -3.722 -8.884 9.906 1.00 0.00 C ATOM 1191 CE1 TYR A 72 -4.201 -7.568 12.331 1.00 0.00 C ATOM 1192 CE2 TYR A 72 -4.991 -8.936 10.492 1.00 0.00 C ATOM 1193 CZ TYR A 72 -5.231 -8.278 11.704 1.00 0.00 C ATOM 1194 OH TYR A 72 -6.483 -8.325 12.278 1.00 0.00 O ATOM 0 H TYR A 72 -1.487 -6.906 7.422 1.00 0.00 H new ATOM 0 HA TYR A 72 -1.329 -5.980 10.270 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -1.262 -8.777 9.059 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -0.569 -8.441 10.633 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -2.139 -6.969 12.231 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -3.537 -9.390 8.970 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -4.386 -7.060 13.266 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -5.786 -9.484 10.009 1.00 0.00 H new ATOM 0 HH TYR A 72 -7.082 -8.858 11.714 1.00 0.00 H new ATOM 1204 N TYR A 73 1.187 -6.043 10.178 1.00 0.00 N ATOM 1205 CA TYR A 73 2.656 -5.881 10.010 1.00 0.00 C ATOM 1206 C TYR A 73 3.334 -6.373 11.280 1.00 0.00 C ATOM 1207 O TYR A 73 3.219 -5.768 12.326 1.00 0.00 O ATOM 1208 CB TYR A 73 2.978 -4.406 9.783 1.00 0.00 C ATOM 1209 CG TYR A 73 4.452 -4.253 9.517 1.00 0.00 C ATOM 1210 CD1 TYR A 73 4.956 -4.471 8.228 1.00 0.00 C ATOM 1211 CD2 TYR A 73 5.318 -3.899 10.556 1.00 0.00 C ATOM 1212 CE1 TYR A 73 6.326 -4.329 7.980 1.00 0.00 C ATOM 1213 CE2 TYR A 73 6.688 -3.757 10.309 1.00 0.00 C ATOM 1214 CZ TYR A 73 7.193 -3.974 9.021 1.00 0.00 C ATOM 1215 OH TYR A 73 8.544 -3.835 8.776 1.00 0.00 O ATOM 0 H TYR A 73 0.823 -5.753 11.086 1.00 0.00 H new ATOM 0 HA TYR A 73 3.011 -6.454 9.153 1.00 0.00 H new ATOM 0 HB2 TYR A 73 2.403 -4.022 8.940 1.00 0.00 H new ATOM 0 HB3 TYR A 73 2.692 -3.821 10.657 1.00 0.00 H new ATOM 0 HD1 TYR A 73 4.288 -4.748 7.426 1.00 0.00 H new ATOM 0 HD2 TYR A 73 4.929 -3.735 11.550 1.00 0.00 H new ATOM 0 HE1 TYR A 73 6.715 -4.493 6.986 1.00 0.00 H new ATOM 0 HE2 TYR A 73 7.356 -3.480 11.111 1.00 0.00 H new ATOM 0 HH TYR A 73 9.003 -3.584 9.605 1.00 0.00 H new ATOM 1225 N GLN A 74 4.028 -7.479 11.192 1.00 0.00 N ATOM 1226 CA GLN A 74 4.711 -8.048 12.391 1.00 0.00 C ATOM 1227 C GLN A 74 3.693 -8.246 13.512 1.00 0.00 C ATOM 1228 O GLN A 74 3.199 -9.333 13.736 1.00 0.00 O ATOM 1229 CB GLN A 74 5.814 -7.101 12.874 1.00 0.00 C ATOM 1230 CG GLN A 74 6.922 -7.031 11.826 1.00 0.00 C ATOM 1231 CD GLN A 74 7.990 -6.036 12.283 1.00 0.00 C ATOM 1232 OE1 GLN A 74 7.679 -5.036 12.901 1.00 0.00 O ATOM 1233 NE2 GLN A 74 9.242 -6.268 12.003 1.00 0.00 N ATOM 0 H GLN A 74 4.151 -8.016 10.333 1.00 0.00 H new ATOM 0 HA GLN A 74 5.156 -9.005 12.120 1.00 0.00 H new ATOM 0 HB2 GLN A 74 5.403 -6.107 13.050 1.00 0.00 H new ATOM 0 HB3 GLN A 74 6.219 -7.452 13.823 1.00 0.00 H new ATOM 0 HG2 GLN A 74 7.365 -8.017 11.682 1.00 0.00 H new ATOM 0 HG3 GLN A 74 6.510 -6.724 10.865 1.00 0.00 H new ATOM 0 HE21 GLN A 74 9.502 -7.107 11.485 1.00 0.00 H new ATOM 0 HE22 GLN A 74 9.962 -5.610 12.302 1.00 0.00 H new ATOM 1242 N LYS A 75 3.373 -7.198 14.214 1.00 0.00 N ATOM 1243 CA LYS A 75 2.386 -7.309 15.318 1.00 0.00 C ATOM 1244 C LYS A 75 1.747 -5.937 15.545 1.00 0.00 C ATOM 1245 O LYS A 75 1.934 -5.316 16.571 1.00 0.00 O ATOM 1246 CB LYS A 75 3.103 -7.772 16.588 1.00 0.00 C ATOM 1247 CG LYS A 75 2.072 -8.182 17.640 1.00 0.00 C ATOM 1248 CD LYS A 75 2.783 -8.831 18.834 1.00 0.00 C ATOM 1249 CE LYS A 75 3.575 -7.779 19.618 1.00 0.00 C ATOM 1250 NZ LYS A 75 3.931 -8.329 20.956 1.00 0.00 N ATOM 0 H LYS A 75 3.756 -6.264 14.069 1.00 0.00 H new ATOM 0 HA LYS A 75 1.611 -8.033 15.064 1.00 0.00 H new ATOM 0 HB2 LYS A 75 3.759 -8.612 16.361 1.00 0.00 H new ATOM 0 HB3 LYS A 75 3.733 -6.971 16.975 1.00 0.00 H new ATOM 0 HG2 LYS A 75 1.508 -7.310 17.970 1.00 0.00 H new ATOM 0 HG3 LYS A 75 1.355 -8.880 17.208 1.00 0.00 H new ATOM 0 HD2 LYS A 75 2.051 -9.306 19.487 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.454 -9.615 18.484 1.00 0.00 H new ATOM 0 HE2 LYS A 75 4.478 -7.505 19.072 1.00 0.00 H new ATOM 0 HE3 LYS A 75 2.983 -6.871 19.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 4.469 -7.618 21.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 3.062 -8.569 21.