USER MOD reduce.3.24.130724 H: found=0, std=0, add=912, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 907 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 86 ASN : amide:sc= -3 K(o=-7.6,f=-6.4!) USER MOD Set 1.2: A 108 GLN : amide:sc= -2.55 K(o=-7.6,f=-4.8) USER MOD Set 1.3: A 119 ASN : amide:sc= -2.07 K(o=-7.6,f=-6.4) USER MOD Set 2.1: A 18 ASN : amide:sc= -2.9! K(o=-7!,f=-1.5) USER MOD Set 2.2: A 43 ASN : amide:sc= -4.13! C(o=-7!,f=-3!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 42:sc= 0.343 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 61:sc= 1.15 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -10.3! C(o=-10!,f=-5.4!) USER MOD Single : A 36 SER OG : rot -22:sc= 0.121! USER MOD Single : A 38 THR OG1 : rot 180:sc=-0.000881 USER MOD Single : A 44 ASN : amide:sc= -1.39 K(o=-1.4,f=-0.12) USER MOD Single : A 45 SER OG : rot 65:sc= 0.515 USER MOD Single : A 48 THR OG1 : rot -53:sc= 0.637 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 MET CE :methyl -99:sc= -0.0145 (180deg=-1.19) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HE2:sc= -0.185 K(o=-0.18,f=-1.9) USER MOD Single : A 66 HIS : no HD1:sc=-0.00109 X(o=-0.0011,f=-0.079) USER MOD Single : A 67 GLN : amide:sc= -0.861 X(o=-0.86,f=-0.8) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.0452 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -8.07! C(o=-8.1!,f=-6.4!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 44:sc= 0.0188 USER MOD Single : A 78 GLN : amide:sc=-0.00951 K(o=-0.0095,f=-1.7!) USER MOD Single : A 80 ASN : amide:sc= -0.107 X(o=-0.11,f=-0.45) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot -80:sc= -0.328 USER MOD Single : A 88 SER OG : rot -79:sc= 0.255 USER MOD Single : A 92 MET CE :methyl -137:sc= -6.3 (180deg=-11.1!) USER MOD Single : A 95 ASN : amide:sc= -12.1! C(o=-12!,f=-22!) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot -160:sc= 1.11 USER MOD Single : A 103 SER OG : rot 100:sc= -0.0397 USER MOD Single : A 106 SER OG : rot -90:sc= -0.0201 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -37.380 -4.071 2.193 1.00 0.00 N ATOM 2 CA GLY A 1 -38.177 -3.862 0.996 1.00 0.00 C ATOM 3 C GLY A 1 -38.494 -2.378 0.801 1.00 0.00 C ATOM 4 O GLY A 1 -39.626 -1.948 1.018 1.00 0.00 O ATOM 0 H1 GLY A 1 -37.178 -5.085 2.303 1.00 0.00 H new ATOM 0 H2 GLY A 1 -36.485 -3.547 2.110 1.00 0.00 H new ATOM 0 H3 GLY A 1 -37.905 -3.730 3.024 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -37.640 -4.240 0.126 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -39.105 -4.429 1.069 1.00 0.00 H new ATOM 8 N SER A 2 -37.475 -1.637 0.394 1.00 0.00 N ATOM 9 CA SER A 2 -37.630 -0.210 0.167 1.00 0.00 C ATOM 10 C SER A 2 -37.688 0.078 -1.334 1.00 0.00 C ATOM 11 O SER A 2 -36.691 -0.075 -2.038 1.00 0.00 O ATOM 12 CB SER A 2 -36.491 0.579 0.816 1.00 0.00 C ATOM 13 OG SER A 2 -35.213 0.148 0.354 1.00 0.00 O ATOM 0 H SER A 2 -36.538 -1.998 0.215 1.00 0.00 H new ATOM 0 HA SER A 2 -38.565 0.110 0.628 1.00 0.00 H new ATOM 0 HB2 SER A 2 -36.616 1.640 0.600 1.00 0.00 H new ATOM 0 HB3 SER A 2 -36.542 0.466 1.899 1.00 0.00 H new ATOM 0 HG SER A 2 -35.248 0.001 -0.614 1.00 0.00 H new ATOM 19 N SER A 3 -38.865 0.491 -1.780 1.00 0.00 N ATOM 20 CA SER A 3 -39.066 0.801 -3.185 1.00 0.00 C ATOM 21 C SER A 3 -38.781 -0.435 -4.041 1.00 0.00 C ATOM 22 O SER A 3 -37.629 -0.713 -4.371 1.00 0.00 O ATOM 23 CB SER A 3 -38.177 1.967 -3.624 1.00 0.00 C ATOM 24 OG SER A 3 -38.515 3.178 -2.953 1.00 0.00 O ATOM 0 H SER A 3 -39.689 0.618 -1.193 1.00 0.00 H new ATOM 0 HA SER A 3 -40.105 1.099 -3.324 1.00 0.00 H new ATOM 0 HB2 SER A 3 -37.134 1.722 -3.426 1.00 0.00 H new ATOM 0 HB3 SER A 3 -38.272 2.110 -4.700 1.00 0.00 H new ATOM 0 HG SER A 3 -37.924 3.897 -3.259 1.00 0.00 H new ATOM 30 N GLY A 4 -39.849 -1.143 -4.375 1.00 0.00 N ATOM 31 CA GLY A 4 -39.728 -2.343 -5.186 1.00 0.00 C ATOM 32 C GLY A 4 -40.636 -3.455 -4.657 1.00 0.00 C ATOM 33 O GLY A 4 -41.075 -3.410 -3.509 1.00 0.00 O ATOM 0 H GLY A 4 -40.803 -0.909 -4.099 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -39.989 -2.116 -6.220 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -38.692 -2.683 -5.186 1.00 0.00 H new ATOM 37 N SER A 5 -40.890 -4.428 -5.520 1.00 0.00 N ATOM 38 CA SER A 5 -41.737 -5.551 -5.154 1.00 0.00 C ATOM 39 C SER A 5 -40.874 -6.754 -4.770 1.00 0.00 C ATOM 40 O SER A 5 -39.694 -6.812 -5.114 1.00 0.00 O ATOM 41 CB SER A 5 -42.685 -5.921 -6.296 1.00 0.00 C ATOM 42 OG SER A 5 -41.979 -6.337 -7.462 1.00 0.00 O ATOM 0 H SER A 5 -40.524 -4.462 -6.472 1.00 0.00 H new ATOM 0 HA SER A 5 -42.342 -5.257 -4.296 1.00 0.00 H new ATOM 0 HB2 SER A 5 -43.350 -6.721 -5.970 1.00 0.00 H new ATOM 0 HB3 SER A 5 -43.312 -5.063 -6.539 1.00 0.00 H new ATOM 0 HG SER A 5 -42.619 -6.566 -8.168 1.00 0.00 H new ATOM 48 N SER A 6 -41.495 -7.686 -4.061 1.00 0.00 N ATOM 49 CA SER A 6 -40.799 -8.884 -3.626 1.00 0.00 C ATOM 50 C SER A 6 -41.640 -10.122 -3.943 1.00 0.00 C ATOM 51 O SER A 6 -42.865 -10.041 -4.021 1.00 0.00 O ATOM 52 CB SER A 6 -40.483 -8.826 -2.131 1.00 0.00 C ATOM 53 OG SER A 6 -39.250 -9.471 -1.820 1.00 0.00 O ATOM 0 H SER A 6 -42.473 -7.635 -3.777 1.00 0.00 H new ATOM 0 HA SER A 6 -39.855 -8.946 -4.167 1.00 0.00 H new ATOM 0 HB2 SER A 6 -40.439 -7.785 -1.810 1.00 0.00 H new ATOM 0 HB3 SER A 6 -41.290 -9.298 -1.571 1.00 0.00 H new ATOM 0 HG SER A 6 -39.083 -9.411 -0.856 1.00 0.00 H new ATOM 59 N GLY A 7 -40.949 -11.239 -4.117 1.00 0.00 N ATOM 60 CA GLY A 7 -41.618 -12.493 -4.423 1.00 0.00 C ATOM 61 C GLY A 7 -40.635 -13.510 -5.007 1.00 0.00 C ATOM 62 O GLY A 7 -39.436 -13.445 -4.738 1.00 0.00 O ATOM 0 H GLY A 7 -39.933 -11.302 -4.052 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -42.071 -12.898 -3.518 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -42.426 -12.315 -5.132 1.00 0.00 H new ATOM 66 N PRO A 8 -41.193 -14.449 -5.817 1.00 0.00 N ATOM 67 CA PRO A 8 -40.380 -15.478 -6.441 1.00 0.00 C ATOM 68 C PRO A 8 -39.570 -14.905 -7.607 1.00 0.00 C ATOM 69 O PRO A 8 -40.074 -14.797 -8.723 1.00 0.00 O ATOM 70 CB PRO A 8 -41.366 -16.551 -6.874 1.00 0.00 C ATOM 71 CG PRO A 8 -42.729 -15.879 -6.896 1.00 0.00 C ATOM 72 CD PRO A 8 -42.609 -14.556 -6.158 1.00 0.00 C ATOM 0 HA PRO A 8 -39.634 -15.892 -5.763 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -41.108 -16.944 -7.857 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -41.357 -17.393 -6.182 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -43.057 -15.715 -7.922 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -43.476 -16.515 -6.420 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -42.930 -13.723 -6.784 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -43.234 -14.543 -5.265 1.00 0.00 H new ATOM 80 N THR A 9 -38.329 -14.553 -7.306 1.00 0.00 N ATOM 81 CA THR A 9 -37.445 -13.994 -8.315 1.00 0.00 C ATOM 82 C THR A 9 -36.009 -14.473 -8.090 1.00 0.00 C ATOM 83 O THR A 9 -35.237 -13.824 -7.387 1.00 0.00 O ATOM 84 CB THR A 9 -37.590 -12.472 -8.279 1.00 0.00 C ATOM 85 OG1 THR A 9 -37.123 -12.109 -6.983 1.00 0.00 O ATOM 86 CG2 THR A 9 -39.052 -12.022 -8.289 1.00 0.00 C ATOM 0 H THR A 9 -37.915 -14.644 -6.378 1.00 0.00 H new ATOM 0 HA THR A 9 -37.716 -14.337 -9.313 1.00 0.00 H new ATOM 0 HB THR A 9 -37.072 -12.038 -9.134 1.00 0.00 H new ATOM 0 HG1 THR A 9 -36.185 -12.377 -6.886 1.00 0.00 H new ATOM 0 HG21 THR A 9 -39.098 -10.933 -8.262 1.00 0.00 H new ATOM 0 HG22 THR A 9 -39.538 -12.384 -9.195 1.00 0.00 H new ATOM 0 HG23 THR A 9 -39.564 -12.428 -7.416 1.00 0.00 H new ATOM 94 N PRO A 10 -35.687 -15.636 -8.717 1.00 0.00 N ATOM 95 CA PRO A 10 -34.357 -16.210 -8.593 1.00 0.00 C ATOM 96 C PRO A 10 -33.344 -15.434 -9.437 1.00 0.00 C ATOM 97 O PRO A 10 -33.183 -15.705 -10.626 1.00 0.00 O ATOM 98 CB PRO A 10 -34.511 -17.657 -9.032 1.00 0.00 C ATOM 99 CG PRO A 10 -35.807 -17.718 -9.823 1.00 0.00 C ATOM 100 CD PRO A 10 -36.575 -16.433 -9.558 1.00 0.00 C ATOM 0 HA PRO A 10 -33.968 -16.155 -7.576 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -33.665 -17.971 -9.644 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -34.547 -18.324 -8.171 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -35.600 -17.826 -10.888 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -36.397 -18.584 -9.523 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -36.811 -15.914 -10.487 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -37.521 -16.634 -9.056 1.00 0.00 H new ATOM 108 N ALA A 11 -32.687 -14.483 -8.788 1.00 0.00 N ATOM 109 CA ALA A 11 -31.694 -13.666 -9.464 1.00 0.00 C ATOM 110 C ALA A 11 -30.704 -13.118 -8.434 1.00 0.00 C ATOM 111 O ALA A 11 -31.100 -12.706 -7.345 1.00 0.00 O ATOM 112 CB ALA A 11 -32.395 -12.554 -10.247 1.00 0.00 C ATOM 0 H ALA A 11 -32.823 -14.261 -7.802 1.00 0.00 H new ATOM 0 HA ALA A 11 -31.129 -14.263 -10.180 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -31.650 -11.941 -10.754 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -33.065 -12.995 -10.985 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -32.970 -11.932 -9.561 1.00 0.00 H new ATOM 118 N PRO A 12 -29.401 -13.133 -8.825 1.00 0.00 N ATOM 119 CA PRO A 12 -28.351 -12.643 -7.948 1.00 0.00 C ATOM 120 C PRO A 12 -28.354 -11.114 -7.891 1.00 0.00 C ATOM 121 O PRO A 12 -29.048 -10.461 -8.669 1.00 0.00 O ATOM 122 CB PRO A 12 -27.064 -13.214 -8.518 1.00 0.00 C ATOM 123 CG PRO A 12 -27.383 -13.614 -9.949 1.00 0.00 C ATOM 124 CD PRO A 12 -28.895 -13.614 -10.107 1.00 0.00 C ATOM 0 HA PRO A 12 -28.486 -12.958 -6.913 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -26.263 -12.476 -8.488 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -26.728 -14.073 -7.938 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -26.926 -12.917 -10.651 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -26.976 -14.601 -10.169 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -29.208 -12.965 -10.925 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -29.270 -14.613 -10.331 1.00 0.00 H new ATOM 132 N VAL A 13 -27.570 -10.587 -6.962 1.00 0.00 N ATOM 133 CA VAL A 13 -27.473 -9.147 -6.793 1.00 0.00 C ATOM 134 C VAL A 13 -26.007 -8.759 -6.587 1.00 0.00 C ATOM 135 O VAL A 13 -25.542 -8.655 -5.453 1.00 0.00 O ATOM 136 CB VAL A 13 -28.378 -8.692 -5.646 1.00 0.00 C ATOM 137 CG1 VAL A 13 -28.104 -9.502 -4.378 1.00 0.00 C ATOM 138 CG2 VAL A 13 -28.220 -7.193 -5.385 1.00 0.00 C ATOM 0 H VAL A 13 -26.996 -11.132 -6.318 1.00 0.00 H new ATOM 0 HA VAL A 13 -27.823 -8.634 -7.689 1.00 0.00 H new ATOM 0 HB VAL A 13 -29.411 -8.873 -5.942 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -28.760 -9.159 -3.578 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -28.291 -10.558 -4.573 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -27.065 -9.367 -4.078 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -28.874 -6.895 -4.565 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -27.185 -6.977 -5.120 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -28.488 -6.637 -6.283 1.00 0.00 H new ATOM 148 N TYR A 14 -25.319 -8.557 -7.702 1.00 0.00 N ATOM 149 CA TYR A 14 -23.916 -8.184 -7.658 1.00 0.00 C ATOM 150 C TYR A 14 -23.750 -6.723 -7.235 1.00 0.00 C ATOM 151 O TYR A 14 -24.734 -6.037 -6.959 1.00 0.00 O ATOM 152 CB TYR A 14 -23.390 -8.352 -9.084 1.00 0.00 C ATOM 153 CG TYR A 14 -23.576 -9.760 -9.654 1.00 0.00 C ATOM 154 CD1 TYR A 14 -22.643 -10.741 -9.387 1.00 0.00 C ATOM 155 CD2 TYR A 14 -24.677 -10.048 -10.435 1.00 0.00 C ATOM 156 CE1 TYR A 14 -22.819 -12.066 -9.923 1.00 0.00 C ATOM 157 CE2 TYR A 14 -24.852 -11.373 -10.971 1.00 0.00 C ATOM 158 CZ TYR A 14 -23.914 -12.317 -10.689 1.00 0.00 C ATOM 159 OH TYR A 14 -24.080 -13.568 -11.195 1.00 0.00 O ATOM 0 H TYR A 14 -25.708 -8.645 -8.641 1.00 0.00 H new ATOM 0 HA TYR A 14 -23.378 -8.801 -6.938 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -23.897 -7.638 -9.734 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -22.329 -8.101 -9.101 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -21.781 -10.515 -8.776 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -25.407 -9.280 -10.644 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -22.097 -12.843 -9.721 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -25.709 -11.612 -11.583 1.00 0.00 H new ATOM 0 HH TYR A 14 -24.906 -13.601 -11.721 1.00 0.00 H new ATOM 169 N ASP A 15 -22.499 -6.289 -7.198 1.00 0.00 N ATOM 170 CA ASP A 15 -22.192 -4.922 -6.813 1.00 0.00 C ATOM 171 C ASP A 15 -20.690 -4.796 -6.547 1.00 0.00 C ATOM 172 O ASP A 15 -20.281 -4.266 -5.515 1.00 0.00 O ATOM 173 CB ASP A 15 -22.933 -4.530 -5.534 1.00 0.00 C ATOM 174 CG ASP A 15 -24.272 -3.822 -5.753 1.00 0.00 C ATOM 175 OD1 ASP A 15 -24.260 -2.793 -6.463 1.00 0.00 O ATOM 176 OD2 ASP A 15 -25.276 -4.325 -5.205 1.00 0.00 O ATOM 0 H ASP A 15 -21.686 -6.860 -7.428 1.00 0.00 H new ATOM 0 HA ASP A 15 -22.503 -4.265 -7.625 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -23.107 -5.429 -4.943 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -22.288 -3.880 -4.943 1.00 0.00 H new ATOM 181 N VAL A 16 -19.910 -5.294 -7.495 1.00 0.00 N ATOM 182 CA VAL A 16 -18.463 -5.244 -7.376 1.00 0.00 C ATOM 183 C VAL A 16 -18.050 -5.781 -6.005 1.00 0.00 C ATOM 184 O VAL A 16 -18.869 -5.856 -5.090 1.00 0.00 O ATOM 185 CB VAL A 16 -17.965 -3.821 -7.635 1.00 0.00 C ATOM 186 CG1 VAL A 16 -18.275 -3.384 -9.068 1.00 0.00 C ATOM 187 CG2 VAL A 16 -18.558 -2.839 -6.622 1.00 0.00 C ATOM 0 H VAL A 16 -20.253 -5.734 -8.349 1.00 0.00 H new ATOM 0 HA VAL A 16 -17.996 -5.879 -8.129 1.00 0.00 H new ATOM 0 HB VAL A 16 -16.882 -3.818 -7.510 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -17.911 -2.369 -9.226 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -17.783 -4.059 -9.769 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -19.352 -3.412 -9.232 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -18.188 -1.835 -6.829 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -19.645 -2.848 -6.700 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -18.264 -3.134 -5.615 1.00 0.00 H new ATOM 197 N PRO A 17 -16.745 -6.152 -5.902 1.00 0.00 N ATOM 198 CA PRO A 17 -16.213 -6.680 -4.657 1.00 0.00 C ATOM 199 C PRO A 17 -16.013 -5.565 -3.629 1.00 0.00 C ATOM 200 O PRO A 17 -15.285 -4.606 -3.881 1.00 0.00 O ATOM 201 CB PRO A 17 -14.915 -7.369 -5.045 1.00 0.00 C ATOM 202 CG PRO A 17 -14.534 -6.806 -6.404 1.00 0.00 C ATOM 203 CD PRO A 17 -15.746 -6.077 -6.963 1.00 0.00 C ATOM 0 HA PRO A 17 -16.893 -7.382 -4.174 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -14.135 -7.175 -4.309 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -15.046 -8.450 -5.093 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -13.688 -6.125 -6.312 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -14.227 -7.607 -7.076 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -15.507 -5.042 -7.209 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -16.104 -6.548 -7.878 1.00 0.00 H new ATOM 211 N ASN A 18 -16.674 -5.727 -2.492 1.00 0.00 N ATOM 212 CA ASN A 18 -16.578 -4.746 -1.424 1.00 0.00 C ATOM 213 C ASN A 18 -15.110 -4.366 -1.216 1.00 0.00 C ATOM 214 O ASN A 18 -14.213 -5.062 -1.688 1.00 0.00 O ATOM 215 CB ASN A 18 -17.111 -5.312 -0.106 1.00 0.00 C ATOM 216 CG ASN A 18 -18.602 -5.009 0.057 1.00 0.00 C ATOM 217 OD1 ASN A 18 -19.057 -4.534 1.084 1.00 0.00 O ATOM 218 ND2 ASN A 18 -19.335 -5.310 -1.011 1.00 0.00 N ATOM 0 H ASN A 18 -17.278 -6.523 -2.287 1.00 0.00 H new ATOM 0 HA ASN A 18 -17.172 -3.878 -1.710 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -16.950 -6.390 -0.077 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -16.556 -4.884 0.729 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -20.342 -5.145 -1.002 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -18.891 -5.706 -1.840 1.00 0.00 H new ATOM 225 N PRO A 19 -14.907 -3.234 -0.491 1.00 0.00 N ATOM 226 CA PRO A 19 -13.564 -2.754 -0.214 1.00 0.00 C ATOM 227 C PRO A 19 -12.887 -3.606 0.861 1.00 0.00 C ATOM 228 O PRO A 19 -13.555 -4.149 1.739 1.00 0.00 O ATOM 229 CB PRO A 19 -13.743 -1.303 0.203 1.00 0.00 C ATOM 230 CG PRO A 19 -15.205 -1.159 0.593 1.00 0.00 C ATOM 231 CD PRO A 19 -15.946 -2.385 0.084 1.00 0.00 C ATOM 0 HA PRO A 19 -12.905 -2.828 -1.079 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.089 -1.053 1.039 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -13.488 -0.628 -0.614 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -15.305 -1.075 1.675 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -15.627 -0.251 0.162 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -16.471 -2.894 0.892 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -16.694 -2.115 -0.661 1.00 0.00 H new ATOM 239 N PRO A 20 -11.534 -3.699 0.753 1.00 0.00 N ATOM 240 CA PRO A 20 -10.759 -4.476 1.706 1.00 0.00 C ATOM 241 C PRO A 20 -10.637 -3.741 3.042 1.00 0.00 C ATOM 242 O PRO A 20 -10.976 -2.563 3.140 1.00 0.00 O ATOM 243 CB PRO A 20 -9.418 -4.704 1.029 1.00 0.00 C ATOM 244 CG PRO A 20 -9.324 -3.661 -0.072 1.00 0.00 C ATOM 245 CD PRO A 20 -10.710 -3.070 -0.274 1.00 0.00 C ATOM 0 HA PRO A 20 -11.230 -5.426 1.956 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -8.599 -4.597 1.740 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -9.354 -5.712 0.619 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -8.613 -2.881 0.200 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -8.963 -4.113 -0.996 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -10.698 -1.986 -0.163 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -11.090 -3.284 -1.273 1.00 0.00 H new ATOM 253 N PHE A 21 -10.152 -4.468 4.039 1.00 0.00 N ATOM 254 CA PHE A 21 -9.981 -3.900 5.365 1.00 0.00 C ATOM 255 C PHE A 21 -8.838 -4.588 6.113 1.00 0.00 C ATOM 256 O PHE A 21 -8.267 -5.561 5.622 1.00 0.00 O ATOM 257 CB PHE A 21 -11.287 -4.137 6.125 1.00 0.00 C ATOM 258 CG PHE A 21 -11.787 -5.582 6.068 1.00 0.00 C ATOM 259 CD1 PHE A 21 -11.346 -6.490 6.980 1.00 0.00 C ATOM 260 CD2 PHE A 21 -12.672 -5.958 5.107 1.00 0.00 C ATOM 261 CE1 PHE A 21 -11.809 -7.831 6.927 1.00 0.00 C ATOM 262 CE2 PHE A 21 -13.136 -7.299 5.055 1.00 0.00 C ATOM 263 CZ PHE A 21 -12.695 -8.207 5.966 1.00 0.00 C ATOM 0 H PHE A 21 -9.872 -5.445 3.954 1.00 0.00 H new ATOM 0 HA PHE A 21 -9.742 -2.839 5.287 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -11.145 -3.853 7.168 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -12.056 -3.481 5.718 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -10.644 -6.191 7.744 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -13.022 -5.237 4.383 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -11.458 -8.553 7.650 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -13.839 -7.598 4.292 1.00 0.00 H new ATOM 0 HZ PHE A 21 -13.048 -9.227 5.926 1.00 0.00 H new ATOM 273 N ASP A 22 -8.538 -4.057 7.289 1.00 0.00 N ATOM 274 CA ASP A 22 -7.473 -4.608 8.110 1.00 0.00 C ATOM 275 C ASP A 22 -6.130 -4.389 7.410 1.00 0.00 C ATOM 276 O ASP A 22 -5.155 -5.082 7.698 1.00 0.00 O ATOM 277 CB ASP A 22 -7.659 -6.113 8.315 1.00 0.00 C ATOM 278 CG ASP A 22 -7.564 -6.583 9.768 1.00 0.00 C ATOM 279 OD1 ASP A 22 -8.445 -6.174 10.556 1.00 0.00 O ATOM 280 OD2 ASP A 22 -6.614 -7.341 10.059 1.00 0.00 O ATOM 0 H ASP A 22 -9.014 -3.251 7.693 1.00 0.00 H new ATOM 0 HA ASP A 22 -7.498 -4.106 9.077 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -8.633 -6.401 7.918 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -6.907 -6.640 7.728 1.00 0.00 H new ATOM 285 N LEU A 23 -6.122 -3.423 6.503 1.00 0.00 N ATOM 286 CA LEU A 23 -4.915 -3.104 5.759 1.00 0.00 C ATOM 287 C LEU A 23 -3.746 -2.949 6.735 1.00 0.00 C ATOM 288 O LEU A 23 -3.910 -2.400 7.823 1.00 0.00 O ATOM 289 CB LEU A 23 -5.141 -1.880 4.871 1.00 0.00 C ATOM 290 CG LEU A 23 -5.046 -2.119 3.362 1.00 0.00 C ATOM 291 CD1 LEU A 23 -6.307 -2.806 2.836 1.00 0.00 C ATOM 292 CD2 LEU A 23 -4.750 -0.815 2.618 1.00 0.00 C ATOM 0 H LEU A 23 -6.932 -2.851 6.266 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.659 -3.918 5.081 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.127 -1.472 5.093 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.412 -1.118 5.145 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.210 -2.793 3.174 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -6.214 -2.964 1.762 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.433 -3.767 3.335 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -7.174 -2.177 3.036 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.688 -1.013 1.548 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.549 -0.098 2.809 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.803 -0.404 2.967 1.00 0.00 H new ATOM 304 N GLU A 24 -2.593 -3.443 6.310 1.00 0.00 N ATOM 305 CA GLU A 24 -1.397 -3.366 7.132 1.00 0.00 C ATOM 306 C GLU A 24 -0.157 -3.203 6.252 1.00 0.00 C ATOM 307 O GLU A 24 -0.226 -3.379 5.036 1.00 0.00 O ATOM 308 CB GLU A 24 -1.272 -4.596 8.033 1.00 0.00 C ATOM 309 CG GLU A 24 -1.551 -4.237 9.494 1.00 0.00 C ATOM 310 CD GLU A 24 -1.880 -5.487 10.313 1.00 0.00 C ATOM 311 OE1 GLU A 24 -0.915 -6.132 10.776 1.00 0.00 O ATOM 312 OE2 GLU A 24 -3.089 -5.769 10.457 1.00 0.00 O ATOM 0 H GLU A 24 -2.461 -3.898 5.407 1.00 0.00 H new ATOM 0 HA GLU A 24 -1.478 -2.490 7.776 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -1.971 -5.365 7.704 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -0.270 -5.017 7.943 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -0.682 -3.736 9.921 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -2.382 -3.534 9.547 1.00 0.00 H new ATOM 319 N LEU A 25 0.949 -2.867 6.899 1.00 0.00 N ATOM 320 CA LEU A 25 2.203 -2.678 6.190 1.00 0.00 C ATOM 321 C LEU A 25 3.341 -3.302 7.000 1.00 0.00 C ATOM 322 O LEU A 25 3.785 -2.732 7.996 1.00 0.00 O ATOM 323 CB LEU A 25 2.418 -1.198 5.868 1.00 0.00 C ATOM 324 CG LEU A 25 1.564 -0.627 4.734 1.00 0.00 C ATOM 325 CD1 LEU A 25 1.154 0.817 5.029 1.00 0.00 C ATOM 326 CD2 LEU A 25 2.281 -0.756 3.388 1.00 0.00 C ATOM 0 H LEU A 25 1.003 -2.721 7.907 1.00 0.00 H new ATOM 0 HA LEU A 25 2.178 -3.190 5.228 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.223 -0.618 6.770 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.468 -1.050 5.615 1.00 0.00 H new ATOM 0 HG LEU A 25 0.648 -1.214 4.668 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.548 1.198 4.207 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.575 0.850 5.952 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.046 1.433 5.138 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.652 -0.343 2.600 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.224 -0.210 3.424 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.479 -1.808 3.180 1.00 0.00 H new ATOM 338 N THR A 26 3.782 -4.465 6.542 1.00 0.00 N ATOM 339 CA THR A 26 4.860 -5.173 7.212 1.00 0.00 C ATOM 340 C THR A 26 5.755 -5.873 6.188 1.00 0.00 C ATOM 341 O THR A 26 5.262 -6.476 5.236 1.00 0.00 O ATOM 342 CB THR A 26 4.236 -6.131 8.229 1.00 0.00 C ATOM 343 OG1 THR A 26 3.515 -7.065 7.430 1.00 0.00 O ATOM 344 CG2 THR A 26 3.158 -5.459 9.081 1.00 0.00 C ATOM 0 H THR A 26 3.412 -4.934 5.715 1.00 0.00 H new ATOM 0 HA THR A 26 5.512 -4.484 7.750 1.00 0.00 H new ATOM 0 HB THR A 26 5.016 -6.529 8.878 1.00 0.00 H new ATOM 0 HG1 THR A 26 3.080 -7.724 8.010 1.00 0.00 H new ATOM 0 HG21 THR A 26 2.748 -6.182 9.786 1.00 0.00 H new ATOM 0 HG22 THR A 26 3.595 -4.625 9.630 1.00 0.00 H new ATOM 0 HG23 THR A 26 2.361 -5.090 8.435 1.00 0.00 H new ATOM 352 N ASP A 27 7.056 -5.769 6.417 1.00 0.00 N ATOM 353 CA ASP A 27 8.025 -6.385 5.526 1.00 0.00 C ATOM 354 C ASP A 27 9.237 -6.845 6.338 1.00 0.00 C ATOM 355 O ASP A 27 9.188 -6.884 7.567 1.00 0.00 O ATOM 356 CB ASP A 27 8.512 -5.390 4.471 1.00 0.00 C ATOM 357 CG ASP A 27 9.649 -4.472 4.924 1.00 0.00 C ATOM 358 OD1 ASP A 27 9.755 -4.263 6.152 1.00 0.00 O ATOM 359 OD2 ASP A 27 10.387 -4.001 4.032 1.00 0.00 O ATOM 0 H ASP A 27 7.462 -5.267 7.207 1.00 0.00 H new ATOM 0 HA ASP A 27 7.542 -7.227 5.031 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.842 -5.946 3.594 1.00 0.00 H new ATOM 0 HB3 ASP A 27 7.669 -4.773 4.159 1.00 0.00 H new ATOM 364 N GLN A 28 10.297 -7.182 5.619 1.00 0.00 N ATOM 365 CA GLN A 28 11.521 -7.638 6.257 1.00 0.00 C ATOM 366 C GLN A 28 12.733 -6.934 5.644 1.00 0.00 C ATOM 367 O GLN A 28 13.605 -6.452 6.365 1.00 0.00 O ATOM 368 CB GLN A 28 11.659 -9.158 6.154 1.00 0.00 C ATOM 369 CG GLN A 28 11.758 -9.601 4.693 1.00 0.00 C ATOM 370 CD GLN A 28 11.477 -11.099 4.554 1.00 0.00 C ATOM 371 OE1 GLN A 28 12.314 -11.942 4.830 1.00 0.00 O ATOM 372 NE2 GLN A 28 10.255 -11.382 4.112 1.00 0.00 N ATOM 0 H GLN A 28 10.334 -7.149 4.600 1.00 0.00 H new ATOM 0 HA GLN A 28 11.474 -7.382 7.315 1.00 0.00 H new ATOM 0 HB2 GLN A 28 12.546 -9.484 6.698 1.00 0.00 H new ATOM 0 HB3 GLN A 28 10.801 -9.638 6.626 1.00 0.00 H new ATOM 0 HG2 GLN A 28 11.048 -9.037 4.089 1.00 0.00 H new ATOM 0 HG3 GLN A 28 12.753 -9.377 4.308 1.00 0.00 H new ATOM 0 HE21 GLN A 28 9.602 -10.628 3.899 1.00 0.00 H new ATOM 0 HE22 GLN A 28 9.971 -12.353 3.986 1.00 0.00 H new ATOM 381 N LEU A 29 12.749 -6.897 4.320 1.00 0.00 N ATOM 382 CA LEU A 29 13.840 -6.260 3.602 1.00 0.00 C ATOM 383 C LEU A 29 13.474 -4.803 3.314 1.00 0.00 C ATOM 384 O LEU A 29 12.435 -4.526 2.716 1.00 0.00 O ATOM 385 CB LEU A 29 14.199 -7.063 2.350 1.00 0.00 C ATOM 386 CG LEU A 29 15.674 -7.434 2.190 1.00 0.00 C ATOM 387 CD1 LEU A 29 15.827 -8.858 1.652 1.00 0.00 C ATOM 388 CD2 LEU A 29 16.406 -6.410 1.320 1.00 0.00 C ATOM 0 H LEU A 29 12.024 -7.298 3.725 1.00 0.00 H new ATOM 0 HA LEU A 29 14.742 -6.247 4.214 1.00 0.00 H new ATOM 0 HB2 LEU A 29 13.612 -7.982 2.351 1.00 0.00 H new ATOM 0 HB3 LEU A 29 13.892 -6.490 1.475 1.00 0.00 H new ATOM 0 HG LEU A 29 16.140 -7.411 3.175 1.00 0.00 H new ATOM 0 HD11 LEU A 29 16.886 -9.096 1.548 1.00 0.00 H new ATOM 0 HD12 LEU A 29 15.364 -9.560 2.345 1.00 0.00 H new ATOM 0 HD13 LEU A 29 15.341 -8.934 0.679 1.00 0.00 H new ATOM 0 HD21 LEU A 29 17.453 -6.698 1.222 1.00 0.00 H new ATOM 0 HD22 LEU A 29 15.945 -6.376 0.333 1.00 0.00 H new ATOM 0 HD23 LEU A 29 16.342 -5.426 1.784 1.00 0.00 H new ATOM 400 N ASP A 30 14.347 -3.908 3.754 1.00 0.00 N ATOM 401 CA ASP A 30 14.128 -2.486 3.551 1.00 0.00 C ATOM 402 C ASP A 30 14.397 -2.137 2.086 1.00 0.00 C ATOM 403 O ASP A 30 15.538 -1.882 1.704 1.00 0.00 O ATOM 404 CB ASP A 30 15.077 -1.654 4.417 1.00 0.00 C ATOM 405 CG ASP A 30 14.716 -1.600 5.903 1.00 0.00 C ATOM 406 OD1 ASP A 30 13.546 -1.911 6.215 1.00 0.00 O ATOM 407 OD2 ASP A 30 15.618 -1.248 6.693 1.00 0.00 O ATOM 0 H ASP A 30 15.207 -4.140 4.250 1.00 0.00 H new ATOM 0 HA ASP A 30 13.097 -2.261 3.825 1.00 0.00 H new ATOM 0 HB2 ASP A 30 16.084 -2.059 4.318 1.00 0.00 H new ATOM 0 HB3 ASP A 30 15.102 -0.636 4.027 1.00 0.00 H new ATOM 412 N LYS A 31 13.326 -2.137 1.305 1.00 0.00 N ATOM 413 CA LYS A 31 13.432 -1.823 -0.109 1.00 0.00 C ATOM 414 C LYS A 31 12.083 -2.077 -0.786 1.00 0.00 C ATOM 415 O LYS A 31 11.592 -1.233 -1.534 1.00 0.00 O ATOM 416 CB LYS A 31 14.592 -2.594 -0.744 1.00 0.00 C ATOM 417 CG LYS A 31 15.611 -1.636 -1.365 1.00 0.00 C ATOM 418 CD LYS A 31 17.040 -2.052 -1.012 1.00 0.00 C ATOM 419 CE LYS A 31 17.361 -3.441 -1.568 1.00 0.00 C ATOM 420 NZ LYS A 31 18.583 -3.984 -0.934 1.00 0.00 N ATOM 0 H LYS A 31 12.381 -2.349 1.625 1.00 0.00 H new ATOM 0 HA LYS A 31 13.666 -0.768 -0.248 1.00 0.00 H new ATOM 0 HB2 LYS A 31 15.080 -3.211 0.011 1.00 0.00 H new ATOM 0 HB3 LYS A 31 14.209 -3.270 -1.509 1.00 0.00 H new ATOM 0 HG2 LYS A 31 15.489 -1.622 -2.448 1.00 0.00 H new ATOM 0 HG3 LYS A 31 15.425 -0.622 -1.010 1.00 0.00 H new ATOM 0 HD2 LYS A 31 17.744 -1.324 -1.414 1.00 0.00 H new ATOM 0 HD3 LYS A 31 17.165 -2.052 0.071 1.00 0.00 H new ATOM 0 HE2 LYS A 31 16.522 -4.113 -1.389 1.00 0.00 H new ATOM 0 HE3 LYS A 31 17.499 -3.384 -2.