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 4.511 -9.184 20.837 1.00 0.00 H new ATOM 1264 N GLN A 76 0.989 -5.463 14.587 1.00 0.00 N ATOM 1265 CA GLN A 76 0.328 -4.133 14.738 1.00 0.00 C ATOM 1266 C GLN A 76 -0.626 -3.895 13.564 1.00 0.00 C ATOM 1267 O GLN A 76 -0.365 -4.292 12.443 1.00 0.00 O ATOM 1268 CB GLN A 76 1.382 -3.019 14.765 1.00 0.00 C ATOM 1269 CG GLN A 76 0.683 -1.670 14.953 1.00 0.00 C ATOM 1270 CD GLN A 76 1.729 -0.575 15.171 1.00 0.00 C ATOM 1271 OE1 GLN A 76 2.875 -0.863 15.453 1.00 0.00 O ATOM 1272 NE2 GLN A 76 1.381 0.677 15.056 1.00 0.00 N ATOM 0 H GLN A 76 0.800 -5.942 13.706 1.00 0.00 H new ATOM 0 HA GLN A 76 -0.230 -4.123 15.674 1.00 0.00 H new ATOM 0 HB2 GLN A 76 2.090 -3.191 15.576 1.00 0.00 H new ATOM 0 HB3 GLN A 76 1.953 -3.020 13.837 1.00 0.00 H new ATOM 0 HG2 GLN A 76 0.077 -1.438 14.077 1.00 0.00 H new ATOM 0 HG3 GLN A 76 0.006 -1.716 15.806 1.00 0.00 H new ATOM 0 HE21 GLN A 76 0.419 0.919 14.819 1.00 0.00 H new ATOM 0 HE22 GLN A 76 2.071 1.414 15.203 1.00 0.00 H new ATOM 1281 N LEU A 77 -1.734 -3.248 13.818 1.00 0.00 N ATOM 1282 CA LEU A 77 -2.721 -2.978 12.730 1.00 0.00 C ATOM 1283 C LEU A 77 -2.254 -1.789 11.887 1.00 0.00 C ATOM 1284 O LEU A 77 -1.852 -0.765 12.405 1.00 0.00 O ATOM 1285 CB LEU A 77 -4.088 -2.663 13.353 1.00 0.00 C ATOM 1286 CG LEU A 77 -5.122 -2.356 12.254 1.00 0.00 C ATOM 1287 CD1 LEU A 77 -5.258 -3.558 11.302 1.00 0.00 C ATOM 1288 CD2 LEU A 77 -6.478 -2.052 12.907 1.00 0.00 C ATOM 0 H LEU A 77 -1.999 -2.893 14.737 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.804 -3.857 12.090 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.425 -3.509 13.952 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -4.000 -1.810 14.026 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.790 -1.492 11.679 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.992 -3.329 10.529 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.294 -3.765 10.837 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.585 -4.433 11.865 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -7.214 -1.834 12.133 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.805 -2.916 13.486 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -6.379 -1.190 13.567 1.00 0.00 H new ATOM 1300 N ILE A 78 -2.309 -1.918 10.585 1.00 0.00 N ATOM 1301 CA ILE A 78 -1.876 -0.801 9.690 1.00 0.00 C ATOM 1302 C ILE A 78 -3.109 -0.081 9.136 1.00 0.00 C ATOM 1303 O ILE A 78 -3.234 1.123 9.247 1.00 0.00 O ATOM 1304 CB ILE A 78 -1.061 -1.390 8.540 1.00 0.00 C ATOM 1305 CG1 ILE A 78 0.118 -2.194 9.112 1.00 0.00 C ATOM 1306 CG2 ILE A 78 -0.541 -0.275 7.632 1.00 0.00 C ATOM 1307 CD1 ILE A 78 0.991 -1.317 10.027 1.00 0.00 C ATOM 0 H ILE A 78 -2.637 -2.754 10.101 1.00 0.00 H new ATOM 0 HA ILE A 78 -1.270 -0.086 10.247 1.00 0.00 H new ATOM 0 HB ILE A 78 -1.699 -2.048 7.950 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -0.259 -3.049 9.673 1.00 0.00 H new ATOM 0 HG13 ILE A 78 0.723 -2.590 8.296 1.00 0.00 H new ATOM 0 HG21 ILE A 78 0.038 -0.710 6.817 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -1.383 0.283 7.222 1.00 0.00 H new ATOM 0 HG23 ILE A 78 0.093 0.398 8.209 1.00 0.00 H new ATOM 0 HD11 ILE A 78 1.818 -1.910 10.418 1.00 0.00 H new ATOM 0 HD12 ILE A 78 1.386 -0.476 9.457 1.00 0.00 H new ATOM 0 HD13 ILE A 78 0.389 -0.943 10.855 1.00 0.00 H new ATOM 1319 N ALA A 79 -4.027 -0.798 8.548 1.00 0.00 N ATOM 1320 CA ALA A 79 -5.242 -0.124 8.008 1.00 0.00 C ATOM 1321 C ALA A 79 -6.318 -1.153 7.668 1.00 0.00 C ATOM 1322 O ALA A 79 -6.038 -2.313 7.442 1.00 0.00 O ATOM 1323 CB ALA A 79 -4.880 0.662 6.747 1.00 0.00 C ATOM 0 H ALA A 79 -3.990 -1.809 8.419 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.627 0.555 8.768 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -5.771 1.153 6.356 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.129 1.414 6.990 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.482 -0.019 5.995 1.00 0.00 H new ATOM 1329 N ILE A 80 -7.555 -0.723 7.615 1.00 0.00 N ATOM 1330 CA ILE A 80 -8.676 -1.652 7.274 1.00 0.00 C ATOM 1331 C ILE A 80 -9.586 -0.988 6.244 1.00 0.00 C ATOM 1332 O ILE A 80 -9.901 0.182 6.345 1.00 0.00 O ATOM 1333 CB ILE A 80 -9.484 -1.971 8.526 1.00 0.00 C ATOM 1334 CG1 ILE A 80 -8.589 -2.706 9.524 1.00 0.00 C ATOM 1335 CG2 ILE A 80 -10.668 -2.859 8.144 1.00 0.00 C ATOM 1336 CD1 ILE A 80 -9.308 -2.843 10.868 1.00 0.00 C ATOM 0 H ILE A 80 -7.838 0.240 7.795 1.00 0.00 H new ATOM 0 HA ILE A 80 -8.265 -2.575 6.865 1.00 0.00 H new ATOM 0 HB ILE A 80 -9.852 -1.050 8.978 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -8.332 -3.692 9.137 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -7.654 -2.162 9.656 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -11.251 -3.091 9.035 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -11.298 -2.336 7.425 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -10.301 -3.784 7.699 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -8.664 -3.368 11.573 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -9.542 -1.852 11.258 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -10.231 -3.407 10.731 1.00 0.00 H new ATOM 1348 N GLY A 81 -10.016 -1.717 5.250 1.00 0.00 N ATOM 1349 CA GLY A 81 -10.906 -1.103 4.224 