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 18.786 -4.927 -1.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 19.385 -3.350 -1.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 18.438 -4.057 0.093 1.00 0.00 H new ATOM 434 N SER A 32 11.522 -3.242 -0.498 1.00 0.00 N ATOM 435 CA SER A 32 10.240 -3.617 -1.068 1.00 0.00 C ATOM 436 C SER A 32 9.288 -4.074 0.038 1.00 0.00 C ATOM 437 O SER A 32 9.271 -5.249 0.401 1.00 0.00 O ATOM 438 CB SER A 32 10.404 -4.719 -2.116 1.00 0.00 C ATOM 439 OG SER A 32 10.506 -4.191 -3.436 1.00 0.00 O ATOM 0 H SER A 32 11.933 -3.939 0.123 1.00 0.00 H new ATOM 0 HA SER A 32 9.818 -2.742 -1.563 1.00 0.00 H new ATOM 0 HB2 SER A 32 11.295 -5.304 -1.890 1.00 0.00 H new ATOM 0 HB3 SER A 32 9.554 -5.399 -2.063 1.00 0.00 H new ATOM 0 HG SER A 32 10.611 -4.926 -4.075 1.00 0.00 H new ATOM 445 N VAL A 33 8.519 -3.121 0.545 1.00 0.00 N ATOM 446 CA VAL A 33 7.566 -3.412 1.603 1.00 0.00 C ATOM 447 C VAL A 33 6.360 -4.144 1.011 1.00 0.00 C ATOM 448 O VAL A 33 5.995 -3.916 -0.141 1.00 0.00 O ATOM 449 CB VAL A 33 7.184 -2.122 2.331 1.00 0.00 C ATOM 450 CG1 VAL A 33 6.357 -1.206 1.426 1.00 0.00 C ATOM 451 CG2 VAL A 33 6.437 -2.427 3.631 1.00 0.00 C ATOM 0 H VAL A 33 8.537 -2.147 0.243 1.00 0.00 H new ATOM 0 HA VAL A 33 8.012 -4.071 2.348 1.00 0.00 H new ATOM 0 HB VAL A 33 8.104 -1.597 2.588 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.099 -0.296 1.968 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.938 -0.948 0.540 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.444 -1.720 1.124 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.177 -1.493 4.129 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.527 -2.984 3.406 1.00 0.00 H new ATOM 0 HG23 VAL A 33 7.074 -3.022 4.286 1.00 0.00 H new ATOM 461 N GLN A 34 5.776 -5.010 1.826 1.00 0.00 N ATOM 462 CA GLN A 34 4.619 -5.778 1.398 1.00 0.00 C ATOM 463 C GLN A 34 3.343 -5.204 2.016 1.00 0.00 C ATOM 464 O GLN A 34 3.286 -4.962 3.221 1.00 0.00 O ATOM 465 CB GLN A 34 4.782 -7.257 1.750 1.00 0.00 C ATOM 466 CG GLN A 34 3.555 -8.062 1.317 1.00 0.00 C ATOM 467 CD GLN A 34 2.615 -8.309 2.499 1.00 0.00 C ATOM 468 OE1 GLN A 34 3.029 -8.657 3.592 1.00 0.00 O ATOM 469 NE2 GLN A 34 1.330 -8.109 2.219 1.00 0.00 N ATOM 0 H GLN A 34 6.082 -5.197 2.781 1.00 0.00 H new ATOM 0 HA GLN A 34 4.539 -5.704 0.313 1.00 0.00 H new ATOM 0 HB2 GLN A 34 5.673 -7.654 1.263 1.00 0.00 H new ATOM 0 HB3 GLN A 34 4.931 -7.365 2.824 1.00 0.00 H new ATOM 0 HG2 GLN A 34 3.023 -7.526 0.531 1.00 0.00 H new ATOM 0 HG3 GLN A 34 3.872 -9.016 0.895 1.00 0.00 H new ATOM 0 HE21 GLN A 34 1.052 -7.818 1.282 1.00 0.00 H new ATOM 0 HE22 GLN A 34 0.623 -8.247 2.941 1.00 0.00 H new ATOM 478 N LEU A 35 2.349 -5.001 1.163 1.00 0.00 N ATOM 479 CA LEU A 35 1.077 -4.460 1.610 1.00 0.00 C ATOM 480 C LEU A 35 0.059 -5.595 1.730 1.00 0.00 C ATOM 481 O LEU A 35 -0.281 -6.237 0.737 1.00 0.00 O ATOM 482 CB LEU A 35 0.625 -3.324 0.691 1.00 0.00 C ATOM 483 CG LEU A 35 -0.787 -2.787 0.931 1.00 0.00 C ATOM 484 CD1 LEU A 35 -0.826 -1.878 2.161 1.00 0.00 C ATOM 485 CD2 LEU A 35 -1.328 -2.087 -0.317 1.00 0.00 C ATOM 0 H LEU A 35 2.399 -5.202 0.164 1.00 0.00 H new ATOM 0 HA LEU A 35 1.179 -4.016 2.600 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.329 -2.498 0.795 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.690 -3.670 -0.340 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.444 -3.633 1.135 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.841 -1.510 2.309 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.512 -2.441 3.040 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.152 -1.034 2.011 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.333 -1.715 -0.119 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.677 -1.252 -0.577 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.360 -2.794 -1.146 1.00 0.00 H new ATOM 497 N SER A 36 -0.400 -5.809 2.955 1.00 0.00 N ATOM 498 CA SER A 36 -1.373 -6.856 3.217 1.00 0.00 C ATOM 499 C SER A 36 -2.778 -6.256 3.298 1.00 0.00 C ATOM 500 O SER A 36 -3.014 -5.320 4.060 1.00 0.00 O ATOM 501 CB SER A 36 -1.041 -7.605 4.510 1.00 0.00 C ATOM 502 OG SER A 36 -1.771 -7.098 5.623 1.00 0.00 O ATOM 0 H SER A 36 -0.116 -5.275 3.776 1.00 0.00 H new ATOM 0 HA SER A 36 -1.336 -7.571 2.395 1.00 0.00 H new ATOM 0 HB2 SER A 36 -1.264 -8.664 4.383 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.027 -7.526 4.711 1.00 0.00 H new ATOM 0 HG SER A 36 -2.062 -6.182 5.433 1.00 0.00 H new ATOM 508 N TRP A 37 -3.674 -6.820 2.502 1.00 0.00 N ATOM 509 CA TRP A 37 -5.050 -6.353 2.473 1.00 0.00 C ATOM 510 C TRP A 37 -5.966 -7.571 2.599 1.00 0.00 C ATOM 511 O TRP A 37 -5.533 -8.702 2.382 1.00 0.00 O ATOM 512 CB TRP A 37 -5.322 -5.527 1.215 1.00 0.00 C ATOM 513 CG TRP A 37 -5.146 -6.305 -0.091 1.00 0.00 C ATOM 514 CD1 TRP A 37 -6.060 -7.033 -0.747 1.00 0.00 C ATOM 515 CD2 TRP A 37 -3.939 -6.404 -0.876 1.00 0.00 C ATOM 516 NE1 TRP A 37 -5.533 -7.592 -1.894 1.00 0.00 N ATOM 517 CE2 TRP A 37 -4.202 -7.197 -1.975 1.00 0.00 C ATOM 518 CE3 TRP A 37 -2.668 -5.842 -0.666 1.00 0.00 C ATOM 519 CZ2 TRP A 37 -3.243 -7.500 -2.949 1.00 0.00 C ATOM 520 CZ3 TRP A 37 -1.721 -6.154 -1.648 1.00 0.00 C ATOM 521 CH2 TRP A 37 -1.969 -6.951 -2.760 1.00 0.00 C ATOM 0 H TRP A 37 -3.474 -7.597 1.872 1.00 0.00 H new ATOM 0 HA TRP A 37 -5.247 -5.682 3.309 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -6.340 -5.139 1.261 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -4.653 -4.666 1.206 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -7.081 -7.166 -0.420 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -6.028 -8.185 -2.559 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -2.440 -5.219 0.186 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -3.474 -8.124 -3.800 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -0.727 -5.747 -1.534 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -1.183 -7.146 -3.474 1.00 0.00 H new ATOM 532 N THR A 38 -7.215 -7.300 2.948 1.00 0.00 N ATOM 533 CA THR A 38 -8.196 -8.360 3.105 1.00 0.00 C ATOM 534 C THR A 38 -9.466 -8.032 2.318 1.00 0.00 C ATOM 535 O THR A 38 -10.208 -7.121 2.681 1.00 0.00 O ATOM 536 CB THR A 38 -8.442 -8.558 4.602 1.00 0.00 C ATOM 537 OG1 THR A 38 -7.161 -8.903 5.122 1.00 0.00 O ATOM 538 CG2 THR A 38 -9.306 -9.787 4.895 1.00 0.00 C ATOM 0 H THR A 38 -7.570 -6.361 3.127 1.00 0.00 H new ATOM 0 HA THR A 38 -7.831 -9.301 2.694 1.00 0.00 H new ATOM 0 HB THR A 38 -8.923 -7.670 5.012 1.00 0.00 H new ATOM 0 HG1 THR A 38 -7.229 -9.048 6.089 1.00 0.00 H new ATOM 0 HG21 THR A 38 -9.450 -9.882 5.971 1.00 0.00 H new ATOM 0 HG22 THR A 38 -10.274 -9.676 4.407 1.00 0.00 H new ATOM 0 HG23 THR A 38 -8.809 -10.680 4.515 1.00 0.00 H new ATOM 546 N PRO A 39 -9.683 -8.814 1.226 1.00 0.00 N ATOM 547 CA PRO A 39 -10.851 -8.616 0.385 1.00 0.00 C ATOM 548 C PRO A 39 -12.113 -9.152 1.063 1.00 0.00 C ATOM 549 O PRO A 39 -12.284 -10.363 1.198 1.00 0.00 O ATOM 550 CB PRO A 39 -10.526 -9.333 -0.915 1.00 0.00 C ATOM 551 CG PRO A 39 -9.393 -10.293 -0.589 1.00 0.00 C ATOM 552 CD PRO A 39 -8.827 -9.903 0.766 1.00 0.00 C ATOM 0 HA PRO A 39 -11.063 -7.563 0.202 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -11.396 -9.870 -1.293 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -10.228 -8.625 -1.688 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -9.757 -11.320 -0.569 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -8.619 -10.244 -1.355 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -8.848 -10.743 1.460 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -7.788 -9.583 0.684 1.00 0.00 H new ATOM 560 N GLY A 40 -12.966 -8.225 1.473 1.00 0.00 N ATOM 561 CA GLY A 40 -14.208 -8.589 2.134 1.00 0.00 C ATOM 562 C GLY A 40 -15.104 -9.409 1.204 1.00 0.00 C ATOM 563 O GLY A 40 -14.620 -10.263 0.463 1.00 0.00 O ATOM 0 H GLY A 40 -12.821 -7.222 1.360 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -13.990 -9.163 3.034 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -14.734 -7.688 2.450 1.00 0.00 H new ATOM 567 N ASP A 41 -16.395 -9.121 1.274 1.00 0.00 N ATOM 568 CA ASP A 41 -17.364 -9.821 0.447 1.00 0.00 C ATOM 569 C ASP A 41 -17.004 -9.627 -1.027 1.00 0.00 C ATOM 570 O ASP A 41 -16.305 -8.679 -1.380 1.00 0.00 O ATOM 571 CB ASP A 41 -18.775 -9.271 0.666 1.00 0.00 C ATOM 572 CG ASP A 41 -19.244 -9.255 2.122 1.00 0.00 C ATOM 573 OD1 ASP A 41 -19.401 -10.362 2.680 1.00 0.00 O ATOM 574 OD2 ASP A 41 -19.434 -8.135 2.644 1.00 0.00 O ATOM 0 H ASP A 41 -16.793 -8.413 1.890 1.00 0.00 H new ATOM 0 HA ASP A 41 -17.342 -10.876 0.721 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -18.817 -8.254 0.275 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -19.476 -9.867 0.081 1.00 0.00 H new ATOM 579 N ASP A 42 -17.499 -10.542 -1.849 1.00 0.00 N ATOM 580 CA ASP A 42 -17.238 -10.483 -3.277 1.00 0.00 C ATOM 581 C ASP A 42 -18.515 -10.062 -4.007 1.00 0.00 C ATOM 582 O ASP A 42 -18.464 -9.640 -5.162 1.00 0.00 O ATOM 583 CB ASP A 42 -16.815 -11.851 -3.816 1.00 0.00 C ATOM 584 CG ASP A 42 -16.097 -12.750 -2.807 1.00 0.00 C ATOM 585 OD1 ASP A 42 -15.499 -12.183 -1.867 1.00 0.00 O ATOM 586 OD2 ASP A 42 -16.162 -13.983 -2.999 1.00 0.00 O ATOM 0 H ASP A 42 -18.079 -11.327 -1.553 1.00 0.00 H new ATOM 0 HA ASP A 42 -16.435 -9.765 -3.444 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -17.701 -12.372 -4.178 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -16.161 -11.700 -4.675 1.00 0.00 H new ATOM 591 N ASN A 43 -19.631 -10.191 -3.304 1.00 0.00 N ATOM 592 CA ASN A 43 -20.919 -9.829 -3.871 1.00 0.00 C ATOM 593 C ASN A 43 -21.192 -10.697 -5.101 1.00 0.00 C ATOM 594 O ASN A 43 -21.261 -10.191 -6.219 1.00 0.00 O ATOM 595 CB ASN A 43 -20.933 -8.364 -4.314 1.00 0.00 C ATOM 596 CG ASN A 43 -21.144 -7.432 -3.119 1.00 0.00 C ATOM 597 OD1 ASN A 43 -22.003 -6.566 -3.118 1.00 0.00 O ATOM 598 ND2 ASN A 43 -20.313 -7.657 -2.105 1.00 0.00 N ATOM 0 H ASN A 43 -19.670 -10.541 -2.347 1.00 0.00 H new ATOM 0 HA ASN A 43 -21.680 -9.982 -3.106 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -19.992 -8.121 -4.808 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -21.726 -8.209 -5.045 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -20.372 -7.088 -1.261 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -19.616 -8.399 -2.172 1.00 0.00 H new ATOM 605 N ASN A 44 -21.340 -11.990 -4.851 1.00 0.00 N ATOM 606 CA ASN A 44 -21.605 -12.934 -5.924 1.00 0.00 C ATOM 607 C ASN A 44 -20.369 -13.041 -6.819 1.00 0.00 C ATOM 608 O ASN A 44 -19.790 -14.117 -6.958 1.00 0.00 O ATOM 609 CB ASN A 44 -22.777 -12.469 -6.790 1.00 0.00 C ATOM 610 CG ASN A 44 -24.085 -12.486 -5.997 1.00 0.00 C ATOM 611 OD1 ASN A 44 -24.595 -13.526 -5.613 1.00 0.00 O ATOM 612 ND2 ASN A 44 -24.599 -11.279 -5.774 1.00 0.00 N ATOM 0 H ASN A 44 -21.281 -12.406 -3.922 1.00 0.00 H new ATOM 0 HA ASN A 44 -21.849 -13.896 -5.474 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -22.584 -11.462 -7.159 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -22.868 -13.116 -7.663 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -25.471 -11.184 -5.254 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -24.121 -10.449 -6.123 1.00 0.00 H new ATOM 619 N SER A 45 -20.001 -11.910 -7.404 1.00 0.00 N ATOM 620 CA SER A 45 -18.844 -11.863 -8.282 1.00 0.00 C ATOM 621 C SER A 45 -17.558 -11.962 -7.459 1.00 0.00 C ATOM 622 O SER A 45 -17.270 -11.088 -6.643 1.00 0.00 O ATOM 623 CB SER A 45 -18.840 -10.584 -9.120 1.00 0.00 C ATOM 624 OG SER A 45 -19.687 -10.691 -10.262 1.00 0.00 O ATOM 0 H SER A 45 -20.484 -11.019 -7.287 1.00 0.00 H new ATOM 0 HA SER A 45 -18.898 -12.712 -8.964 1.00 0.00 H new ATOM 0 HB2 SER A 45 -19.166 -9.746 -8.504 1.00 0.00 H new ATOM 0 HB3 SER A 45 -17.822 -10.365 -9.443 1.00 0.00 H new ATOM 0 HG SER A 45 -20.618 -10.788 -9.971 1.00 0.00 H new ATOM 630 N PRO A 46 -16.799 -13.063 -7.708 1.00 0.00 N ATOM 631 CA PRO A 46 -15.551 -13.288 -7.000 1.00 0.00 C ATOM 632 C PRO A 46 -14.448 -12.366 -7.526 1.00 0.00 C ATOM 633 O PRO A 46 -14.444 -12.007 -8.702 1.00 0.00 O ATOM 634 CB PRO A 46 -15.241 -14.762 -7.206 1.00 0.00 C ATOM 635 CG PRO A 46 -16.074 -15.199 -8.400 1.00 0.00 C ATOM 636 CD PRO A 46 -17.109 -14.119 -8.668 1.00 0.00 C ATOM 0 HA PRO A 46 -15.623 -13.055 -5.938 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -14.178 -14.915 -7.394 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -15.495 -15.342 -6.319 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -15.440 -15.345 -9.274 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -16.561 -16.153 -8.197 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -17.044 -13.754 -9.693 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -18.122 -14.497 -8.528 1.00 0.00 H new ATOM 644 N ILE A 47 -13.541 -12.010 -6.629 1.00 0.00 N ATOM 645 CA ILE A 47 -12.436 -11.137 -6.988 1.00 0.00 C ATOM 646 C ILE A 47 -11.543 -11.845 -8.009 1.00 0.00 C ATOM 647 O ILE A 47 -11.331 -13.054 -7.921 1.00 0.00 O ATOM 648 CB ILE A 47 -11.690 -10.674 -5.735 1.00 0.00 C ATOM 649 CG1 ILE A 47 -11.758 -9.153 -5.586 1.00 0.00 C ATOM 650 CG2 ILE A 47 -10.248 -11.186 -5.735 1.00 0.00 C ATOM 651 CD1 ILE A 47 -11.127 -8.456 -6.793 1.00 0.00 C ATOM 0 H ILE A 47 -13.548 -12.310 -5.654 1.00 0.00 H new ATOM 0 HA ILE A 47 -12.807 -10.229 -7.464 1.00 0.00 H new ATOM 0 HB ILE A 47 -12.185 -11.105 -4.865 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -12.797 -8.840 -5.483 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -11.242 -8.850 -4.675 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -9.740 -10.843 -4.834 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -10.249 -12.276 -5.758 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -9.727 -10.805 -6.613 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -11.188 -7.376 -6.662 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -10.082 -8.752 -6.879 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -11.661 -8.743 -7.699 1.00 0.00 H new ATOM 663 N THR A 48 -11.044 -11.062 -8.954 1.00 0.00 N ATOM 664 CA THR A 48 -10.179 -11.599 -9.991 1.00 0.00 C ATOM 665 C THR A 48 -8.859 -10.828 -10.036 1.00 0.00 C ATOM 666 O THR A 48 -7.811 -11.400 -10.332 1.00 0.00 O ATOM 667 CB THR A 48 -10.949 -11.565 -11.313 1.00 0.00 C ATOM 668 OG1 THR A 48 -11.102 -10.176 -11.590 1.00 0.00 O ATOM 669 CG2 THR A 48 -12.383 -12.077 -11.169 1.00 0.00 C ATOM 0 H THR A 48 -11.222 -10.060 -9.023 1.00 0.00 H new ATOM 0 HA THR A 48 -9.907 -12.634 -9.783 1.00 0.00 H new ATOM 0 HB THR A 48 -10.423 -12.165 -12.055 1.00 0.00 H new ATOM 0 HG1 THR A 48 -11.508 -9.731 -10.817 1.00 0.00 H new ATOM 0 HG21 THR A 48 -12.884 -12.031 -12.136 1.00 0.00 H new ATOM 0 HG22 THR A 48 -12.367 -13.108 -10.817 1.00 0.00 H new ATOM 0 HG23 THR A 48 -12.921 -11.457 -10.452 1.00 0.00 H new ATOM 677 N LYS A 49 -8.952 -9.540 -9.739 1.00 0.00 N ATOM 678 CA LYS A 49 -7.778 -8.684 -9.742 1.00 0.00 C ATOM 679 C LYS A 49 -7.848 -7.726 -8.551 1.00 0.00 C ATOM 680 O LYS A 49 -8.928 -7.458 -8.028 1.00 0.00 O ATOM 681 CB LYS A 49 -7.633 -7.979 -11.091 1.00 0.00 C ATOM 682 CG LYS A 49 -7.117 -6.550 -10.910 1.00 0.00 C ATOM 683 CD LYS A 49 -6.808 -5.903 -12.262 1.00 0.00 C ATOM 684 CE LYS A 49 -8.089 -5.673 -13.066 1.00 0.00 C ATOM 685 NZ LYS A 49 -7.850 -5.925 -14.505 1.00 0.00 N ATOM 0 H LYS A 49 -9.823 -9.068 -9.495 1.00 0.00 H new ATOM 0 HA LYS A 49 -6.872 -9.278 -9.621 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -6.947 -8.539 -11.726 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -8.596 -7.960 -11.601 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -7.861 -5.955 -10.380 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -6.218 -6.559 -10.293 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -6.297 -4.953 -12.106 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -6.129 -6.541 -12.828 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -8.877 -6.332 -12.701 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -8.437 -4.650 -12.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -8.729 -5.764 -15.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -7.113 -5.279 -14.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -7.540 -6.909 -14.638 1.00 0.00 H new ATOM 699 N PHE A 50 -6.681 -7.236 -8.158 1.00 0.00 N ATOM 700 CA PHE A 50 -6.596 -6.313 -7.039 1.00 0.00 C ATOM 701 C PHE A 50 -5.678 -5.135 -7.368 1.00 0.00 C ATOM 702 O PHE A 50 -4.456 -5.274 -7.357 1.00 0.00 O ATOM 703 CB PHE A 50 -6.005 -7.092 -5.861 1.00 0.00 C ATOM 704 CG PHE A 50 -7.036 -7.896 -5.067 1.00 0.00 C ATOM 705 CD1 PHE A 50 -8.190 -7.304 -4.655 1.00 0.00 C ATOM 706 CD2 PHE A 50 -6.799 -9.202 -4.773 1.00 0.00 C ATOM 707 CE1 PHE A 50 -9.146 -8.051 -3.918 1.00 0.00 C ATOM 708 CE2 PHE A 50 -7.756 -9.949 -4.036 1.00 0.00 C ATOM 709 CZ PHE A 50 -8.910 -9.358 -3.624 1.00 0.00 C ATOM 0 H PHE A 50 -5.787 -7.461 -8.595 1.00 0.00 H new ATOM 0 HA PHE A 50 -7.584 -5.915 -6.809 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -5.240 -7.772 -6.236 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -5.509 -6.392 -5.188 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -8.378 -6.267 -4.889 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -5.883 -9.671 -5.100 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -10.062 -7.581 -3.590 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -7.568 -10.986 -3.803 1.00 0.00 H new ATOM 0 HZ PHE A 50 -9.638 -9.926 -3.064 1.00 0.00 H new ATOM 719 N ILE A 51 -6.302 -4.001 -7.653 1.00 0.00 N ATOM 720 CA ILE A 51 -5.556 -2.800 -7.985 1.00 0.00 C ATOM 721 C ILE A 51 -5.235 -2.032 -6.701 1.00 0.00 C ATOM 722 O ILE A 51 -5.945 -2.159 -5.704 1.00 0.00 O ATOM 723 CB ILE A 51 -6.311 -1.970 -9.025 1.00 0.00 C ATOM 724 CG1 ILE A 51 -6.487 -2.752 -10.328 1.00 0.00 C ATOM 725 CG2 ILE A 51 -5.626 -0.621 -9.254 1.00 0.00 C ATOM 726 CD1 ILE A 51 -7.963 -2.841 -10.720 1.00 0.00 C ATOM 0 H ILE A 51 -7.316 -3.889 -7.661 1.00 0.00 H new ATOM 0 HA ILE A 51 -4.604 -3.060 -8.448 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.308 -1.762 -8.637 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.924 -2.268 -11.126 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.077 -3.755 -10.212 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.183 -0.052 -9.998 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -5.597 -0.064 -8.317 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -4.609 -0.785 -9.610 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -8.059 -3.402 -11.650 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -8.519 -3.348 -9.931 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -8.364 -1.837 -10.859 1.00 0.00 H new ATOM 738 N ILE A 52 -4.166 -1.252 -6.766 1.00 0.00 N ATOM 739 CA ILE A 52 -3.743 -0.464 -5.621 1.00 0.00 C ATOM 740 C ILE A 52 -3.468 0.972 -6.069 1.00 0.00 C ATOM 741 O ILE A 52 -3.235 1.224 -7.251 1.00 0.00 O ATOM 742 CB ILE A 52 -2.555 -1.129 -4.923 1.00 0.00 C ATOM 743 CG1 ILE A 52 -2.969 -2.455 -4.280 1.00 0.00 C ATOM 744 CG2 ILE A 52 -1.911 -0.178 -3.912 1.00 0.00 C ATOM 745 CD1 ILE A 52 -2.179 -3.622 -4.876 1.00 0.00 C ATOM 0 H ILE A 52 -3.580 -1.149 -7.594 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.537 -0.419 -4.875 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.801 -1.358 -5.676 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.802 -2.410 -3.204 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -4.036 -2.619 -4.430 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.069 -0.675 -3.430 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.558 0.716 -4.427 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.646 0.104 -3.158 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -2.492 -4.553 -4.402 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.368 -3.679 -5.948 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.114 -3.467 -4.703 1.00 0.00 H new ATOM 757 N GLU A 53 -3.503 1.877 -5.102 1.00 0.00 N ATOM 758 CA GLU A 53 -3.260 3.282 -5.383 1.00 0.00 C ATOM 759 C GLU A 53 -2.762 3.996 -4.125 1.00 0.00 C ATOM 760 O GLU A 53 -2.942 3.501 -3.013 1.00 0.00 O ATOM 761 CB GLU A 53 -4.518 3.957 -5.934 1.00 0.00 C ATOM 762 CG GLU A 53 -4.743 3.581 -7.401 1.00 0.00 C ATOM 763 CD GLU A 53 -5.653 4.598 -8.093 1.00 0.00 C ATOM 764 OE1 GLU A 53 -5.351 5.805 -7.971 1.00 0.00 O ATOM 765 OE2 GLU A 53 -6.630 4.145 -8.728 1.00 0.00 O ATOM 0 H GLU A 53 -3.696 1.665 -4.123 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.486 3.351 -6.147 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.384 3.660 -5.342 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.425 5.039 -5.842 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.785 3.533 -7.919 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.189 2.588 -7.462 1.00 0.00 H new ATOM 772 N TYR A 54 -2.146 5.149 -4.342 1.00 0.00 N ATOM 773 CA TYR A 54 -1.621 5.936 -3.239 1.00 0.00 C ATOM 774 C TYR A 54 -1.789 7.433 -3.506 1.00 0.00 C ATOM 775 O TYR A 54 -1.888 7.856 -4.657 1.00 0.00 O ATOM 776 CB TYR A 54 -0.129 5.609 -3.161 1.00 0.00 C ATOM 777 CG TYR A 54 0.715 6.286 -4.243 1.00 0.00 C ATOM 778 CD1 TYR A 54 0.895 5.669 -5.464 1.00 0.00 C ATOM 779 CD2 TYR A 54 1.295 7.514 -3.998 1.00 0.00 C ATOM 780 CE1 TYR A 54 1.689 6.306 -6.483 1.00 0.00 C ATOM 781 CE2 TYR A 54 2.089 8.151 -5.016 1.00 0.00 C ATOM 782 CZ TYR A 54 2.247 7.516 -6.208 1.00 0.00 C ATOM 783 OH TYR A 54 2.996 8.118 -7.170 1.00 0.00 O ATOM 0 H TYR A 54 -1.999 5.557 -5.265 1.00 0.00 H new ATOM 0 HA TYR A 54 -2.149 5.702 -2.315 1.00 0.00 H new ATOM 0 HB2 TYR A 54 0.247 5.907 -2.182 1.00 0.00 H new ATOM 0 HB3 TYR A 54 0.000 4.529 -3.237 1.00 0.00 H new ATOM 0 HD1 TYR A 54 0.440 4.708 -5.656 1.00 0.00 H new ATOM 0 HD2 TYR A 54 1.153 7.997 -3.043 1.00 0.00 H new ATOM 0 HE1 TYR A 54 1.838 5.834 -7.443 1.00 0.00 H new ATOM 0 HE2 TYR A 54 2.549 9.112 -4.837 1.00 0.00 H new ATOM 0 HH TYR A 54 3.330 8.976 -6.835 1.00 0.00 H new ATOM 793 N GLU A 55 -1.817 8.195 -2.422 1.00 0.00 N ATOM 794 CA GLU A 55 -1.972 9.636 -2.524 1.00 0.00 C ATOM 795 C GLU A 55 -0.769 10.345 -1.897 1.00 0.00 C ATOM 796 O GLU A 55 -0.340 9.993 -0.799 1.00 0.00 O ATOM 797 CB GLU A 55 -3.279 10.095 -1.874 1.00 0.00 C ATOM 798 CG GLU A 55 -3.260 9.839 -0.365 1.00 0.00 C ATOM 799 CD GLU A 55 -3.243 11.156 0.414 1.00 0.00 C ATOM 800 OE1 GLU A 55 -2.838 12.170 -0.194 1.00 0.00 O ATOM 801 OE2 GLU A 55 -3.635 11.118 1.600 1.00 0.00 O ATOM 0 H GLU A 55 -1.735 7.841 -1.469 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.017 9.903 -3.580 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -3.431 11.157 -2.064 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -4.119 9.567 -2.326 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -4.135 9.255 -0.080 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.383 9.246 -0.104 1.00 0.00 H new ATOM 808 N ASP A 56 -0.259 11.330 -2.622 1.00 0.00 N ATOM 809 CA ASP A 56 0.885 12.091 -2.150 1.00 0.00 C ATOM 810 C ASP A 56 0.403 13.206 -1.221 1.00 0.00 C ATOM 811 O ASP A 56 0.101 14.309 -1.673 1.00 0.00 O ATOM 812 CB ASP A 56 1.635 12.738 -3.317 1.00 0.00 C ATOM 813 CG ASP A 56 1.362 12.114 -4.686 1.00 0.00 C ATOM 814 OD1 ASP A 56 0.182 12.141 -5.098 1.00 0.00 O ATOM 815 OD2 ASP A 56 2.340 11.624 -5.291 1.00 0.00 O ATOM 0 H ASP A 56 -0.617 11.618 -3.533 1.00 0.00 H new ATOM 0 HA ASP A 56 1.553 11.406 -1.627 1.00 0.00 H new ATOM 0 HB2 ASP A 56 1.372 13.795 -3.357 1.00 0.00 H new ATOM 0 HB3 ASP A 56 2.705 12.684 -3.116 1.00 0.00 H new ATOM 820 N ALA A 57 0.346 12.880 0.062 1.00 0.00 N ATOM 821 CA ALA A 57 -0.094 13.840 1.060 1.00 0.00 C ATOM 822 C ALA A 57 1.033 14.838 1.334 1.00 0.00 C ATOM 823 O ALA A 57 0.829 15.838 2.019 1.00 0.00 O ATOM 824 CB ALA A 57 -0.536 13.098 2.323 1.00 0.00 C ATOM 0 H ALA A 57 0.597 11.964 0.433 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.953 14.405 0.697 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -0.866 13.818 3.072 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.358 12.424 2.080 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.301 12.522 2.718 1.00 0.00 H new ATOM 830 N MET A 58 2.199 14.530 0.784 1.00 0.00 N ATOM 831 CA MET A 58 3.359 15.387 0.960 1.00 0.00 C ATOM 832 C MET A 58 3.369 16.516 -0.072 1.00 0.00 C ATOM 833 O MET A 58 3.958 17.571 0.161 1.00 0.00 O ATOM 834 CB MET A 58 4.635 14.555 0.819 1.00 0.00 C ATOM 835 CG MET A 58 5.880 15.421 1.026 1.00 0.00 C ATOM 836 SD MET A 58 7.345 14.403 0.979 1.00 0.00 S ATOM 837 CE MET A 58 7.520 14.030 2.716 1.00 0.00 C ATOM 0 H MET A 58 2.365 13.699 0.216 1.00 0.00 H new ATOM 0 HA MET A 58 3.312 15.830 1.955 1.00 0.00 H new ATOM 0 HB2 MET A 58 4.627 13.744 1.547 1.00 0.00 H new ATOM 0 HB3 MET A 58 4.667 14.096 -0.169 1.00 0.00 H new ATOM 0 HG2 MET A 58 5.934 16.186 0.252 1.00 0.00 H new ATOM 0 HG3 MET A 58 5.818 15.939 1.983 1.00 0.00 H new ATOM 0 HE1 MET A 58 8.264 14.693 3.157 1.00 0.00 H new ATOM 0 HE2 MET A 58 6.563 14.174 3.217 1.00 0.00 H new ATOM 0 HE3 MET A 58 7.840 12.995 2.835 1.00 0.00 H new ATOM 847 N HIS A 59 2.709 16.257 -1.192 1.00 0.00 N ATOM 848 CA HIS A 59 2.634 17.238 -2.261 1.00 0.00 C ATOM 849 C HIS A 59 1.169 17.552 -2.568 1.00 0.00 C ATOM 850 O HIS A 59 0.664 18.608 -2.189 1.00 0.00 O ATOM 851 CB HIS A 59 3.409 16.761 -3.491 1.00 0.00 C ATOM 852 CG HIS A 59 4.885 16.559 -3.247 1.00 0.00 C ATOM 853 ND1 HIS A 59 5.461 15.306 -3.133 1.00 0.00 N ATOM 854 CD2 HIS A 59 5.896 17.463 -3.097 1.00 0.00 C ATOM 855 CE1 HIS A 59 6.761 15.460 -2.924 1.00 0.00 C ATOM 856 NE2 HIS A 59 7.028 16.798 -2.901 1.00 0.00 N ATOM 0 H HIS A 59 2.221 15.381 -1.382 1.00 0.00 H new ATOM 0 HA HIS A 59 3.109 18.166 -1.942 1.00 0.00 H new ATOM 0 HB2 HIS A 59 2.977 15.823 -3.838 1.00 0.00 H new ATOM 0 HB3 HIS A 59 3.280 17.488 -4.293 1.00 0.00 H new ATOM 0 HD2 HIS A 59 5.793 18.537 -3.132 1.00 0.00 H new ATOM 0 HE1 HIS A 59 7.482 14.666 -2.795 1.00 0.00 H new ATOM 0 HE2 HIS A 59 7.946 17.218 -2.757 1.00 0.00 H new ATOM 864 N LYS A 60 0.527 16.616 -3.251 1.00 0.00 N ATOM 865 CA LYS A 60 -0.871 16.779 -3.614 1.00 0.00 C ATOM 866 C LYS A 60 -1.708 15.722 -2.891 1.00 0.00 C ATOM 867 O LYS A 60 -1.812 14.586 -3.351 1.00 0.00 O ATOM 868 CB LYS A 60 -1.036 16.760 -5.135 1.00 0.00 C ATOM 869 CG LYS A 60 -0.412 18.004 -5.770 1.00 0.00 C ATOM 870 CD LYS A 60 -1.463 18.817 -6.529 1.00 0.00 C ATOM 871 CE LYS A 60 -1.571 18.352 -7.983 1.00 0.00 C ATOM 872 NZ LYS A 60 -0.741 19.205 -8.863 1.00 0.00 N ATOM 0 H LYS A 60 0.949 15.741 -3.563 1.00 0.00 H new ATOM 0 HA LYS A 60 -1.237 17.753 -3.289 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -0.568 15.865 -5.544 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -2.095 16.710 -5.389 1.00 0.00 H new ATOM 0 HG2 LYS A 60 0.043 18.623 -4.996 1.00 0.00 H new ATOM 0 HG3 LYS A 60 0.386 17.708 -6.451 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -2.431 18.715 -6.038 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -1.200 19.875 -6.500 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -1.249 17.314 -8.064 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -2.611 18.389 -8.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -0.826 18.876 -9.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -1.067 20.191 -8.