1.00 0.00 C ATOM 1350 C GLY A 81 -11.495 -2.192 3.332 1.00 0.00 C ATOM 1351 O GLY A 81 -11.237 -3.366 3.518 1.00 0.00 O ATOM 0 H GLY A 81 -9.792 -2.701 5.105 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -11.707 -0.546 4.710 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -10.343 -0.391 3.621 1.00 0.00 H new ATOM 1355 N PHE A 82 -12.286 -1.818 2.358 1.00 0.00 N ATOM 1356 CA PHE A 82 -12.886 -2.842 1.454 1.00 0.00 C ATOM 1357 C PHE A 82 -13.152 -2.230 0.079 1.00 0.00 C ATOM 1358 O PHE A 82 -13.159 -1.026 -0.085 1.00 0.00 O ATOM 1359 CB PHE A 82 -14.199 -3.358 2.054 1.00 0.00 C ATOM 1360 CG PHE A 82 -15.221 -2.247 2.098 1.00 0.00 C ATOM 1361 CD1 PHE A 82 -15.295 -1.407 3.216 1.00 0.00 C ATOM 1362 CD2 PHE A 82 -16.102 -2.063 1.026 1.00 0.00 C ATOM 1363 CE1 PHE A 82 -16.252 -0.386 3.263 1.00 0.00 C ATOM 1364 CE2 PHE A 82 -17.058 -1.040 1.071 1.00 0.00 C ATOM 1365 CZ PHE A 82 -17.132 -0.202 2.189 1.00 0.00 C ATOM 0 H PHE A 82 -12.540 -0.852 2.151 1.00 0.00 H new ATOM 0 HA PHE A 82 -12.190 -3.673 1.346 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -14.578 -4.188 1.459 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -14.023 -3.741 3.059 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -14.614 -1.547 4.042 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -16.045 -2.710 0.163 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -16.312 0.259 4.127 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -17.737 -0.898 0.243 1.00 0.00 H new ATOM 0 HZ PHE A 82 -17.868 0.587 2.224 1.00 0.00 H new ATOM 1375 N ILE A 83 -13.359 -3.060 -0.916 1.00 0.00 N ATOM 1376 CA ILE A 83 -13.611 -2.550 -2.299 1.00 0.00 C ATOM 1377 C ILE A 83 -15.092 -2.709 -2.649 1.00 0.00 C ATOM 1378 O ILE A 83 -15.657 -3.783 -2.547 1.00 0.00 O ATOM 1379 CB ILE A 83 -12.765 -3.351 -3.283 1.00 0.00 C ATOM 1380 CG1 ILE A 83 -11.289 -3.208 -2.907 1.00 0.00 C ATOM 1381 CG2 ILE A 83 -12.987 -2.816 -4.698 1.00 0.00 C ATOM 1382 CD1 ILE A 83 -10.447 -4.182 -3.731 1.00 0.00 C ATOM 0 H ILE A 83 -13.364 -4.076 -0.827 1.00 0.00 H new ATOM 0 HA ILE A 83 -13.345 -1.494 -2.354 1.00 0.00 H new ATOM 0 HB ILE A 83 -13.052 -4.402 -3.246 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -10.957 -2.185 -3.085 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -11.154 -3.406 -1.844 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -12.383 -3.388 -5.402 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -14.040 -2.912 -4.962 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -12.697 -1.766 -4.740 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -9.397 -4.075 -3.459 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -10.772 -5.203 -3.531 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -10.571 -3.963 -4.792 1.00 0.00 H new ATOM 1394 N ASP A 84 -15.723 -1.634 -3.050 1.00 0.00 N ATOM 1395 CA ASP A 84 -17.175 -1.683 -3.394 1.00 0.00 C ATOM 1396 C ASP A 84 -17.378 -2.047 -4.870 1.00 0.00 C ATOM 1397 O ASP A 84 -16.441 -2.206 -5.628 1.00 0.00 O ATOM 1398 CB ASP A 84 -17.784 -0.304 -3.144 1.00 0.00 C ATOM 1399 CG ASP A 84 -19.300 -0.371 -3.330 1.00 0.00 C ATOM 1400 OD1 ASP A 84 -19.935 -1.107 -2.591 1.00 0.00 O ATOM 1401 OD2 ASP A 84 -19.800 0.311 -4.208 1.00 0.00 O ATOM 0 H ASP A 84 -15.289 -0.717 -3.154 1.00 0.00 H new ATOM 0 HA ASP A 84 -17.655 -2.442 -2.776 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -17.546 0.032 -2.135 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -17.355 0.424 -3.832 1.00 0.00 H new ATOM 1406 N GLU A 85 -18.617 -2.167 -5.280 1.00 0.00 N ATOM 1407 CA GLU A 85 -18.921 -2.508 -6.699 1.00 0.00 C ATOM 1408 C GLU A 85 -18.389 -1.391 -7.603 1.00 0.00 C ATOM 1409 O GLU A 85 -17.924 -1.633 -8.701 1.00 0.00 O ATOM 1410 CB GLU A 85 -20.440 -2.617 -6.877 1.00 0.00 C ATOM 1411 CG GLU A 85 -20.760 -3.052 -8.312 1.00 0.00 C ATOM 1412 CD GLU A 85 -22.276 -3.184 -8.491 1.00 0.00 C ATOM 1413 OE1 GLU A 85 -23.001 -2.725 -7.624 1.00 0.00 O ATOM 1414 OE2 GLU A 85 -22.684 -3.743 -9.498 1.00 0.00 O ATOM 0 H GLU A 85 -19.436 -2.042 -4.685 1.00 0.00 H new ATOM 0 HA GLU A 85 -18.451 -3.456 -6.962 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -20.849 -3.337 -6.168 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -20.911 -1.658 -6.664 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -20.364 -2.323 -9.019 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -20.275 -4.004 -8.530 1.00 0.00 H new ATOM 1421 N ASN A 86 -18.464 -0.170 -7.149 1.00 0.00 N ATOM 1422 CA ASN A 86 -17.974 0.976 -7.970 1.00 0.00 C ATOM 1423 C ASN A 86 -16.534 1.314 -7.563 1.00 0.00 C ATOM 1424 O ASN A 86 -16.143 2.463 -7.521 1.00 0.00 O ATOM 1425 CB ASN A 86 -18.889 2.182 -7.737 1.00 0.00 C ATOM 