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 0.253 19.149 -8.564 1.00 0.00 H new ATOM 886 N PRO A 61 -2.298 16.145 -1.740 1.00 0.00 N ATOM 887 CA PRO A 61 -3.122 15.247 -0.949 1.00 0.00 C ATOM 888 C PRO A 61 -4.485 15.029 -1.609 1.00 0.00 C ATOM 889 O PRO A 61 -5.186 15.989 -1.927 1.00 0.00 O ATOM 890 CB PRO A 61 -3.223 15.907 0.417 1.00 0.00 C ATOM 891 CG PRO A 61 -2.845 17.364 0.205 1.00 0.00 C ATOM 892 CD PRO A 61 -2.197 17.482 -1.165 1.00 0.00 C ATOM 0 HA PRO A 61 -2.694 14.248 -0.864 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -4.232 15.820 0.819 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -2.553 15.430 1.132 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -3.728 18.000 0.266 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -2.158 17.697 0.983 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -2.710 18.219 -1.783 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -1.158 17.801 -1.085 1.00 0.00 H new ATOM 900 N GLY A 62 -4.820 13.761 -1.796 1.00 0.00 N ATOM 901 CA GLY A 62 -6.087 13.405 -2.413 1.00 0.00 C ATOM 902 C GLY A 62 -5.877 12.892 -3.839 1.00 0.00 C ATOM 903 O GLY A 62 -6.741 12.213 -4.392 1.00 0.00 O ATOM 0 H GLY A 62 -4.236 12.967 -1.531 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.584 12.640 -1.817 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -6.745 14.274 -2.428 1.00 0.00 H new ATOM 907 N LEU A 63 -4.724 13.236 -4.394 1.00 0.00 N ATOM 908 CA LEU A 63 -4.390 12.819 -5.746 1.00 0.00 C ATOM 909 C LEU A 63 -3.894 11.372 -5.720 1.00 0.00 C ATOM 910 O LEU A 63 -2.745 11.112 -5.368 1.00 0.00 O ATOM 911 CB LEU A 63 -3.399 13.798 -6.379 1.00 0.00 C ATOM 912 CG LEU A 63 -3.322 13.781 -7.907 1.00 0.00 C ATOM 913 CD1 LEU A 63 -4.649 14.222 -8.527 1.00 0.00 C ATOM 914 CD2 LEU A 63 -2.148 14.624 -8.406 1.00 0.00 C ATOM 0 H LEU A 63 -4.009 13.799 -3.932 1.00 0.00 H new ATOM 0 HA LEU A 63 -5.275 12.842 -6.382 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -3.661 14.807 -6.060 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.406 13.586 -5.983 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.141 12.755 -8.229 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.568 14.201 -9.614 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.442 13.545 -8.209 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.884 15.235 -8.200 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.116 14.595 -9.495 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.273 15.655 -8.074 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.217 14.224 -8.005 1.00 0.00 H new ATOM 926 N TRP A 64 -4.786 10.468 -6.098 1.00 0.00 N ATOM 927 CA TRP A 64 -4.453 9.054 -6.124 1.00 0.00 C ATOM 928 C TRP A 64 -3.889 8.725 -7.507 1.00 0.00 C ATOM 929 O TRP A 64 -4.373 9.236 -8.516 1.00 0.00 O ATOM 930 CB TRP A 64 -5.667 8.199 -5.754 1.00 0.00 C ATOM 931 CG TRP A 64 -6.259 8.519 -4.381 1.00 0.00 C ATOM 932 CD1 TRP A 64 -7.278 9.340 -4.092 1.00 0.00 C ATOM 933 CD2 TRP A 64 -5.824 7.987 -3.111 1.00 0.00 C ATOM 934 NE1 TRP A 64 -7.531 9.376 -2.736 1.00 0.00 N ATOM 935 CE2 TRP A 64 -6.618 8.527 -2.121 1.00 0.00 C ATOM 936 CE3 TRP A 64 -4.794 7.079 -2.811 1.00 0.00 C ATOM 937 CZ2 TRP A 64 -6.465 8.220 -0.763 1.00 0.00 C ATOM 938 CZ3 TRP A 64 -4.653 6.783 -1.450 1.00 0.00 C ATOM 939 CH2 TRP A 64 -5.445 7.318 -0.440 1.00 0.00 C ATOM 0 H TRP A 64 -5.739 10.687 -6.389 1.00 0.00 H new ATOM 0 HA TRP A 64 -3.695 8.823 -5.376 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -6.439 8.335 -6.512 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -5.379 7.148 -5.778 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -7.832 9.903 -4.828 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -8.254 9.924 -2.271 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -4.161 6.644 -3.570 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -7.100 8.656 -0.006 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -3.875 6.091 -1.165 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -5.274 7.039 0.589 1.00 0.00 H new ATOM 950 N HIS A 65 -2.873 7.875 -7.510 1.00 0.00 N ATOM 951 CA HIS A 65 -2.238 7.472 -8.753 1.00 0.00 C ATOM 952 C HIS A 65 -2.232 5.946 -8.856 1.00 0.00 C ATOM 953 O HIS A 65 -2.361 5.252 -7.849 1.00 0.00 O ATOM 954 CB HIS A 65 -0.838 8.079 -8.869 1.00 0.00 C ATOM 955 CG HIS A 65 -0.819 9.589 -8.844 1.00 0.00 C ATOM 956 ND1 HIS A 65 -1.061 10.361 -9.968 1.00 0.00 N ATOM 957 CD2 HIS A 65 -0.586 10.461 -7.821 1.00 0.00 C ATOM 958 CE1 HIS A 65 -0.974 11.637 -9.625 1.00 0.00 C ATOM 959 NE2 HIS A 65 -0.679 11.697 -8.294 1.00 0.00 N ATOM 0 H HIS A 65 -2.474 7.454 -6.671 1.00 0.00 H new ATOM 0 HA HIS A 65 -2.809 7.856 -9.598 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -0.222 7.705 -8.051 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -0.380 7.735 -9.796 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -1.271 10.007 -10.901 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -0.364 10.191 -6.799 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -1.112 12.482 -10.283 1.00 0.00 H new ATOM 967 N HIS A 66 -2.082 5.468 -10.082 1.00 0.00 N ATOM 968 CA HIS A 66 -2.058 4.036 -10.330 1.00 0.00 C ATOM 969 C HIS A 66 -0.732 3.453 -9.839 1.00 0.00 C ATOM 970 O HIS A 66 0.320 3.720 -10.418 1.00 0.00 O ATOM 971 CB HIS A 66 -2.328 3.735 -11.806 1.00 0.00 C ATOM 972 CG HIS A 66 -2.973 2.392 -12.051 1.00 0.00 C ATOM 973 ND1 HIS A 66 -2.471 1.213 -11.527 1.00 0.00 N ATOM 974 CD2 HIS A 66 -4.083 2.053 -12.767 1.00 0.00 C ATOM 975 CE1 HIS A 66 -3.251 0.216 -11.918 1.00 0.00 C ATOM 976 NE2 HIS A 66 -4.249 0.739 -12.687 1.00 0.00 N ATOM 0 H HIS A 66 -1.976 6.047 -10.915 1.00 0.00 H new ATOM 0 HA HIS A 66 -2.858 3.553 -9.769 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -2.971 4.515 -12.214 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -1.387 3.780 -12.353 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -4.719 2.738 -13.308 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -3.120 -0.827 -11.671 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -4.999 0.207 -13.128 1.00 0.00 H new ATOM 984 N GLN A 67 -0.826 2.667 -8.776 1.00 0.00 N ATOM 985 CA GLN A 67 0.354 2.043 -8.201 1.00 0.00 C ATOM 986 C GLN A 67 0.646 0.714 -8.900 1.00 0.00 C ATOM 987 O GLN A 67 1.590 0.614 -9.682 1.00 0.00 O ATOM 988 CB GLN A 67 0.188 1.844 -6.693 1.00 0.00 C ATOM 989 CG GLN A 67 1.420 1.165 -6.091 1.00 0.00 C ATOM 990 CD GLN A 67 2.129 2.094 -5.102 1.00 0.00 C ATOM 991 OE1 GLN A 67 2.615 3.158 -5.449 1.00 0.00 O ATOM 992 NE2 GLN A 67 2.161 1.632 -3.855 1.00 0.00 N ATOM 0 H GLN A 67 -1.700 2.448 -8.298 1.00 0.00 H new ATOM 0 HA GLN A 67 1.204 2.707 -8.356 1.00 0.00 H new ATOM 0 HB2 GLN A 67 0.028 2.808 -6.211 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.697 1.239 -6.498 1.00 0.00 H new ATOM 0 HG2 GLN A 67 1.123 0.247 -5.584 1.00 0.00 H new ATOM 0 HG3 GLN A 67 2.109 0.881 -6.887 1.00 0.00 H new ATOM 0 HE21 GLN A 67 1.734 0.732 -3.633 1.00 0.00 H new ATOM 0 HE22 GLN A 67 2.612 2.177 -3.121 1.00 0.00 H new ATOM 1001 N THR A 68 -0.181 -0.274 -8.593 1.00 0.00 N ATOM 1002 CA THR A 68 -0.023 -1.593 -9.183 1.00 0.00 C ATOM 1003 C THR A 68 -1.218 -2.481 -8.830 1.00 0.00 C ATOM 1004 O THR A 68 -1.930 -2.216 -7.863 1.00 0.00 O ATOM 1005 CB THR A 68 1.317 -2.163 -8.714 1.00 0.00 C ATOM 1006 OG1 THR A 68 1.466 -3.363 -9.467 1.00 0.00 O ATOM 1007 CG2 THR A 68 1.275 -2.638 -7.260 1.00 0.00 C ATOM 0 H THR A 68 -0.963 -0.188 -7.943 1.00 0.00 H new ATOM 0 HA THR A 68 -0.007 -1.540 -10.272 1.00 0.00 H new ATOM 0 HB THR A 68 2.093 -1.405 -8.826 1.00 0.00 H new ATOM 0 HG1 THR A 68 2.311 -3.797 -9.227 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.251 -3.033 -6.978 1.00 0.00 H new ATOM 0 HG22 THR A 68 1.021 -1.800 -6.611 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.523 -3.420 -7.154 1.00 0.00 H new ATOM 1015 N GLU A 69 -1.401 -3.518 -9.634 1.00 0.00 N ATOM 1016 CA GLU A 69 -2.498 -4.447 -9.419 1.00 0.00 C ATOM 1017 C GLU A 69 -1.975 -5.885 -9.380 1.00 0.00 C ATOM 1018 O GLU A 69 -0.880 -6.165 -9.866 1.00 0.00 O ATOM 1019 CB GLU A 69 -3.574 -4.284 -10.495 1.00 0.00 C ATOM 1020 CG GLU A 69 -2.994 -4.522 -11.891 1.00 0.00 C ATOM 1021 CD GLU A 69 -2.664 -6.001 -12.102 1.00 0.00 C ATOM 1022 OE1 GLU A 69 -3.464 -6.835 -11.626 1.00 0.00 O ATOM 1023 OE2 GLU A 69 -1.619 -6.264 -12.735 1.00 0.00 O ATOM 0 H GLU A 69 -0.808 -3.736 -10.435 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.957 -4.221 -8.456 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.387 -4.986 -10.311 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.999 -3.282 -10.440 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.708 -4.194 -12.646 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.093 -3.922 -12.022 1.00 0.00 H new ATOM 1030 N VAL A 70 -2.783 -6.759 -8.798 1.00 0.00 N ATOM 1031 CA VAL A 70 -2.416 -8.160 -8.689 1.00 0.00 C ATOM 1032 C VAL A 70 -3.638 -9.028 -8.997 1.00 0.00 C ATOM 1033 O VAL A 70 -4.695 -8.513 -9.359 1.00 0.00 O ATOM 1034 CB VAL A 70 -1.817 -8.439 -7.309 1.00 0.00 C ATOM 1035 CG1 VAL A 70 -0.296 -8.585 -7.391 1.00 0.00 C ATOM 1036 CG2 VAL A 70 -2.210 -7.349 -6.311 1.00 0.00 C ATOM 0 H VAL A 70 -3.691 -6.524 -8.397 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.646 -8.411 -9.419 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.225 -9.384 -6.951 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.105 -8.783 -6.397 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -0.045 -9.413 -8.055 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.137 -7.664 -7.780 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.771 -7.571 -5.338 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.844 -6.385 -6.663 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.296 -7.313 -6.220 1.00 0.00 H new ATOM 1046 N SER A 71 -3.453 -10.331 -8.841 1.00 0.00 N ATOM 1047 CA SER A 71 -4.527 -11.275 -9.098 1.00 0.00 C ATOM 1048 C SER A 71 -5.471 -11.335 -7.895 1.00 0.00 C ATOM 1049 O SER A 71 -5.122 -10.882 -6.805 1.00 0.00 O ATOM 1050 CB SER A 71 -3.974 -12.668 -9.407 1.00 0.00 C ATOM 1051 OG SER A 71 -4.133 -13.012 -10.781 1.00 0.00 O ATOM 0 H SER A 71 -2.575 -10.755 -8.540 1.00 0.00 H new ATOM 0 HA SER A 71 -5.082 -10.931 -9.971 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.917 -12.705 -9.144 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.483 -13.406 -8.787 1.00 0.00 H new ATOM 0 HG SER A 71 -3.766 -13.907 -10.939 1.00 0.00 H new ATOM 1057 N GLY A 72 -6.647 -11.897 -8.132 1.00 0.00 N ATOM 1058 CA GLY A 72 -7.643 -12.021 -7.082 1.00 0.00 C ATOM 1059 C GLY A 72 -7.370 -13.247 -6.209 1.00 0.00 C ATOM 1060 O GLY A 72 -8.156 -13.569 -5.320 1.00 0.00 O ATOM 0 H GLY A 72 -6.932 -12.272 -9.037 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -7.640 -11.123 -6.465 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -8.636 -12.099 -7.525 1.00 0.00 H new ATOM 1064 N THR A 73 -6.252 -13.899 -6.494 1.00 0.00 N ATOM 1065 CA THR A 73 -5.865 -15.083 -5.746 1.00 0.00 C ATOM 1066 C THR A 73 -4.883 -14.714 -4.632 1.00 0.00 C ATOM 1067 O THR A 73 -4.741 -15.449 -3.656 1.00 0.00 O ATOM 1068 CB THR A 73 -5.303 -16.105 -6.737 1.00 0.00 C ATOM 1069 OG1 THR A 73 -3.962 -15.675 -6.956 1.00 0.00 O ATOM 1070 CG2 THR A 73 -5.956 -16.004 -8.117 1.00 0.00 C ATOM 0 H THR A 73 -5.602 -13.630 -7.233 1.00 0.00 H new ATOM 0 HA THR A 73 -6.723 -15.531 -5.244 1.00 0.00 H new ATOM 0 HB THR A 73 -5.446 -17.110 -6.341 1.00 0.00 H new ATOM 0 HG1 THR A 73 -3.522 -16.283 -7.586 1.00 0.00 H new ATOM 0 HG21 THR A 73 -5.521 -16.751 -8.781 1.00 0.00 H new ATOM 0 HG22 THR A 73 -7.028 -16.180 -8.026 1.00 0.00 H new ATOM 0 HG23 THR A 73 -5.785 -15.009 -8.528 1.00 0.00 H new ATOM 1078 N GLN A 74 -4.232 -13.575 -4.815 1.00 0.00 N ATOM 1079 CA GLN A 74 -3.268 -13.099 -3.837 1.00 0.00 C ATOM 1080 C GLN A 74 -3.862 -11.946 -3.025 1.00 0.00 C ATOM 1081 O GLN A 74 -4.918 -11.418 -3.369 1.00 0.00 O ATOM 1082 CB GLN A 74 -1.963 -12.677 -4.515 1.00 0.00 C ATOM 1083 CG GLN A 74 -2.094 -11.287 -5.141 1.00 0.00 C ATOM 1084 CD GLN A 74 -0.768 -10.528 -5.074 1.00 0.00 C ATOM 1085 OE1 GLN A 74 0.246 -10.949 -5.607 1.00 0.00 O ATOM 1086 NE2 GLN A 74 -0.830 -9.388 -4.392 1.00 0.00 N ATOM 0 H GLN A 74 -4.353 -12.968 -5.626 1.00 0.00 H new ATOM 0 HA GLN A 74 -3.037 -13.917 -3.155 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -1.154 -12.676 -3.785 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -1.698 -13.402 -5.284 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -2.411 -11.381 -6.180 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -2.867 -10.722 -4.621 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -1.711 -9.093 -3.970 1.00 0.00 H new ATOM 0 HE22 GLN A 74 0.003 -8.808 -4.291 1.00 0.00 H new ATOM 1095 N THR A 75 -3.156 -11.589 -1.962 1.00 0.00 N ATOM 1096 CA THR A 75 -3.600 -10.509 -1.097 1.00 0.00 C ATOM 1097 C THR A 75 -2.397 -9.761 -0.518 1.00 0.00 C ATOM 1098 O THR A 75 -2.517 -9.077 0.497 1.00 0.00 O ATOM 1099 CB THR A 75 -4.517 -11.105 -0.028 1.00 0.00 C ATOM 1100 OG1 THR A 75 -3.949 -12.383 0.243 1.00 0.00 O ATOM 1101 CG2 THR A 75 -5.913 -11.424 -0.566 1.00 0.00 C ATOM 0 H THR A 75 -2.280 -12.028 -1.680 1.00 0.00 H new ATOM 0 HA THR A 75 -4.169 -9.765 -1.654 1.00 0.00 H new ATOM 0 HB THR A 75 -4.600 -10.410 0.807 1.00 0.00 H new ATOM 0 HG1 THR A 75 -4.481 -12.839 0.928 1.00 0.00 H new ATOM 0 HG21 THR A 75 -6.524 -11.845 0.233 1.00 0.00 H new ATOM 0 HG22 THR A 75 -6.378 -10.510 -0.935 1.00 0.00 H new ATOM 0 HG23 THR A 75 -5.833 -12.145 -1.380 1.00 0.00 H new ATOM 1109 N THR A 76 -1.265 -9.916 -1.189 1.00 0.00 N ATOM 1110 CA THR A 76 -0.042 -9.264 -0.754 1.00 0.00 C ATOM 1111 C THR A 76 0.782 -8.815 -1.962 1.00 0.00 C ATOM 1112 O THR A 76 1.104 -9.623 -2.833 1.00 0.00 O ATOM 1113 CB THR A 76 0.706 -10.230 0.167 1.00 0.00 C ATOM 1114 OG1 THR A 76 0.530 -11.503 -0.448 1.00 0.00 O ATOM 1115 CG2 THR A 76 0.031 -10.379 1.532 1.00 0.00 C ATOM 0 H THR A 76 -1.169 -10.484 -2.031 1.00 0.00 H new ATOM 0 HA THR A 76 -0.256 -8.355 -0.191 1.00 0.00 H new ATOM 0 HB THR A 76 1.729 -9.881 0.304 1.00 0.00 H new ATOM 0 HG1 THR A 76 0.668 -11.421 -1.415 1.00 0.00 H new ATOM 0 HG21 THR A 76 0.602 -11.075 2.146 1.00 0.00 H new ATOM 0 HG22 THR A 76 -0.009 -9.408 2.026 1.00 0.00 H new ATOM 0 HG23 THR A 76 -0.981 -10.760 1.398 1.00 0.00 H new ATOM 1123 N ALA A 77 1.100 -7.529 -1.977 1.00 0.00 N ATOM 1124 CA ALA A 77 1.880 -6.963 -3.064 1.00 0.00 C ATOM 1125 C ALA A 77 2.996 -6.090 -2.485 1.00 0.00 C ATOM 1126 O ALA A 77 2.851 -5.532 -1.399 1.00 0.00 O ATOM 1127 CB ALA A 77 0.958 -6.184 -4.003 1.00 0.00 C ATOM 0 H ALA A 77 0.831 -6.863 -1.253 1.00 0.00 H new ATOM 0 HA ALA A 77 2.350 -7.753 -3.650 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.544 -5.759 -4.818 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.202 -6.855 -4.410 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.470 -5.381 -3.450 1.00 0.00 H new ATOM 1133 N GLN A 78 4.083 -6.000 -3.236 1.00 0.00 N ATOM 1134 CA GLN A 78 5.222 -5.204 -2.811 1.00 0.00 C ATOM 1135 C GLN A 78 5.033 -3.743 -3.224 1.00 0.00 C ATOM 1136 O GLN A 78 4.719 -3.457 -4.379 1.00 0.00 O ATOM 1137 CB GLN A 78 6.527 -5.770 -3.376 1.00 0.00 C ATOM 1138 CG GLN A 78 7.166 -6.757 -2.397 1.00 0.00 C ATOM 1139 CD GLN A 78 8.030 -7.781 -3.137 1.00 0.00 C ATOM 1140 OE1 GLN A 78 9.248 -7.753 -3.089 1.00 0.00 O ATOM 1141 NE2 GLN A 78 7.332 -8.683 -3.822 1.00 0.00 N ATOM 0 H GLN A 78 4.200 -6.465 -4.136 1.00 0.00 H new ATOM 0 HA GLN A 78 5.286 -5.248 -1.724 1.00 0.00 H new ATOM 0 HB2 GLN A 78 6.330 -6.269 -4.325 1.00 0.00 H new ATOM 0 HB3 GLN A 78 7.222 -4.956 -3.582 1.00 0.00 H new ATOM 0 HG2 GLN A 78 7.776 -6.215 -1.675 1.00 0.00 H new ATOM 0 HG3 GLN A 78 6.388 -7.272 -1.834 1.00 0.00 H new ATOM 0 HE21 GLN A 78 6.313 -8.649 -3.819 1.00 0.00 H new ATOM 0 HE22 GLN A 78 7.816 -9.409 -4.350 1.00 0.00 H new ATOM 1150 N LEU A 79 5.233 -2.858 -2.259 1.00 0.00 N ATOM 1151 CA LEU A 79 5.088 -1.434 -2.508 1.00 0.00 C ATOM 1152 C LEU A 79 6.470 -0.777 -2.502 1.00 0.00 C ATOM 1153 O LEU A 79 7.260 -0.994 -1.585 1.00 0.00 O ATOM 1154 CB LEU A 79 4.107 -0.813 -1.512 1.00 0.00 C ATOM 1155 CG LEU A 79 2.697 -1.407 -1.500 1.00 0.00 C ATOM 1156 CD1 LEU A 79 1.676 -0.385 -0.997 1.00 0.00 C ATOM 1157 CD2 LEU A 79 2.324 -1.961 -2.876 1.00 0.00 C ATOM 0 H LEU A 79 5.494 -3.099 -1.303 1.00 0.00 H new ATOM 0 HA LEU A 79 4.657 -1.261 -3.494 1.00 0.00 H new ATOM 0 HB2 LEU A 79 4.528 -0.907 -0.511 1.00 0.00 H new ATOM 0 HB3 LEU A 79 4.029 0.253 -1.726 1.00 0.00 H new ATOM 0 HG LEU A 79 2.685 -2.244 -0.802 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.682 -0.833 -0.998 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.935 -0.080 0.017 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.682 0.487 -1.651 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.317 -2.377 -2.840 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.359 -1.159 -3.613 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.030 -2.743 -3.157 1.00 0.00 H new ATOM 1169 N ASN A 80 6.718 0.014 -3.536 1.00 0.00 N ATOM 1170 CA ASN A 80 7.991 0.705 -3.661 1.00 0.00 C ATOM 1171 C ASN A 80 7.882 2.086 -3.013 1.00 0.00 C ATOM 1172 O ASN A 80 7.211 2.972 -3.540 1.00 0.00 O ATOM 1173 CB ASN A 80 8.369 0.900 -5.130 1.00 0.00 C ATOM 1174 CG ASN A 80 9.354 -0.177 -5.591 1.00 0.00 C ATOM 1175 OD1 ASN A 80 10.332 -0.484 -4.930 1.00 0.00 O ATOM 1176 ND2 ASN A 80 9.041 -0.731 -6.759 1.00 0.00 N ATOM 0 H ASN A 80 6.060 0.192 -4.295 1.00 0.00 H new ATOM 0 HA ASN A 80 8.753 0.100 -3.170 1.00 0.00 H new ATOM 0 HB2 ASN A 80 7.472 0.865 -5.748 1.00 0.00 H new ATOM 0 HB3 ASN A 80 8.813 1.886 -5.267 1.00 0.00 H new ATOM 0 HD21 ASN A 80 9.635 -1.460 -7.153 1.00 0.00 H new ATOM 0 HD22 ASN A 80 8.207 -0.427 -7.261 1.00 0.00 H new ATOM 1183 N LEU A 81 8.553 2.227 -1.879 1.00 0.00 N ATOM 1184 CA LEU A 81 8.540 3.486 -1.153 1.00 0.00 C ATOM 1185 C LEU A 81 9.863 4.218 -1.387 1.00 0.00 C ATOM 1186 O LEU A 81 10.903 3.585 -1.567 1.00 0.00 O ATOM 1187 CB LEU A 81 8.221 3.250 0.325 1.00 0.00 C ATOM 1188 CG LEU A 81 6.924 2.492 0.618 1.00 0.00 C ATOM 1189 CD1 LEU A 81 6.453 2.745 2.051 1.00 0.00 C ATOM 1190 CD2 LEU A 81 5.843 2.837 -0.409 1.00 0.00 C ATOM 0 H LEU A 81 9.109 1.490 -1.445 1.00 0.00 H new ATOM 0 HA LEU A 81 7.746 4.133 -1.527 1.00 0.00 H new ATOM 0 HB2 LEU A 81 9.049 2.700 0.772 1.00 0.00 H new ATOM 0 HB3 LEU A 81 8.174 4.217 0.825 1.00 0.00 H new ATOM 0 HG LEU A 81 7.125 1.424 0.528 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.530 2.195 2.233 1.00 0.00 H new ATOM 0 HD12 LEU A 81 7.219 2.410 2.750 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.274 3.811 2.192 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.932 2.285 -0.178 1.00 0.00 H new ATOM 0 HD22 LEU A 81 5.637 3.907 -0.375 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.189 2.565 -1.406 1.00 0.00 H new ATOM 1202 N SER A 82 9.781 5.540 -1.376 1.00 0.00 N ATOM 1203 CA SER A 82 10.959 6.364 -1.584 1.00 0.00 C ATOM 1204 C SER A 82 11.156 7.307 -0.395 1.00 0.00 C ATOM 1205 O SER A 82 10.215 7.576 0.351 1.00 0.00 O ATOM 1206 CB SER A 82 10.848 7.165 -2.883 1.00 0.00 C ATOM 1207 OG SER A 82 11.296 6.418 -4.011 1.00 0.00 O ATOM 0 H SER A 82 8.917 6.061 -1.226 1.00 0.00 H new ATOM 0 HA SER A 82 11.825 5.707 -1.666 1.00 0.00 H new ATOM 0 HB2 SER A 82 9.812 7.466 -3.036 1.00 0.00 H new ATOM 0 HB3 SER A 82 11.436 8.079 -2.797 1.00 0.00 H new ATOM 0 HG SER A 82 11.208 6.963 -4.821 1.00 0.00 H new ATOM 1213 N PRO A 83 12.417 7.795 -0.251 1.00 0.00 N ATOM 1214 CA PRO A 83 12.749 8.701 0.835 1.00 0.00 C ATOM 1215 C PRO A 83 12.200 10.104 0.566 1.00 0.00 C ATOM 1216 O PRO A 83 12.273 10.598 -0.558 1.00 0.00 O ATOM 1217 CB PRO A 83 14.266 8.665 0.928 1.00 0.00 C ATOM 1218 CG PRO A 83 14.752 8.106 -0.399 1.00 0.00 C ATOM 1219 CD PRO A 83 13.556 7.498 -1.114 1.00 0.00 C ATOM 0 HA PRO A 83 12.298 8.405 1.782 1.00 0.00 H new ATOM 0 HB2 PRO A 83 14.670 9.662 1.103 1.00 0.00 H new ATOM 0 HB3 PRO A 83 14.592 8.038 1.758 1.00 0.00 H new ATOM 0 HG2 PRO A 83 15.199 8.894 -1.005 1.00 0.00 H new ATOM 0 HG3 PRO A 83 15.523 7.353 -0.237 1.00 0.00 H new ATOM 0 HD2 PRO A 83 13.425 7.932 -2.105 1.00 0.00 H new ATOM 0 HD3 PRO A 83 13.680 6.424 -1.250 1.00 0.00 H new ATOM 1227 N TYR A 84 11.663 10.706 1.617 1.00 0.00 N ATOM 1228 CA TYR A 84 11.101 12.041 1.509 1.00 0.00 C ATOM 1229 C TYR A 84 9.808 12.028 0.691 1.00 0.00 C ATOM 1230 O TYR A 84 9.618 12.866 -0.190 1.00 0.00 O ATOM 1231 CB TYR A 84 12.148 12.880 0.772 1.00 0.00 C ATOM 1232 CG TYR A 84 13.593 12.499 1.099 1.00 0.00 C ATOM 1233 CD1 TYR A 84 14.063 12.618 2.391 1.00 0.00 C ATOM 1234 CD2 TYR A 84 14.427 12.036 0.102 1.00 0.00 C ATOM 1235 CE1 TYR A 84 15.423 12.259 2.699 1.00 0.00 C ATOM 1236 CE2 TYR A 84 15.787 11.677 0.409 1.00 0.00 C ATOM 1237 CZ TYR A 84 16.218 11.807 1.693 1.00 0.00 C ATOM 1238 OH TYR A 84 17.503 11.468 1.983 1.00 0.00 O ATOM 0 H TYR A 84 11.605 10.293 2.548 1.00 0.00 H new ATOM 0 HA TYR A 84 10.864 12.439 2.496 1.00 0.00 H new ATOM 0 HB2 TYR A 84 11.990 12.778 -0.302 1.00 0.00 H new ATOM 0 HB3 TYR A 84 11.996 13.931 1.018 1.00 0.00 H new ATOM 0 HD1 TYR A 84 13.410 12.981 3.171 1.00 0.00 H new ATOM 0 HD2 TYR A 84 14.059 11.943 -0.909 1.00 0.00 H new ATOM 0 HE1 TYR A 84 15.803 12.347 3.706 1.00 0.00 H new ATOM 0 HE2 TYR A 84 16.450 11.313 -0.362 1.00 0.00 H new ATOM 0 HH TYR A 84 17.952 11.161 1.168 1.00 0.00 H new ATOM 1248 N VAL A 85 8.953 11.068 1.011 1.00 0.00 N ATOM 1249 CA VAL A 85 7.684 10.934 0.317 1.00 0.00 C ATOM 1250 C VAL A 85 6.648 10.333 1.269 1.00 0.00 C ATOM 1251 O VAL A 85 6.807 9.204 1.732 1.00 0.00 O ATOM 1252 CB VAL A 85 7.869 10.113 -0.960 1.00 0.00 C ATOM 1253 CG1 VAL A 85 6.859 10.529 -2.031 1.00 0.00 C ATOM 1254 CG2 VAL A 85 9.302 10.230 -1.483 1.00 0.00 C ATOM 0 H VAL A 85 9.114 10.375 1.742 1.00 0.00 H new ATOM 0 HA VAL A 85 7.314 11.911 0.008 1.00 0.00 H new ATOM 0 HB VAL A 85 7.685 9.067 -0.715 1.00 0.00 H new ATOM 0 HG11 VAL A 85 7.013 9.930 -2.928 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.847 10.371 -1.658 1.00 0.00 H new ATOM 0 HG13 VAL A 85 6.997 11.583 -2.271 1.00 0.00 H new ATOM 0 HG21 VAL A 85 9.407 9.637 -2.392 1.00 0.00 H new ATOM 0 HG22 VAL A 85 9.525 11.274 -1.703 1.00 0.00 H new ATOM 0 HG23 VAL A 85 9.996 9.862 -0.727 1.00 0.00 H new ATOM 1264 N ASN A 86 5.610 11.113 1.534 1.00 0.00 N ATOM 1265 CA ASN A 86 4.549 10.671 2.422 1.00 0.00 C ATOM 1266 C ASN A 86 3.277 10.424 1.607 1.00 0.00 C ATOM 1267 O ASN A 86 2.935 11.215 0.729 1.00 0.00 O ATOM 1268 CB ASN A 86 4.235 11.734 3.477 1.00 0.00 C ATOM 1269 CG ASN A 86 4.004 11.095 4.848 1.00 0.00 C ATOM 1270 OD1 ASN A 86 4.308 9.937 5.080 1.00 0.00 O ATOM 1271 ND2 ASN A 86 3.452 11.913 5.739 1.00 0.00 N ATOM 0 H ASN A 86 5.482 12.049 1.149 1.00 0.00 H new ATOM 0 HA ASN A 86 4.882 9.759 2.917 1.00 0.00 H new ATOM 0 HB2 ASN A 86 5.058 12.446 3.538 1.00 0.00 H new ATOM 0 HB3 ASN A 86 3.349 12.296 3.180 1.00 0.00 H new ATOM 0 HD21 ASN A 86 3.258 11.582 6.684 1.00 0.00 H new ATOM 0 HD22 ASN A 86 3.222 12.872 5.478 1.00 0.00 H new ATOM 1278 N TYR A 87 2.612 9.324 1.927 1.00 0.00 N ATOM 1279 CA TYR A 87 1.386 8.963 1.236 1.00 0.00 C ATOM 1280 C TYR A 87 0.762 7.707 1.846 1.00 0.00 C ATOM 1281 O TYR A 87 1.369 7.059 2.698 1.00 0.00 O ATOM 1282 CB TYR A 87 1.789 8.667 -0.210 1.00 0.00 C ATOM 1283 CG TYR A 87 3.148 7.978 -0.349 1.00 0.00 C ATOM 1284 CD1 TYR A 87 3.422 6.838 0.379 1.00 0.00 C ATOM 1285 CD2 TYR A 87 4.101 8.498 -1.202 1.00 0.00 C ATOM 1286 CE1 TYR A 87 4.701 6.190 0.248 1.00 0.00 C ATOM 1287 CE2 TYR A 87 5.380 7.850 -1.332 1.00 0.00 C ATOM 1288 CZ TYR A 87 5.617 6.728 -0.601 1.00 0.00 C ATOM 1289 OH TYR A 87 6.826 6.116 -0.724 1.00 0.00 O ATOM 0 H TYR A 87 2.899 8.671 2.656 1.00 0.00 H new ATOM 0 HA TYR A 87 0.653 9.766 1.310 1.00 0.00 H new ATOM 0 HB2 TYR A 87 1.026 8.038 -0.667 1.00 0.00 H new ATOM 0 HB3 TYR A 87 1.808 9.602 -0.770 1.00 0.00 H new ATOM 0 HD1 TYR A 87 2.677 6.432 1.047 1.00 0.00 H new ATOM 0 HD2 TYR A 87 3.887 9.390 -1.771 1.00 0.00 H new ATOM 0 HE1 TYR A 87 4.928 5.297 0.811 1.00 0.00 H new ATOM 0 HE2 TYR A 87 6.135 8.246 -1.995 1.00 0.00 H new ATOM 0 HH TYR A 87 7.399 6.369 0.029 1.00 0.00 H new ATOM 1299 N SER A 88 -0.442 7.400 1.387 1.00 0.00 N ATOM 1300 CA SER A 88 -1.155 6.233 1.878 1.00 0.00 C ATOM 1301 C SER A 88 -1.235 5.169 0.781 1.00 0.00 C ATOM 1302 O SER A 88 -0.724 5.368 -0.320 1.00 0.00 O ATOM 1303 CB SER A 88 -2.559 6.606 2.358 1.00 0.00 C ATOM 1304 OG SER A 88 -3.574 6.016 1.551 1.00 0.00 O ATOM 0 H SER A 88 -0.942 7.939 0.680 1.00 0.00 H new ATOM 0 HA SER A 88 -0.605 5.830 2.728 1.00 0.00 H new ATOM 0 HB2 SER A 88 -2.686 6.285 3.392 1.00 0.00 H new ATOM 0 HB3 SER A 88 -2.670 7.690 2.345 1.00 0.00 H new ATOM 0 HG SER A 88 -3.672 6.529 0.721 1.00 0.00 H new ATOM 1310 N PHE A 89 -1.880 4.063 1.119 1.00 0.00 N ATOM 1311 CA PHE A 89 -2.033 2.968 0.177 1.00 0.00 C ATOM 1312 C PHE A 89 -3.457 2.407 0.214 1.00 0.00 C ATOM 1313 O PHE A 89 -3.929 1.973 1.263 1.00 0.00 O ATOM 1314 CB PHE A 89 -1.055 1.871 0.602 1.00 0.00 C ATOM 1315 CG PHE A 89 0.386 2.355 0.774 1.00 0.00 C ATOM 1316 CD1 PHE A 89 1.113 2.727 -0.314 1.00 0.00 C ATOM 1317 CD2 PHE A 89 0.940 2.414 2.014 1.00 0.00 C ATOM 1318 CE1 PHE A 89 2.450 3.176 -0.155 1.00 0.00 C ATOM 1319 CE2 PHE A 89 2.278 2.863 2.174 1.00 0.00 C ATOM 1320 CZ PHE A 89 3.005 3.235 1.086 1.00 0.00 C ATOM 0 H PHE A 89 -2.303 3.901 2.033 1.00 0.00 H new ATOM 0 HA PHE A 89 -1.835 3.319 -0.836 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -1.397 1.438 1.542 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.074 1.074 -0.141 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.673 2.681 -1.299 1.00 0.00 H new ATOM 0 HD2 PHE A 89 0.363 2.119 2.878 1.00 0.00 H new ATOM 0 HE1 PHE A 89 3.027 3.471 -1.019 1.00 0.00 H new ATOM 0 HE2 PHE A 89 2.718 2.909 3.159 1.00 0.00 H new ATOM 0 HZ PHE A 89 4.022 3.577 1.207 1.00 0.00 H new ATOM 1330 N ARG A 90 -4.100 2.435 -0.944 1.00 0.00 N ATOM 1331 CA ARG A 90 -5.460 1.935 -1.057 1.00 0.00 C ATOM 1332 C ARG A 90 -5.502 0.716 -1.980 1.00 0.00 C ATOM 1333 O ARG A 90 -4.835 0.691 -3.013 1.00 0.00 O ATOM 1334 CB ARG A 90 -6.399 3.013 -1.604 1.00 0.00 C ATOM 1335 CG ARG A 90 -6.174 3.227 -3.102 1.00 0.00 C ATOM 1336 CD ARG A 90 -6.774 4.557 -3.562 1.00 0.00 C ATOM 1337 NE ARG A 90 -7.497 4.371 -4.840 1.00 0.00 N ATOM 1338 CZ ARG A 90 -8.376 5.250 -5.340 1.00 0.00 C ATOM 1339 NH1 ARG A 90 -8.647 6.381 -4.673 1.00 0.00 N ATOM 1340 NH2 ARG A 90 -8.985 4.999 -6.507 1.00 0.00 N ATOM 0 H ARG A 90 -3.705 2.796 -1.812 1.00 0.00 H new ATOM 0 HA ARG A 90 -5.793 1.651 -0.059 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -7.434 2.723 -1.426 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -6.234 3.949 -1.070 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -5.106 3.211 -3.319 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -6.625 2.408 -3.662 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -7.455 4.940 -2.802 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -5.984 5.298 -3.686 1.00 0.00 H new ATOM 0 HE ARG A 90 -7.315 3.521 -5.373 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -8.184 6.573 -3.785 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -9.316 7.050 -5.054 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -8.779 4.139 -7.015 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -9.654 5.668 -6.887 1.00 0.00 H new ATOM 1354 N VAL