1426 CG ASN A 86 -20.261 1.908 -8.364 1.00 0.00 C ATOM 1427 OD1 ASN A 86 -20.366 1.170 -9.325 1.00 0.00 O ATOM 1428 ND2 ASN A 86 -21.324 2.467 -7.854 1.00 0.00 N ATOM 0 H ASN A 86 -18.846 0.086 -6.238 1.00 0.00 H new ATOM 0 HA ASN A 86 -17.988 0.714 -9.028 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -18.996 2.370 -6.669 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -18.448 3.077 -8.176 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -22.241 2.285 -8.261 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -21.238 3.086 -7.048 1.00 0.00 H new ATOM 1435 N HIS A 87 -15.746 0.311 -7.273 1.00 0.00 N ATOM 1436 CA HIS A 87 -14.321 0.540 -6.877 1.00 0.00 C ATOM 1437 C HIS A 87 -14.231 1.521 -5.700 1.00 0.00 C ATOM 1438 O HIS A 87 -14.815 1.315 -4.655 1.00 0.00 O ATOM 1439 CB HIS A 87 -13.545 1.118 -8.066 1.00 0.00 C ATOM 1440 CG HIS A 87 -13.507 0.121 -9.184 1.00 0.00 C ATOM 1441 ND1 HIS A 87 -12.682 -0.990 -9.152 1.00 0.00 N ATOM 1442 CD2 HIS A 87 -14.178 0.059 -10.379 1.00 0.00 C ATOM 1443 CE1 HIS A 87 -12.874 -1.668 -10.297 1.00 0.00 C ATOM 1444 NE2 HIS A 87 -13.776 -1.073 -11.082 1.00 0.00 N ATOM 0 H HIS A 87 -16.031 -0.668 -7.294 1.00 0.00 H new ATOM 0 HA HIS A 87 -13.892 -0.415 -6.574 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -14.017 2.040 -8.405 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -12.530 1.373 -7.760 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -14.907 0.779 -10.722 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -12.361 -2.584 -10.551 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -14.100 -1.381 -11.999 1.00 0.00 H new ATOM 1452 N ASP A 88 -13.473 2.576 -5.865 1.00 0.00 N ATOM 1453 CA ASP A 88 -13.299 3.575 -4.771 1.00 0.00 C ATOM 1454 C ASP A 88 -13.066 2.850 -3.444 1.00 0.00 C ATOM 1455 O ASP A 88 -13.991 2.480 -2.748 1.00 0.00 O ATOM 1456 CB ASP A 88 -14.538 4.468 -4.689 1.00 0.00 C ATOM 1457 CG ASP A 88 -14.541 5.426 -5.885 1.00 0.00 C ATOM 1458 OD1 ASP A 88 -13.540 5.474 -6.583 1.00 0.00 O ATOM 1459 OD2 ASP A 88 -15.542 6.094 -6.084 1.00 0.00 O ATOM 0 H ASP A 88 -12.962 2.788 -6.722 1.00 0.00 H new ATOM 0 HA ASP A 88 -12.432 4.202 -4.981 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -15.442 3.859 -4.692 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -14.536 5.031 -3.756 1.00 0.00 H new ATOM 1464 N MET A 89 -11.826 2.638 -3.102 1.00 0.00 N ATOM 1465 CA MET A 89 -11.511 1.929 -1.835 1.00 0.00 C ATOM 1466 C MET A 89 -12.073 2.714 -0.650 1.00 0.00 C ATOM 1467 O MET A 89 -11.896 3.912 -0.544 1.00 0.00 O ATOM 1468 CB MET A 89 -9.997 1.799 -1.696 1.00 0.00 C ATOM 1469 CG MET A 89 -9.479 0.809 -2.741 1.00 0.00 C ATOM 1470 SD MET A 89 -7.694 0.587 -2.538 1.00 0.00 S ATOM 1471 CE MET A 89 -7.755 -0.696 -1.259 1.00 0.00 C ATOM 0 H MET A 89 -11.015 2.927 -3.649 1.00 0.00 H new ATOM 0 HA MET A 89 -11.963 0.937 -1.850 1.00 0.00 H new ATOM 0 HB2 MET A 89 -9.523 2.771 -1.832 1.00 0.00 H new ATOM 0 HB3 MET A 89 -9.740 1.456 -0.694 1.00 0.00 H new ATOM 0 HG2 MET A 89 -9.989 -0.148 -2.633 1.00 0.00 H new ATOM 0 HG3 MET A 89 -9.698 1.176 -3.744 1.00 0.00 H new ATOM 0 HE1 MET A 89 -7.075 -0.434 -0.449 1.00 0.00 H new ATOM 0 HE2 MET A 89 -8.770 -0.774 -0.870 1.00 0.00 H new ATOM 0 HE3 MET A 89 -7.457 -1.652 -1.689 1.00 0.00 H new ATOM 1481 N ASP A 90 -12.751 2.041 0.244 1.00 0.00 N ATOM 1482 CA ASP A 90 -13.335 2.728 1.433 1.00 0.00 C ATOM 1483 C ASP A 90 -12.456 2.470 2.651 1.00 0.00 C ATOM 1484 O ASP A 90 -12.088 1.348 2.942 1.00 0.00 O ATOM 1485 CB ASP A 90 -14.736 2.178 1.692 1.00 0.00 C ATOM 1486 CG ASP A 90 -15.679 2.660 0.590 1.00 0.00 C ATOM 1487 OD1 ASP A 90 -15.292 3.559 -0.141 1.00 0.00 O ATOM 1488 OD2 ASP A 90 -16.769 2.124 0.494 1.00 0.00 O ATOM 0 H ASP A 90 -12.926 1.037 0.200 1.00 0.00 H new ATOM 0 HA ASP A 90 -13.390 3.801 1.247 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -14.713 1.089 1.716 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -15.096 2.511 2.666 1.00 0.00 H new ATOM 1493 N PHE A 91 -12.115 3.508 3.369 1.00 0.00 N ATOM 1494 CA PHE A 91 -11.257 3.346 4.574 1.00 0.00 C ATOM 1495 C PHE A 91 -12.130 3.360 5.821 1.00 0.00 C ATOM 1496 O PHE A 91 -12.887 4.280 6.057 1.00 0.00 O ATOM 1497 CB PHE A 91 -10.253 4.498 4.634 1.00 0.00 C ATOM 1498 CG PHE A 91 -9.168 4.249 3.616 1.00 0.00 C ATOM 1499 CD1 PHE A 91 -8.094 3.413 3.938 1.00 0.00 C ATOM 1500 CD2 PHE A 91 -9.242 4.840 2.350 1.00 0.00 C ATOM 1501 CE1 PHE A 91 -7.092 3.166 2.994 1.00 0.00 C ATOM 1502 CE2 PHE A 91 -8.239 4.594 1.405 1.00 0.00 C ATOM 1503 CZ PHE A 91 -7.163 3.758 1.728 1.00 0.00 C ATOM 0 H PHE A 91 -12.398 4.467 3.168 1.00 0.00 H new ATOM 0 HA PHE A 91 -10.720 2.399 4.521 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -10.752 5.445 4.430 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -9.824 4.573 5.633 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -8.038 2.958 4.916 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -10.072 5.485 2.102 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -6.264 2.519 3.242 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -8.295 5.049 0.427 1.00 0.00 H new ATOM 0 HZ PHE A 91 -6.388 3.570 1.000 1.00 0.00 H new ATOM 1513 N LEU A 92 -12.023 2.334 6.621 1.00 0.00 N ATOM 1514 CA LEU A 92 -12.831 2.250 7.870 1.00 0.00 C ATOM 1515 C LEU A 92 -11.919 2.533 9.056 1.00 0.00 C ATOM 1516 O LEU A 92 -12.339 3.061 10.067 1.00 0.00 O ATOM 1517 CB LEU A 92 -13.404 0.834 8.001 1.00 0.00 C ATOM 1518 CG LEU A 92 -14.150 0.689 9.334 1.00 0.00 C ATOM 1519 CD1 LEU A 92 -15.244 1.762 9.448 1.00 0.00 C ATOM 1520 CD2 LEU A 92 -14.782 -0.708 9.411 1.00 0.00 C ATOM 0 H LEU A 92 -11.402 1.541 6.460 1.00 0.00 H new ATOM 0 HA LEU A 92 -13.646 2.973 7.842 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -14.081 0.629 7.172 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -12.599 0.101 7.944 1.00 0.00 H new ATOM 0 HG LEU A 92 -13.446 0.818 10.156 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -15.767 1.649 10.398 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -14.790 2.752 9.399 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -15.953 1.647 8.628 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -15.313 -0.815 10.357 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -15.482 -0.837 8.585 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -14.000 -1.465 9.346 1.00 0.00 H new ATOM 1532 N TYR A 93 -10.671 2.193 8.941 1.00 0.00 N ATOM 1533 CA TYR A 93 -9.733 2.448 10.061 1.00 0.00 C ATOM 1534 C TYR A 93 -8.324 2.568 9.502 1.00 0.00 C ATOM 1535 O TYR A 93 -7.784 1.628 8.952 1.00 0.00 O ATOM 1536 CB TYR A 93 -9.796 1.292 11.064 1.00 0.00 C ATOM 1537 CG TYR A 93 -9.154 1.720 12.364 1.00 0.00 C ATOM 1538 CD1 TYR A 93 -9.867 2.532 13.253 1.00 0.00 C ATOM 1539 CD2 TYR A 93 -7.852 1.313 12.677 1.00 0.00 C ATOM 1540 CE1 TYR A 93 -9.280 2.935 14.457 1.00 0.00 C ATOM 1541 CE2 TYR A 93 -7.264 1.717 13.883 1.00 0.00 C ATOM 1542 CZ TYR A 93 -7.978 2.530 14.771 1.00 0.00 C ATOM 1543 OH TYR A 93 -7.399 2.928 15.958 1.00 0.00 O ATOM 0 H TYR A 93 -10.260 1.749 8.120 1.00 0.00 H new ATOM 0 HA TYR A 93 -10.009 3.371 10.571 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -10.832 1.001 11.236 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -9.282 0.419 10.662 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -10.871 2.848 13.009 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -7.301 0.688 11.990 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -9.832 3.559 15.144 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -6.260 1.401 14.127 1.00 0.00 H new ATOM 0 HH TYR A 93 -6.929 3.777 15.824 1.00 0.00 H new ATOM 1553 N LEU A 94 -7.725 3.720 9.642 1.00 0.00 N ATOM 1554 CA LEU A 94 -6.340 3.928 9.129 1.00 0.00 C ATOM 1555 C LEU A 94 -5.394 4.085 10.309 1.00 0.00 C ATOM 1556 O LEU A 94 -5.596 4.918 11.172 1.00 0.00 O ATOM 1557 CB LEU A 94 -6.306 5.195 8.269 1.00 0.00 C ATOM 1558 CG LEU A 94 -4.905 5.397 7.670 1.00 0.00 C ATOM 1559 CD1 LEU A 94 -4.526 4.211 6.763 1.00 0.00 C ATOM 1560 CD2 LEU A 94 -4.894 6.697 6.857 1.00 0.00 C ATOM 0 H LEU A 94 -8.141 4.534 10.095 1.00 0.00 H new ATOM 0 HA LEU A 94 -6.033 3.074 8.526 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -7.043 5.120 7.470 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -6.579 6.060 8.873 1.00 0.00 H new ATOM 0 HG LEU A 94 -4.176 5.456 8.478 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.531 4.373 6.349 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -4.530 3.291 7.347 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -5.248 4.129 5.951 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -3.904 6.849 6.428 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.631 6.632 6.056 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -5.140 7.536 7.508 1.00 0.00 H new ATOM 1572 N HIS A 95 -4.360 3.288 10.353 1.00 0.00 N ATOM 1573 CA HIS A 95 -3.379 3.372 11.470 1.00 0.00 C ATOM 1574 C HIS A 95 -1.969 3.459 10.900 1.00 0.00 C ATOM 1575 O HIS A 95 -1.483 2.545 10.262 1.00 0.00 O ATOM 1576 CB HIS A 95 -3.502 2.130 12.347 1.00 0.00 C ATOM 1577 CG HIS A 95 -2.562 2.255 13.513 1.00 0.00 C ATOM 1578 ND1 HIS A 95 -2.735 2.052 14.859 1.00 0.00 N flip ATOM 1579 CD2 HIS A 95 -1.241 2.643 13.354 1.00 0.00 C flip ATOM 1580 CE1 HIS A 95 -1.540 2.308 15.528 1.00 0.00 C flip ATOM 1581 NE2 HIS A 95 -0.673 2.662 14.574 1.00 0.00 N flip ATOM 0 H HIS A 95 -4.152 2.575 