A 91 -6.292 -0.267 -1.573 1.00 0.00 N ATOM 1355 CA VAL A 91 -6.430 -1.487 -2.350 1.00 0.00 C ATOM 1356 C VAL A 91 -7.837 -1.550 -2.947 1.00 0.00 C ATOM 1357 O VAL A 91 -8.819 -1.269 -2.262 1.00 0.00 O ATOM 1358 CB VAL A 91 -6.094 -2.701 -1.482 1.00 0.00 C ATOM 1359 CG1 VAL A 91 -6.200 -3.997 -2.288 1.00 0.00 C ATOM 1360 CG2 VAL A 91 -4.706 -2.559 -0.854 1.00 0.00 C ATOM 0 H VAL A 91 -6.843 -0.243 -0.715 1.00 0.00 H new ATOM 0 HA VAL A 91 -5.724 -1.493 -3.180 1.00 0.00 H new ATOM 0 HB VAL A 91 -6.824 -2.747 -0.674 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -5.956 -4.845 -1.648 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -7.216 -4.108 -2.666 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.503 -3.963 -3.125 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.492 -3.435 -0.242 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.957 -2.475 -1.642 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.679 -1.665 -0.230 1.00 0.00 H new ATOM 1370 N MET A 92 -7.890 -1.921 -4.218 1.00 0.00 N ATOM 1371 CA MET A 92 -9.161 -2.024 -4.915 1.00 0.00 C ATOM 1372 C MET A 92 -9.399 -3.451 -5.412 1.00 0.00 C ATOM 1373 O MET A 92 -8.450 -4.197 -5.647 1.00 0.00 O ATOM 1374 CB MET A 92 -9.171 -1.061 -6.104 1.00 0.00 C ATOM 1375 CG MET A 92 -9.375 0.382 -5.639 1.00 0.00 C ATOM 1376 SD MET A 92 -8.243 1.465 -6.495 1.00 0.00 S ATOM 1377 CE MET A 92 -6.698 0.921 -5.787 1.00 0.00 C ATOM 0 H MET A 92 -7.073 -2.154 -4.783 1.00 0.00 H new ATOM 0 HA MET A 92 -9.958 -1.764 -4.219 1.00 0.00 H new ATOM 0 HB2 MET A 92 -8.231 -1.142 -6.650 1.00 0.00 H new ATOM 0 HB3 MET A 92 -9.966 -1.340 -6.796 1.00 0.00 H new ATOM 0 HG2 MET A 92 -10.402 0.692 -5.829 1.00 0.00 H new ATOM 0 HG3 MET A 92 -9.215 0.452 -4.563 1.00 0.00 H new ATOM 0 HE1 MET A 92 -6.081 1.788 -5.550 1.00 0.00 H new ATOM 0 HE2 MET A 92 -6.894 0.355 -4.876 1.00 0.00 H new ATOM 0 HE3 MET A 92 -6.173 0.287 -6.502 1.00 0.00 H new ATOM 1387 N ALA A 93 -10.672 -3.788 -5.558 1.00 0.00 N ATOM 1388 CA ALA A 93 -11.047 -5.113 -6.022 1.00 0.00 C ATOM 1389 C ALA A 93 -11.860 -4.985 -7.312 1.00 0.00 C ATOM 1390 O ALA A 93 -12.741 -4.132 -7.414 1.00 0.00 O ATOM 1391 CB ALA A 93 -11.816 -5.843 -4.919 1.00 0.00 C ATOM 0 H ALA A 93 -11.457 -3.166 -5.363 1.00 0.00 H new ATOM 0 HA ALA A 93 -10.160 -5.705 -6.247 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -12.097 -6.837 -5.268 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -11.185 -5.934 -4.035 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -12.714 -5.279 -4.668 1.00 0.00 H new ATOM 1397 N VAL A 94 -11.536 -5.846 -8.266 1.00 0.00 N ATOM 1398 CA VAL A 94 -12.225 -5.839 -9.546 1.00 0.00 C ATOM 1399 C VAL A 94 -12.644 -7.267 -9.901 1.00 0.00 C ATOM 1400 O VAL A 94 -11.831 -8.189 -9.845 1.00 0.00 O ATOM 1401 CB VAL A 94 -11.340 -5.193 -10.613 1.00 0.00 C ATOM 1402 CG1 VAL A 94 -12.176 -4.713 -11.801 1.00 0.00 C ATOM 1403 CG2 VAL A 94 -10.516 -4.047 -10.023 1.00 0.00 C ATOM 0 H VAL A 94 -10.806 -6.553 -8.178 1.00 0.00 H new ATOM 0 HA VAL A 94 -13.133 -5.238 -9.489 1.00 0.00 H new ATOM 0 HB VAL A 94 -10.646 -5.951 -10.976 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -11.523 -4.258 -12.545 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -12.697 -5.561 -12.246 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -12.905 -3.978 -11.460 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -9.896 -3.606 -10.803 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -11.186 -3.288 -9.619 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -9.879 -4.430 -9.226 1.00 0.00 H new ATOM 1413 N ASN A 95 -13.912 -7.406 -10.258 1.00 0.00 N ATOM 1414 CA ASN A 95 -14.449 -8.706 -10.623 1.00 0.00 C ATOM 1415 C ASN A 95 -15.244 -8.578 -11.924 1.00 0.00 C ATOM 1416 O ASN A 95 -15.198 -7.541 -12.584 1.00 0.00 O ATOM 1417 CB ASN A 95 -15.394 -9.234 -9.542 1.00 0.00 C ATOM 1418 CG ASN A 95 -16.607 -8.315 -9.376 1.00 0.00 C ATOM 1419 OD1 ASN A 95 -16.919 -7.497 -10.226 1.00 0.00 O ATOM 1420 ND2 ASN A 95 -17.270 -8.495 -8.238 1.00 0.00 N ATOM 0 H ASN A 95 -14.584 -6.640 -10.302 1.00 0.00 H new ATOM 0 HA ASN A 95 -13.613 -9.395 -10.740 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -15.727 -10.238 -9.804 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -14.861 -9.313 -8.595 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -18.094 -7.930 -8.033 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -16.954 -9.198 -7.570 1.00 0.00 H new ATOM 1427 N SER A 96 -15.955 -9.646 -12.253 1.00 0.00 N ATOM 1428 CA SER A 96 -16.759 -9.667 -13.463 1.00 0.00 C ATOM 1429 C SER A 96 -17.522 -8.348 -13.607 1.00 0.00 C ATOM 1430 O SER A 96 -17.577 -7.774 -14.693 1.00 0.00 O ATOM 1431 CB SER A 96 -17.734 -10.846 -13.457 1.00 0.00 C ATOM 1432 OG SER A 96 -17.200 -11.983 -14.130 1.00 0.00 O ATOM 0 H SER A 96 -15.991 -10.504 -11.702 1.00 0.00 H new ATOM 0 HA SER A 96 -16.091 -9.788 -14.315 1.00 0.00 H new ATOM 0 HB2 SER A 96 -17.974 -11.113 -12.428 1.00 0.00 H new ATOM 0 HB3 SER A 96 -18.667 -10.547 -13.934 1.00 0.00 H new ATOM 0 HG SER A 96 -17.851 -12.715 -14.103 1.00 0.00 H new ATOM 1438 N ILE A 97 -18.091 -7.907 -12.495 1.00 0.00 N ATOM 1439 CA ILE A 97 -18.849 -6.667 -12.483 1.00 0.00 C ATOM 1440 C ILE A 97 -17.938 -5.514 -12.911 1.00 0.00 C ATOM 1441 O ILE A 97 -17.841 -5.202 -14.097 1.00 0.00 O ATOM 1442 CB ILE A 97 -19.509 -6.455 -11.120 1.00 0.00 C ATOM 1443 CG1 ILE A 97 -20.369 -7.661 -10.734 1.00 0.00 C ATOM 1444 CG2 ILE A 97 -20.307 -5.150 -11.093 1.00 0.00 C ATOM 1445 CD1 ILE A 97 -21.765 -7.559 -11.352 1.00 0.00 C ATOM 0 H ILE A 97 -18.043 -8.386 -11.596 1.00 0.00 H new ATOM 0 HA ILE A 97 -19.666 -6.713 -13.203 1.00 0.00 H new ATOM 0 HB ILE A 97 -18.723 -6.366 -10.370 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -19.886 -8.579 -11.068 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -20.451 -7.721 -9.649 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -20.766 -5.024 -10.112 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -19.640 -4.311 -11.292 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -21.085 -5.183 -11.856 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -22.356 -8.428 -11.062 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -22.255 -6.652 -10.997 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -21.680 -7.524 -12.438 1.00 0.00 H new ATOM 1457 N GLY A 98 -17.293 -4.913 -11.922 1.00 0.00 N ATOM 1458 CA GLY A 98 -16.394 -3.802 -12.181 1.00 0.00 C ATOM 1459 C GLY A 98 -15.406 -3.615 -11.027 1.00 0.00 C ATOM 1460 O GLY A 98 -15.119 -4.559 -10.293 1.00 0.00 O ATOM 0 H GLY A 98 -17.375 -5.175 -10.940 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -15.847 -3.980 -13.107 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -16.971 -2.888 -12.322 1.00 0.00 H new ATOM 1464 N LYS A 99 -14.913 -2.391 -10.904 1.00 0.00 N ATOM 1465 CA LYS A 99 -13.964 -2.069 -9.853 1.00 0.00 C ATOM 1466 C LYS A 99 -14.696 -1.366 -8.708 1.00 0.00 C ATOM 1467 O LYS A 99 -15.403 -0.384 -8.929 1.00 0.00 O ATOM 1468 CB LYS A 99 -12.791 -1.265 -10.418 1.00 0.00 C ATOM 1469 CG LYS A 99 -11.783 -0.921 -9.320 1.00 0.00 C ATOM 1470 CD LYS A 99 -11.096 0.416 -9.605 1.00 0.00 C ATOM 1471 CE LYS A 99 -10.253 0.338 -10.879 1.00 0.00 C ATOM 1472 NZ LYS A 99 -9.692 1.667 -11.211 1.00 0.00 N ATOM 0 H LYS A 99 -15.153 -1.611 -11.515 1.00 0.00 H new ATOM 0 HA LYS A 99 -13.528 -2.980 -9.442 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -12.298 -1.838 -11.203 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -13.161 -0.348 -10.877 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -12.291 -0.875 -8.357 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -11.035 -1.710 -9.248 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -11.846 1.200 -9.709 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -10.462 0.691 -8.762 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -9.445 -0.381 -10.744 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -10.865 -0.022 -11.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -9.122 1.597 -12.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -10.467 2.344 -11.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -9.091 1.996 -10.428 1.00 0.00 H new ATOM 1486 N SER A 100 -14.502 -1.897 -7.510 1.00 0.00 N ATOM 1487 CA SER A 100 -15.136 -1.333 -6.330 1.00 0.00 C ATOM 1488 C SER A 100 -14.378 -0.085 -5.875 1.00 0.00 C ATOM 1489 O SER A 100 -13.395 0.311 -6.501 1.00 0.00 O ATOM 1490 CB SER A 100 -15.199 -2.358 -5.195 1.00 0.00 C ATOM 1491 OG SER A 100 -13.914 -2.615 -4.636 1.00 0.00 O ATOM 0 H SER A 100 -13.915 -2.712 -7.331 1.00 0.00 H new ATOM 0 HA SER A 100 -16.157 -1.056 -6.591 1.00 0.00 H new ATOM 0 HB2 SER A 100 -15.868 -1.994 -4.415 1.00 0.00 H new ATOM 0 HB3 SER A 100 -15.624 -3.289 -5.570 1.00 0.00 H new ATOM 0 HG SER A 100 -13.932 -3.467 -4.152 1.00 0.00 H new ATOM 1497 N LEU A 101 -14.863 0.501 -4.790 1.00 0.00 N ATOM 1498 CA LEU A 101 -14.243 1.697 -4.245 1.00 0.00 C ATOM 1499 C LEU A 101 -12.909 1.323 -3.595 1.00 0.00 C ATOM 1500 O LEU A 101 -12.669 0.157 -3.288 1.00 0.00 O ATOM 1501 CB LEU A 101 -15.207 2.417 -3.300 1.00 0.00 C ATOM 1502 CG LEU A 101 -16.298 3.257 -3.968 1.00 0.00 C ATOM 1503 CD1 LEU A 101 -17.330 3.730 -2.942 1.00 0.00 C ATOM 1504 CD2 LEU A 101 -15.690 4.424 -4.748 1.00 0.00 C ATOM 0 H LEU A 101 -15.678 0.170 -4.274 1.00 0.00 H new ATOM 0 HA LEU A 101 -14.022 2.409 -5.041 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -15.687 1.672 -2.666 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -14.626 3.066 -2.645 1.00 0.00 H new ATOM 0 HG LEU A 101 -16.823 2.627 -4.687 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -18.094 4.325 -3.442 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -17.795 2.865 -2.469 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -16.837 4.337 -2.183 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -16.486 5.005 -5.213 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -15.125 5.062 -4.068 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -15.024 4.038 -5.520 1.00 0.00 H new ATOM 1516 N PRO A 102 -12.054 2.363 -3.399 1.00 0.00 N ATOM 1517 CA PRO A 102 -10.751 2.156 -2.791 1.00 0.00 C ATOM 1518 C PRO A 102 -10.879 1.932 -1.283 1.00 0.00 C ATOM 1519 O PRO A 102 -11.754 2.507 -0.638 1.00 0.00 O ATOM 1520 CB PRO A 102 -9.951 3.400 -3.141 1.00 0.00 C ATOM 1521 CG PRO A 102 -10.973 4.456 -3.531 1.00 0.00 C ATOM 1522 CD PRO A 102 -12.305 3.758 -3.750 1.00 0.00 C ATOM 0 HA PRO A 102 -10.252 1.261 -3.161 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -9.352 3.731 -2.293 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -9.261 3.203 -3.961 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -11.061 5.209 -2.748 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -10.660 4.974 -4.438 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -13.086 4.190 -3.124 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -12.637 3.853 -4.784 1.00 0.00 H new ATOM 1530 N SER A 103 -9.993 1.095 -0.764 1.00 0.00 N ATOM 1531 CA SER A 103 -9.995 0.788 0.656 1.00 0.00 C ATOM 1532 C SER A 103 -9.927 2.081 1.471 1.00 0.00 C ATOM 1533 O SER A 103 -9.432 3.098 0.988 1.00 0.00 O ATOM 1534 CB SER A 103 -8.830 -0.133 1.023 1.00 0.00 C ATOM 1535 OG SER A 103 -7.601 0.581 1.137 1.00 0.00 O ATOM 0 H SER A 103 -9.268 0.620 -1.302 1.00 0.00 H new ATOM 0 HA SER A 103 -10.923 0.266 0.891 1.00 0.00 H new ATOM 0 HB2 SER A 103 -9.047 -0.634 1.966 1.00 0.00 H new ATOM 0 HB3 SER A 103 -8.729 -0.910 0.265 1.00 0.00 H new ATOM 0 HG SER A 103 -7.409 0.753 2.083 1.00 0.00 H new ATOM 1541 N GLU A 104 -10.432 2.000 2.693 1.00 0.00 N ATOM 1542 CA GLU A 104 -10.435 3.151 3.580 1.00 0.00 C ATOM 1543 C GLU A 104 -9.155 3.968 3.392 1.00 0.00 C ATOM 1544 O GLU A 104 -9.160 4.986 2.702 1.00 0.00 O ATOM 1545 CB GLU A 104 -10.601 2.720 5.038 1.00 0.00 C ATOM 1546 CG GLU A 104 -11.949 2.029 5.256 1.00 0.00 C ATOM 1547 CD GLU A 104 -12.101 1.567 6.706 1.00 0.00 C ATOM 1548 OE1 GLU A 104 -11.405 0.593 7.067 1.00 0.00 O ATOM 1549 OE2 GLU A 104 -12.909 2.198 7.421 1.00 0.00 O ATOM 0 H GLU A 104 -10.842 1.155 3.090 1.00 0.00 H new ATOM 0 HA GLU A 104 -11.287 3.781 3.323 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -9.793 2.043 5.315 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -10.525 3.591 5.689 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -12.758 2.714 5.002 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -12.035 1.173 4.587 1.00 0.00 H new ATOM 1556 N ALA A 105 -8.090 3.492 4.019 1.00 0.00 N ATOM 1557 CA ALA A 105 -6.805 4.166 3.930 1.00 0.00 C ATOM 1558 C ALA A 105 -5.893 3.667 5.052 1.00 0.00 C ATOM 1559 O ALA A 105 -6.126 3.961 6.224 1.00 0.00 O ATOM 1560 CB ALA A 105 -7.019 5.680 3.982 1.00 0.00 C ATOM 0 H ALA A 105 -8.090 2.648 4.591 1.00 0.00 H new ATOM 0 HA ALA A 105 -6.316 3.938 2.983 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -6.056 6.186 3.915 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -7.649 5.987 3.147 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -7.505 5.947 4.921 1.00 0.00 H new ATOM 1566 N SER A 106 -4.874 2.919 4.655 1.00 0.00 N ATOM 1567 CA SER A 106 -3.926 2.376 5.612 1.00 0.00 C ATOM 1568 C SER A 106 -3.149 3.512 6.281 1.00 0.00 C ATOM 1569 O SER A 106 -3.373 4.683 5.980 1.00 0.00 O ATOM 1570 CB SER A 106 -2.961 1.398 4.938 1.00 0.00 C ATOM 1571 OG SER A 106 -1.812 2.058 4.414 1.00 0.00 O ATOM 0 H SER A 106 -4.684 2.676 3.683 1.00 0.00 H new ATOM 0 HA SER A 106 -4.483 1.828 6.372 1.00 0.00 H new ATOM 0 HB2 SER A 106 -2.648 0.643 5.659 1.00 0.00 H new ATOM 0 HB3 SER A 106 -3.478 0.876 4.133 1.00 0.00 H new ATOM 0 HG SER A 106 -1.985 2.331 3.489 1.00 0.00 H new ATOM 1577 N GLU A 107 -2.252 3.126 