9.654 1.00 0.00 H new ATOM 0 HA HIS A 95 -3.582 4.259 12.069 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -4.527 2.020 12.701 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -3.267 1.237 11.769 1.00 0.00 H new ATOM 0 HD1 HIS A 95 -3.606 1.758 15.302 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -0.755 2.886 12.420 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -1.354 2.236 16.589 1.00 0.00 H new ATOM 1589 N ASN A 96 -1.304 4.555 11.132 1.00 0.00 N ATOM 1590 CA ASN A 96 0.080 4.718 10.619 1.00 0.00 C ATOM 1591 C ASN A 96 1.056 4.192 11.667 1.00 0.00 C ATOM 1592 O ASN A 96 1.004 4.573 12.818 1.00 0.00 O ATOM 1593 CB ASN A 96 0.345 6.203 10.350 1.00 0.00 C ATOM 1594 CG ASN A 96 1.558 6.351 9.430 1.00 0.00 C ATOM 1595 OD1 ASN A 96 1.760 5.552 8.537 1.00 0.00 O ATOM 1596 ND2 ASN A 96 2.379 7.350 9.608 1.00 0.00 N ATOM 0 H ASN A 96 -1.664 5.350 11.659 1.00 0.00 H new ATOM 0 HA ASN A 96 0.209 4.161 9.691 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -0.531 6.661 9.890 1.00 0.00 H new ATOM 0 HB3 ASN A 96 0.523 6.727 11.289 1.00 0.00 H new ATOM 0 HD21 ASN A 96 3.189 7.459 8.998 1.00 0.00 H new ATOM 0 HD22 ASN A 96 2.210 8.021 10.357 1.00 0.00 H new ATOM 1603 N THR A 97 1.932 3.303 11.272 1.00 0.00 N ATOM 1604 CA THR A 97 2.920 2.717 12.230 1.00 0.00 C ATOM 1605 C THR A 97 3.422 3.793 13.202 1.00 0.00 C ATOM 1606 O THR A 97 3.836 3.502 14.307 1.00 0.00 O ATOM 1607 CB THR A 97 4.099 2.150 11.435 1.00 0.00 C ATOM 1608 OG1 THR A 97 4.669 3.179 10.641 1.00 0.00 O ATOM 1609 CG2 THR A 97 3.613 1.015 10.529 1.00 0.00 C ATOM 0 H THR A 97 2.006 2.954 10.316 1.00 0.00 H new ATOM 0 HA THR A 97 2.442 1.925 12.807 1.00 0.00 H new ATOM 0 HB THR A 97 4.848 1.763 12.125 1.00 0.00 H new ATOM 0 HG1 THR A 97 5.425 2.819 10.132 1.00 0.00 H new ATOM 0 HG21 THR A 97 4.455 0.614 9.965 1.00 0.00 H new ATOM 0 HG22 THR A 97 3.175 0.225 11.139 1.00 0.00 H new ATOM 0 HG23 THR A 97 2.862 1.397 9.838 1.00 0.00 H new ATOM 1617 N VAL A 98 3.383 5.035 12.797 1.00 0.00 N ATOM 1618 CA VAL A 98 3.847 6.136 13.693 1.00 0.00 C ATOM 1619 C VAL A 98 2.667 6.666 14.505 1.00 0.00 C ATOM 1620 O VAL A 98 2.721 6.759 15.715 1.00 0.00 O ATOM 1621 CB VAL A 98 4.411 7.271 12.843 1.00 0.00 C ATOM 1622 CG1 VAL A 98 4.825 8.433 13.748 1.00 0.00 C ATOM 1623 CG2 VAL A 98 5.625 6.771 12.060 1.00 0.00 C ATOM 0 H VAL A 98 3.049 5.336 11.881 1.00 0.00 H new ATOM 0 HA VAL A 98 4.615 5.755 14.366 1.00 0.00 H new ATOM 0 HB VAL A 98 3.648 7.613 12.144 1.00 0.00 H new ATOM 0 HG11 VAL A 98 5.228 9.243 13.139 1.00 0.00 H new ATOM 0 HG12 VAL A 98 3.956 8.792 14.300 1.00 0.00 H new ATOM 0 HG13 VAL A 98 5.587 8.094 14.450 1.00 0.00 H new ATOM 0 HG21 VAL A 98 6.026 7.583 11.454 1.00 0.00 H new ATOM 0 HG22 VAL A 98 6.390 6.426 12.756 1.00 0.00 H new ATOM 0 HG23 VAL A 98 5.326 5.948 11.412 1.00 0.00 H new ATOM 1633 N MET A 99 1.602 7.018 13.846 1.00 0.00 N ATOM 1634 CA MET A 99 0.420 7.540 14.579 1.00 0.00 C ATOM 1635 C MET A 99 -0.771 7.647 13.605 1.00 0.00 C ATOM 1636 O MET A 99 -0.672 8.318 12.597 1.00 0.00 O ATOM 1637 CB MET A 99 0.732 8.927 15.155 1.00 0.00 C ATOM 1638 CG MET A 99 1.012 9.922 14.029 1.00 0.00 C ATOM 1639 SD MET A 99 1.972 11.302 14.697 1.00 0.00 S ATOM 1640 CE MET A 99 1.686 12.462 13.340 1.00 0.00 C ATOM 0 H MET A 99 1.499 6.967 12.833 1.00 0.00 H new ATOM 0 HA MET A 99 0.173 6.862 15.396 1.00 0.00 H new ATOM 0 HB2 MET A 99 -0.108 9.275 15.756 1.00 0.00 H new ATOM 0 HB3 MET A 99 1.595 8.866 15.818 1.00 0.00 H new ATOM 0 HG2 MET A 99 1.561 9.435 13.223 1.00 0.00 H new ATOM 0 HG3 MET A 99 0.076 10.284 13.604 1.00 0.00 H new ATOM 0 HE1 MET A 99 2.199 13.401 13.549 1.00 0.00 H new ATOM 0 HE2 MET A 99 2.069 12.038 12.412 1.00 0.00 H new ATOM 0 HE3 MET A 99 0.617 12.648 13.240 1.00 0.00 H new ATOM 1650 N PRO A 100 -1.894 7.015 13.887 1.00 0.00 N ATOM 1651 CA PRO A 100 -3.090 7.089 12.989 1.00 0.00 C ATOM 1652 C PRO A 100 -3.442 8.530 12.584 1.00 0.00 C ATOM 1653 O PRO A 100 -3.349 9.452 13.370 1.00 0.00 O ATOM 1654 CB PRO A 100 -4.219 6.473 13.834 1.00 0.00 C ATOM 1655 CG PRO A 100 -3.536 5.562 14.805 1.00 0.00 C ATOM 1656 CD PRO A 100 -2.147 6.153 15.059 1.00 0.00 C ATOM 0 HA PRO A 100 -2.916 6.570 12.046 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -4.788 7.245 14.353 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -4.923 5.924 13.209 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -4.102 5.491 15.734 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -3.459 4.553 14.401 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -2.122 6.726 15.986 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -1.393 5.371 15.147 1.00 0.00 H new ATOM 1664 N LEU A 101 -3.833 8.722 11.348 1.00 0.00 N ATOM 1665 CA LEU A 101 -4.183 10.091 10.868 1.00 0.00 C ATOM 1666 C LEU A 101 -5.681 10.319 11.057 1.00 0.00 C ATOM 1667 O LEU A 101 -6.176 11.419 10.900 1.00 0.00 O ATOM 1668 CB LEU A 101 -3.831 10.203 9.382 1.00 0.00 C ATOM 1669 CG LEU A 101 -2.334 9.923 9.180 1.00 0.00 C ATOM 1670 CD1 LEU A 101 -2.005 9.992 7.685 1.00 0.00 C ATOM 1671 CD2 LEU A 101 -1.492 10.961 9.943 1.00 0.00 C ATOM 0 H LEU A 101 -3.925 7.985 10.649 1.00 0.00 H new ATOM 0 HA LEU A 101 -3.627 10.839 11.433 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -4.424 9.495 8.804 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -4.077 11.199 9.015 1.00 0.00 H new ATOM 0 HG LEU A 101 -2.100 8.930 9.564 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -0.943 9.794 7.537 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -2.592 9.246 7.149 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -2.245 10.985 7.305 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -0.433 10.752 9.792 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -1.721 11.960 9.571 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -1.725 10.907 11.007 1.00 0.00 H new ATOM 1683 N LEU A 102 -6.400 9.294 11.414 1.00 0.00 N ATOM 1684 CA LEU A 102 -7.863 9.447 11.634 1.00 0.00 C ATOM 1685 C LEU A 102 -8.419 8.141 12.201 1.00 0.00 C ATOM 1686 O LEU A 102 -8.245 7.079 11.638 1.00 0.00 O ATOM 1687 CB LEU A 102 -8.568 9.799 10.312 1.00 0.00 C ATOM 1688 CG LEU A 102 -8.330 8.691 9.250 1.00 0.00 C ATOM 1689 CD1 LEU A 102 -9.563 7.778 9.144 1.00 0.00 C ATOM 1690 CD2 LEU A 102 -8.064 9.334 7.880 1.00 0.00 C ATOM 0 H LEU A 102 -6.036 8.353 11.564 1.00 0.00 H new ATOM 0 HA LEU A 102 -8.043 10.257 12.341 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -9.637 9.920 10.485 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -8.196 10.753 9.939 1.00 0.00 H new ATOM 0 HG LEU A 102 -7.468 8.098 9.555 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -9.381 7.006 8.396 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -9.753 7.309 10.110 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -10.430 8.370 8.851 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -7.898 8.553 7.138 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -8.925 9.936 7.587 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -7.181 9.970 7.942 1.00 0.00 H new ATOM 1702 N ASP A 103 -9.089 8.220 13.318 1.00 0.00 N ATOM 1703 CA ASP A 103 -9.677 7.002 13.950 1.00 0.00 C ATOM 1704 C ASP A 103 -10.998 7.398 14.606 1.00 0.00 C ATOM 1705 O ASP A 103 -11.020 7.923 15.701 1.00 0.00 O ATOM 1706 CB ASP A 103 -8.715 6.462 15.014 1.00 0.00 C ATOM 1707 CG ASP A 103 -7.556 5.722 14.340 1.00 0.00 C ATOM 1708 OD1 ASP A 103 -7.694 5.375 13.179 1.00 0.00 O ATOM 1709 OD2 ASP A 103 -6.551 5.513 14.998 1.00 0.00 O ATOM 0 H ASP A 103 -9.257 9.088 13.827 1.00 0.00 H new ATOM 0 HA ASP A 103 -9.844 6.228 13.201 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -8.331 7.283 15.620 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -9.245 5.789 15.688 1.00 0.00 H new ATOM 1714 N GLN A 104 -12.102 7.167 13.935 1.00 0.00 N ATOM 1715 CA GLN A 104 -13.432 7.544 14.503 1.00 0.00 C ATOM 1716 C GLN A 104 -14.175 6.298 14.984 1.00 0.00 C ATOM 1717 O GLN A 104 -14.515 5.419 14.216 1.00 0.00 O ATOM 1718 CB GLN A 104 -14.250 8.253 13.421 1.00 0.00 C ATOM 1719 CG GLN A 104 -13.655 9.641 13.177 1.00 0.00 C ATOM 1720 CD GLN A 104 -14.399 10.332 12.034 1.00 0.00 C ATOM 1721 OE1 GLN A 104 -14.827 9.690 11.096 1.00 0.00 O ATOM 1722 NE2 GLN A 104 -14.570 11.626 12.074 1.00 0.00 N ATOM 0 H GLN A 104 -12.137 6.731 13.014 1.00 0.00 H new ATOM 0 HA GLN A 104 -13.288 8.210 15.354 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -14.239 7.671 12.499 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -15.291 8.339 13.732 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -13.726 10.241 14.084 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -12.596 9.555 12.934 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -14.210 12.164 12.862 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -15.064 12.099 11.317 1.00 0.00 H new ATOM 1731 N ARG A 105 -14.428 6.227 16.260 1.00 0.00 N ATOM 1732 CA ARG A 105 -15.151 5.058 16.832 1.00 0.00 C ATOM 1733 C ARG A 105 -16.592 5.038 16.314 1.00 0.00 C ATOM 1734 O ARG A 105 -17.165 3.990 16.087 1.00 0.00 O ATOM 1735 CB ARG A 105 -15.159 5.184 18.357 1.00 0.00 C ATOM 1736 CG ARG A 105 -13.742 4.984 18.928 1.00 0.00 C ATOM 1737 CD ARG A 105 -13.450 3.490 19.121 1.00 0.00 C ATOM 1738 NE ARG A 105 -14.457 2.914 20.058 1.00 0.00 N ATOM 1739 CZ ARG A 105 -14.516 1.623 20.253 1.00 0.00 C ATOM 1740 NH1 ARG A 105 -13.707 0.826 19.615 1.00 0.00 N ATOM 1741 NH2 ARG A 105 -15.394 1.133 21.085 1.00 0.00 N ATOM 0 H ARG A 105 -14.161 6.939 16.940 1.00 0.00 H new ATOM 0 HA ARG A 105 -14.653 4.135 16.536 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -15.537 6.165 18.644 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -15.836 4.445 18.784 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -13.006 5.421 18.253 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -13.650 5.505 19.881 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -13.489 2.972 18.163 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -12.444 3.351 19.518 1.00 0.00 H new ATOM 0 HE ARG A 105 -15.103 3.531 20.550 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -13.025 1.209 18.961 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -13.756 -0.181 19.770 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -16.031 1.757 21.580 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -15.443 0.126 21.240 1.00 0.00 H new ATOM 1755 N TYR A 106 -17.189 6.184 16.147 1.00 0.00 N ATOM 1756 CA TYR A 106 -18.600 6.221 15.668 1.00 0.00 C ATOM 1757 C TYR A 106 -18.698 5.518 14.307 1.00 0.00 C ATOM 1758 O TYR A 106 -19.593 4.730 14.073 1.00 0.00 O ATOM 1759 CB TYR A 106 -19.050 7.679 15.525 1.00 0.00 C ATOM 1760 CG TYR A 106 -18.862 8.413 16.839 1.00 0.00 C ATOM 1761 CD1 TYR A 106 -19.846 8.347 17.837 1.00 0.00 C ATOM 1762 CD2 TYR A 106 -17.702 9.170 17.056 1.00 0.00 C ATOM 1763 CE1 TYR A 106 -19.667 9.033 19.046 1.00 0.00 C ATOM 1764 CE2 TYR A 106 -17.524 9.856 18.266 1.00 0.00 C ATOM 1765 CZ TYR A 106 -18.506 9.787 19.261 1.00 0.00 C ATOM 1766 OH TYR A 106 -18.331 10.464 20.454 1.00 0.00 O ATOM 0 H TYR A 106 -16.764 7.095 16.321 1.00 0.00 H new ATOM 0 HA TYR A 106 -19.242 5.710 16.386 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -18.475 8.170 14.740 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -20.097 7.717 15.225 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -20.742 7.767 17.673 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -16.943 9.225 16.289 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -20.425 8.980 19.813 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -16.629 10.438 18.430 1.00 0.00 H new ATOM 0 HH TYR A 106 -17.472 10.936 20.439 1.00 0.00 H new ATOM 1776 N LEU A 107 -17.788 5.787 13.411 1.00 0.00 N ATOM 1777 CA LEU A 107 -17.839 5.120 12.076 1.00 0.00 C ATOM 1778 C LEU A 107 -17.593 3.620 12.252 1.00 0.00 C ATOM 1779 O LEU A 107 -18.150 2.802 11.546 1.00 0.00 O ATOM 1780 CB LEU A 107 -16.770 5.713 11.146 1.00 0.00 C ATOM 1781 CG LEU A 107 -16.860 5.079 9.745 1.00 0.00 C ATOM 1782 CD1 LEU A 107 -18.229 5.372 9.108 1.00 0.00 C ATOM 1783 CD2 LEU A 107 -15.747 5.657 8.856 1.00 0.00 C ATOM 0 H LEU A 107 -17.013 6.437 13.543 1.00 0.00 H new ATOM 0 HA LEU A 107 -18.821 5.283 11.631 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -16.902 6.792 11.072 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -15.779 5.542 11.566 1.00 0.00 H new ATOM 0 HG LEU A 107 -16.741 3.999 9.837 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -18.275 4.917 8.119 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -19.018 4.958 9.735 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -18.365 6.450 9.018 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -15.806 5.211 7.863 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -15.869 6.737 8.777 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -14.776 5.433 9.297 1.00 0.00 H new ATOM 1795 N LEU A 108 -16.739 3.249 13.165 1.00 0.00 N ATOM 1796 CA LEU A 108 -16.447 1.798 13.347 1.00 0.00 C ATOM 1797 C LEU A 108 -17.736 1.065 13.731 1.00 0.00 C ATOM 1798 O LEU A 108 -18.069 0.036 13.177 1.00 0.00 O ATOM 1799 CB LEU A 108 -15.403 1.634 14.469 1.00 0.00 C ATOM 1800 CG LEU A 108 -14.573 0.357 14.246 1.00 0.00 C ATOM 1801 CD1 LEU A 108 -15.509 -0.852 14.119 1.00 0.00 C ATOM 1802 CD2 LEU A 108 -13.712 0.496 12.964 1.00 0.00 C ATOM 0 H LEU A 108 -16.235 3.880 13.788 1.00 0.00 H new ATOM 0 HA LEU A 108 -16.057 1.378 12.420 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -14.746 2.503 14.493 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -15.903 1.586 15.436 1.00 0.00 H new ATOM 0 HG LEU A 108 -13.910 0.211 15.099 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -14.918 -1.754 13.961 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -16.094 -0.957 15.033 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -16.180 -0.705 13.273 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -13.129 -0.413 12.817 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -14.363 0.653 12.104 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -13.038 1.346 13.069 1.00 0.00 H new