7.177 1.00 0.00 N ATOM 1578 CA GLU A 107 -1.441 4.097 7.891 1.00 0.00 C ATOM 1579 C GLU A 107 -0.527 4.844 6.917 1.00 0.00 C ATOM 1580 O GLU A 107 -0.448 4.492 5.741 1.00 0.00 O ATOM 1581 CB GLU A 107 -0.628 3.424 8.999 1.00 0.00 C ATOM 1582 CG GLU A 107 0.289 2.342 8.426 1.00 0.00 C ATOM 1583 CD GLU A 107 1.757 2.765 8.514 1.00 0.00 C ATOM 1584 OE1 GLU A 107 2.217 2.982 9.656 1.00 0.00 O ATOM 1585 OE2 GLU A 107 2.386 2.862 7.438 1.00 0.00 O ATOM 0 H GLU A 107 -2.069 2.154 7.425 1.00 0.00 H new ATOM 0 HA GLU A 107 -2.106 4.820 8.362 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -0.032 4.171 9.522 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -1.302 2.983 9.733 1.00 0.00 H new ATOM 0 HG2 GLU A 107 0.142 1.410 8.971 1.00 0.00 H new ATOM 0 HG3 GLU A 107 0.024 2.149 7.386 1.00 0.00 H new ATOM 1592 N GLN A 108 0.140 5.860 7.443 1.00 0.00 N ATOM 1593 CA GLN A 108 1.045 6.660 6.635 1.00 0.00 C ATOM 1594 C GLN A 108 2.484 6.168 6.805 1.00 0.00 C ATOM 1595 O GLN A 108 3.162 6.540 7.761 1.00 0.00 O ATOM 1596 CB GLN A 108 0.928 8.144 6.986 1.00 0.00 C ATOM 1597 CG GLN A 108 0.076 8.887 5.955 1.00 0.00 C ATOM 1598 CD GLN A 108 0.473 10.362 5.876 1.00 0.00 C ATOM 1599 OE1 GLN A 108 0.187 11.157 6.757 1.00 0.00 O ATOM 1600 NE2 GLN A 108 1.146 10.684 4.775 1.00 0.00 N ATOM 0 H GLN A 108 0.072 6.148 8.419 1.00 0.00 H new ATOM 0 HA GLN A 108 0.764 6.545 5.588 1.00 0.00 H new ATOM 0 HB2 GLN A 108 0.485 8.253 7.976 1.00 0.00 H new ATOM 0 HB3 GLN A 108 1.922 8.590 7.031 1.00 0.00 H new ATOM 0 HG2 GLN A 108 0.195 8.422 4.976 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -0.978 8.804 6.221 1.00 0.00 H new ATOM 0 HE21 GLN A 108 1.353 9.970 4.076 1.00 0.00 H new ATOM 0 HE22 GLN A 108 1.455 11.645 4.629 1.00 0.00 H new ATOM 1609 N TYR A 109 2.907 5.338 5.862 1.00 0.00 N ATOM 1610 CA TYR A 109 4.252 4.791 5.896 1.00 0.00 C ATOM 1611 C TYR A 109 5.271 5.808 5.375 1.00 0.00 C ATOM 1612 O TYR A 109 5.223 6.199 4.210 1.00 0.00 O ATOM 1613 CB TYR A 109 4.238 3.578 4.963 1.00 0.00 C ATOM 1614 CG TYR A 109 5.366 2.578 5.225 1.00 0.00 C ATOM 1615 CD1 TYR A 109 6.650 3.030 5.450 1.00 0.00 C ATOM 1616 CD2 TYR A 109 5.098 1.224 5.236 1.00 0.00 C ATOM 1617 CE1 TYR A 109 7.711 2.089 5.697 1.00 0.00 C ATOM 1618 CE2 TYR A 109 6.160 0.283 5.483 1.00 0.00 C ATOM 1619 CZ TYR A 109 7.414 0.761 5.701 1.00 0.00 C ATOM 1620 OH TYR A 109 8.416 -0.128 5.934 1.00 0.00 O ATOM 0 H TYR A 109 2.342 5.032 5.070 1.00 0.00 H new ATOM 0 HA TYR A 109 4.535 4.531 6.916 1.00 0.00 H new ATOM 0 HB2 TYR A 109 3.281 3.066 5.064 1.00 0.00 H new ATOM 0 HB3 TYR A 109 4.306 3.925 3.932 1.00 0.00 H new ATOM 0 HD1 TYR A 109 6.859 4.090 5.441 1.00 0.00 H new ATOM 0 HD2 TYR A 109 4.093 0.871 5.060 1.00 0.00 H new ATOM 0 HE1 TYR A 109 8.720 2.429 5.875 1.00 0.00 H new ATOM 0 HE2 TYR A 109 5.965 -0.779 5.495 1.00 0.00 H new ATOM 0 HH TYR A 109 8.057 -1.040 5.908 1.00 0.00 H new ATOM 1630 N LEU A 110 6.168 6.206 6.265 1.00 0.00 N ATOM 1631 CA LEU A 110 7.196 7.170 5.910 1.00 0.00 C ATOM 1632 C LEU A 110 8.570 6.594 6.258 1.00 0.00 C ATOM 1633 O LEU A 110 8.877 6.372 7.428 1.00 0.00 O ATOM 1634 CB LEU A 110 6.912 8.522 6.567 1.00 0.00 C ATOM 1635 CG LEU A 110 7.881 9.654 6.217 1.00 0.00 C ATOM 1636 CD1 LEU A 110 8.061 9.773 4.702 1.00 0.00 C ATOM 1637 CD2 LEU A 110 7.431 10.975 6.845 1.00 0.00 C ATOM 0 H LEU A 110 6.204 5.879 7.230 1.00 0.00 H new ATOM 0 HA LEU A 110 7.190 7.356 4.836 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.905 8.834 6.290 1.00 0.00 H new ATOM 0 HB3 LEU A 110 6.918 8.387 7.649 1.00 0.00 H new ATOM 0 HG LEU A 110 8.856 9.411 6.640 1.00 0.00 H new ATOM 0 HD11 LEU A 110 8.754 10.585 4.481 1.00 0.00 H new ATOM 0 HD12 LEU A 110 8.459 8.838 4.308 1.00 0.00 H new ATOM 0 HD13 LEU A 110 7.098 9.981 4.236 1.00 0.00 H new ATOM 0 HD21 LEU A 110 8.137 11.763 6.581 1.00 0.00 H new ATOM 0 HD22 LEU A 110 6.440 11.236 6.473 1.00 0.00 H new ATOM 0 HD23 LEU A 110 7.395 10.869 7.929 1.00 0.00 H new ATOM 1649 N THR A 111 9.362 6.368 5.219 1.00 0.00 N ATOM 1650 CA THR A 111 10.696 5.822 5.400 1.00 0.00 C ATOM 1651 C THR A 111 11.635 6.887 5.969 1.00 0.00 C ATOM 1652 O THR A 111 11.264 8.055 6.075 1.00 0.00 O ATOM 1653 CB THR A 111 11.162 5.257 4.056 1.00 0.00 C ATOM 1654 OG1 THR A 111 11.265 6.403 3.215 1.00 0.00 O ATOM 1655 CG2 THR A 111 10.093 4.395 3.382 1.00 0.00 C ATOM 0 H THR A 111 9.105 6.553 4.249 1.00 0.00 H new ATOM 0 HA THR A 111 10.696 5.011 6.128 1.00 0.00 H new ATOM 0 HB THR A 111 12.065 4.665 4.204 1.00 0.00 H new ATOM 0 HG1 THR A 111 11.563 6.128 2.323 1.00 0.00 H new ATOM 0 HG21 THR A 111 10.474 4.019 2.433 1.00 0.00 H new ATOM 0 HG22 THR A 111 9.841 3.555 4.030 1.00 0.00 H new ATOM 0 HG23 THR A 111 9.201 4.996 3.203 1.00 0.00 H new ATOM 1663 N LYS A 112 12.834 6.446 6.321 1.00 0.00 N ATOM 1664 CA LYS A 112 13.830 7.347 6.877 1.00 0.00 C ATOM 1665 C LYS A 112 13.981 8.562 5.959 1.00 0.00 C ATOM 1666 O LYS A 112 14.135 8.414 4.747 1.00 0.00 O ATOM 1667 CB LYS A 112 15.142 6.603 7.133 1.00 0.00 C ATOM 1668 CG LYS A 112 14.926 5.424 8.085 1.00 0.00 C ATOM 1669 CD LYS A 112 14.361 5.898 9.425 1.00 0.00 C ATOM 1670 CE LYS A 112 14.976 5.115 10.587 1.00 0.00 C ATOM 1671 NZ LYS A 112 13.942 4.306 11.271 1.00 0.00 N ATOM 0 H LYS A 112 13.138 5.477 6.232 1.00 0.00 H new ATOM 0 HA LYS A 112 13.507 7.719 7.849 1.00 0.00 H new ATOM 0 HB2 LYS A 112 15.550 6.243 6.189 1.00 0.00 H new ATOM 0 HB3 LYS A 112 15.876 7.288 7.557 1.00 0.00 H new ATOM 0 HG2 LYS A 112 14.242 4.706 7.631 1.00 0.00 H new ATOM 0 HG3 LYS A 112 15.871 4.905 8.248 1.00 0.00 H new ATOM 0 HD2 LYS A 112 14.561 6.962 9.552 1.00 0.00 H new ATOM 0 HD3 LYS A 112 13.278 5.774 9.431 1.00 0.00 H new ATOM 0 HE2 LYS A 112 15.769 4.465 10.216 1.00 0.00 H new ATOM 0 HE3 LYS A 112 15.435 5.805 11.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 14.376 3.781 12.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 13.200 4.933 11.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 13.523 3.635 10.596 1.00 0.00 H new ATOM 1685 N ALA A 113 13.932 9.736 6.571 1.00 0.00 N ATOM 1686 CA ALA A 113 14.062 10.975 5.824 1.00 0.00 C ATOM 1687 C ALA A 113 14.795 12.009 6.683 1.00 0.00 C ATOM 1688 O ALA A 113 14.275 13.096 6.930 1.00 0.00 O ATOM 1689 CB ALA A 113 12.677 11.456 5.388 1.00 0.00 C ATOM 0 H ALA A 113 13.804 9.855 7.576 1.00 0.00 H new ATOM 0 HA ALA A 113 14.652 10.819 4.921 1.00 0.00 H new ATOM 0 HB1 ALA A 113 12.775 12.386 4.827 1.00 0.00 H new ATOM 0 HB2 ALA A 113 12.211 10.699 4.757 1.00 0.00 H new ATOM 0 HB3 ALA A 113 12.057 11.626 6.268 1.00 0.00 H new ATOM 1695 N SER A 114 15.990 11.633 7.114 1.00 0.00 N ATOM 1696 CA SER A 114 16.799 12.513 7.939 1.00 0.00 C ATOM 1697 C SER A 114 15.959 13.070 9.090 1.00 0.00 C ATOM 1698 O SER A 114 15.824 14.284 9.235 1.00 0.00 O ATOM 1699 CB SER A 114 17.388 13.657 7.111 1.00 0.00 C ATOM 1700 OG SER A 114 18.757 13.894 7.427 1.00 0.00 O ATOM 0 H SER A 114 16.417 10.730 6.907 1.00 0.00 H new ATOM 0 HA SER A 114 17.626 11.933 8.348 1.00 0.00 H new ATOM 0 HB2 SER A 114 17.296 13.422 6.051 1.00 0.00 H new ATOM 0 HB3 SER A 114 16.813 14.566 7.287 1.00 0.00 H new ATOM 0 HG SER A 114 19.097 14.630 6.877 1.00 0.00 H new ATOM 1706 N GLU A 115 15.415 12.155 9.880 1.00 0.00 N ATOM 1707 CA GLU A 115 14.591 12.539 11.014 1.00 0.00 C ATOM 1708 C GLU A 115 14.241 11.310 11.855 1.00 0.00 C ATOM 1709 O GLU A 115 14.103 10.209 11.325 1.00 0.00 O ATOM 1710 CB GLU A 115 13.327 13.266 10.552 1.00 0.00 C ATOM 1711 CG GLU A 115 13.378 14.748 10.928 1.00 0.00 C ATOM 1712 CD GLU A 115 12.717 15.610 9.851 1.00 0.00 C ATOM 1713 OE1 GLU A 115 13.434 15.966 8.891 1.00 0.00 O ATOM 1714 OE2 GLU A 115 11.511 15.894 10.013 1.00 0.00 O ATOM 0 H GLU A 115 15.529 11.149 9.757 1.00 0.00 H new ATOM 0 HA GLU A 115 15.161 13.230 11.635 1.00 0.00 H new ATOM 0 HB2 GLU A 115 13.219 13.165 9.472 1.00 0.00 H new ATOM 0 HB3 GLU A 115 12.451 12.802 11.005 1.00 0.00 H new ATOM 0 HG2 GLU A 115 12.874 14.902 11.882 1.00 0.00 H new ATOM 0 HG3 GLU A 115 14.415 15.058 11.061 1.00 0.00 H new ATOM 1721 N PRO A 116 14.103 11.546 13.188 1.00 0.00 N ATOM 1722 CA PRO A 116 13.771 10.472 14.108 1.00 0.00 C ATOM 1723 C PRO A 116 12.296 10.084 13.989 1.00 0.00 C ATOM 1724 O PRO A 116 11.975 8.938 13.677 1.00 0.00 O ATOM 1725 CB PRO A 116 14.135 11.006 15.484 1.00 0.00 C ATOM 1726 CG PRO A 116 14.220 12.516 15.336 1.00 0.00 C ATOM 1727 CD PRO A 116 14.258 12.838 13.851 1.00 0.00 C ATOM 0 HA PRO A 116 14.316 9.552 13.895 1.00 0.00 H new ATOM 0 HB2 PRO A 116 13.383 10.728 16.222 1.00 0.00 H new ATOM 0 HB3 PRO A 116 15.084 10.593 15.825 1.00 0.00 H new ATOM 0 HG2 PRO A 116 13.362 12.995 15.808 1.00 0.00 H new ATOM 0 HG3 PRO A 116 15.112 12.899 15.832 1.00 0.00 H new ATOM 0 HD2 PRO A 116 13.458 13.524 13.574 1.00 0.00 H new ATOM 0 HD3 PRO A 116 15.198 13.316 13.573 1.00 0.00 H new ATOM 1735 N ASP A 117 11.438 11.061 14.243 1.00 0.00 N ATOM 1736 CA ASP A 117 10.004 10.836 14.168 1.00 0.00 C ATOM 1737 C ASP A 117 9.695 9.942 12.965 1.00 0.00 C ATOM 1738 O ASP A 117 10.477 9.877 12.018 1.00 0.00 O ATOM 1739 CB ASP A 117 9.249 12.154 13.984 1.00 0.00 C ATOM 1740 CG ASP A 117 7.926 12.253 14.746 1.00 0.00 C ATOM 1741 OD1 ASP A 117 7.830 11.595 15.805 1.00 0.00 O ATOM 1742 OD2 ASP A 117 7.040 12.984 14.253 1.00 0.00 O ATOM 0 H ASP A 117 11.708 12.010 14.501 1.00 0.00 H new ATOM 0 HA ASP A 117 9.687 10.366 15.099 1.00 0.00 H new ATOM 0 HB2 ASP A 117 9.895 12.973 14.300 1.00 0.00 H new ATOM 0 HB3 ASP A 117 9.051 12.297 12.922 1.00 0.00 H new ATOM 1747 N LYS A 118 8.552 9.275 13.043 1.00 0.00 N ATOM 1748 CA LYS A 118 8.130 8.388 11.972 1.00 0.00 C ATOM 1749 C LYS A 118 7.413 9.202 10.894 1.00 0.00 C ATOM 1750 O LYS A 118 7.853 9.242 9.746 1.00 0.00 O ATOM 1751 CB LYS A 118 7.293 7.235 12.531 1.00 0.00 C ATOM 1752 CG LYS A 118 6.816 6.310 11.409 1.00 0.00 C ATOM 1753 CD LYS A 118 7.605 5.000 11.405 1.00 0.00 C ATOM 1754 CE LYS A 118 6.944 3.964 10.494 1.00 0.00 C ATOM 1755 NZ LYS A 118 7.498 2.617 10.754 1.00 0.00 N ATOM 0 H LYS A 118 7.906 9.331 13.830 1.00 0.00 H new ATOM 0 HA LYS A 118 8.995 7.924 11.498 1.00 0.00 H new ATOM 0 HB2 LYS A 118 7.884 6.667 13.249 1.00 0.00 H new ATOM 0 HB3 LYS A 118 6.433 7.633 13.070 1.00 0.00 H new ATOM 0 HG2 LYS A 118 5.754 6.099 11.534 1.00 0.00 H new ATOM 0 HG3 LYS A 118 6.930 6.810 10.447 1.00 0.00 H new ATOM 0 HD2 LYS A 118 8.625 5.187 11.069 1.00 0.00 H new ATOM 0 HD3 LYS A 118 7.671 4.608 12.420 1.00 0.00 H new ATOM 0 HE2 LYS A 118 5.867 3.959 10.661 1.00 0.00 H new ATOM 0 HE3 LYS A 118 7.104 4.234 9.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 7.039 1.926 10.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 8.522 2.622 10.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 7.323 2.355 11.745 1.00 0.00 H new ATOM 1769 N ASN A 119 6.320 9.831 11.301 1.00 0.00 N ATOM 1770 CA ASN A 119 5.537 10.642 10.384 1.00 0.00 C ATOM 1771 C ASN A 119 5.193 11.973 11.054 1.00 0.00 C ATOM 1772 O ASN A 119 4.763 12.000 12.206 1.00 0.00 O ATOM 1773 CB ASN A 119 4.226 9.945 10.014 1.00 0.00 C ATOM 1774 CG ASN A 119 3.735 10.395 8.637 1.00 0.00 C ATOM 1775 OD1 ASN A 119 3.121 11.437 8.478 1.00 0.00 O ATOM 1776 ND2 ASN A 119 4.040 9.554 7.652 1.00 0.00 N ATOM 0 H ASN A 119 5.958 9.795 12.254 1.00 0.00 H new ATOM 0 HA ASN A 119 6.129 10.798 9.482 1.00 0.00 H new ATOM 0 HB2 ASN A 119 4.371 8.865 10.017 1.00 0.00 H new ATOM 0 HB3 ASN A 119 3.468 10.167 10.765 1.00 0.00 H new ATOM 0 HD21 ASN A 119 3.757 9.765 6.695 1.00 0.00 H new ATOM 0 HD22 ASN A 119 4.557 8.698 7.854 1.00 0.00 H new ATOM 1783 N PRO A 120 5.399 13.075 10.283 1.00 0.00 N ATOM 1784 CA PRO A 120 5.115 14.407 10.790 1.00 0.00 C ATOM 1785 C PRO A 120 3.609 14.670 10.824 1.00 0.00 C ATOM 1786 O PRO A 120 3.103 15.280 11.765 1.00 0.00 O ATOM 1787 CB PRO A 120 5.862 15.349 9.860 1.00 0.00 C ATOM 1788 CG PRO A 120 6.153 14.548 8.601 1.00 0.00 C ATOM 1789 CD PRO A 120 5.906 13.081 8.914 1.00 0.00 C ATOM 0 HA PRO A 120 5.442 14.544 11.821 1.00 0.00 H new ATOM 0 HB2 PRO A 120 5.262 16.230 9.632 1.00 0.00 H new ATOM 0 HB3 PRO A 120 6.785 15.702 10.320 1.00 0.00 H new ATOM 0 HG2 PRO A 120 5.512 14.877 7.783 1.00 0.00 H new ATOM 0 HG3 PRO A 120 7.183 14.702 8.280 1.00 0.00 H new ATOM 0 HD2 PRO A 120 5.185 12.644 8.223 1.00 0.00 H new ATOM 0 HD3 PRO A 120 6.823 12.498 8.829 1.00 0.00 H new ATOM 1797 N THR A 121 2.934 14.198 9.787 1.00 0.00 N ATOM 1798 CA THR A 121 1.495 14.375 9.686 1.00 0.00 C ATOM 1799 C THR A 121 0.774 13.452 10.671 1.00 0.00 C ATOM 1800 O THR A 121 0.971 12.238 10.647 1.00 0.00 O ATOM 1801 CB THR A 121 1.090 14.144 8.229 1.00 0.00 C ATOM 1802 OG1 THR A 121 1.479 15.344 7.566 1.00 0.00 O ATOM 1803 CG2 THR A 121 -0.427 14.091 8.044 1.00 0.00 C ATOM 0 H THR A 121 3.357 13.693 9.008 1.00 0.00 H new ATOM 0 HA THR A 121 1.201 15.388 9.963 1.00 0.00 H new ATOM 0 HB THR A 121 1.531 13.213 7.873 1.00 0.00 H new ATOM 0 HG1 THR A 121 1.254 15.279 6.614 1.00 0.00 H new ATOM 0 HG21 THR A 121 -0.660 13.925 6.992 1.00 0.00 H new ATOM 0 HG22 THR A 121 -0.838 13.276 8.639 1.00 0.00 H new ATOM 0 HG23 THR A 121 -0.866 15.034 8.368 1.00 0.00 H new ATOM 1811 N SER A 122 -0.046 14.063 11.513 1.00 0.00 N ATOM 1812 CA SER A 122 -0.798 13.311 12.503 1.00 0.00 C ATOM 1813 C SER A 122 -2.297 13.549 12.314 1.00 0.00 C ATOM 1814 O SER A 122 -2.702 14.567 11.756 1.00 0.00 O ATOM 1815 CB SER A 122 -0.375 13.695 13.923 1.00 0.00 C ATOM 1816 OG SER A 122 -0.501 12.604 14.831 1.00 0.00 O ATOM 0 H SER A 122 -0.206 15.070 11.530 1.00 0.00 H new ATOM 0 HA SER A 122 -0.585 12.251 12.362 1.00 0.00 H new ATOM 0 HB2 SER A 122 0.659 14.040 13.912 1.00 0.00 H new ATOM 0 HB3 SER A 122 -0.986 14.528 14.270 1.00 0.00 H new ATOM 0 HG SER A 122 -0.220 12.889 15.726 1.00 0.00 H new ATOM 1822 N GLY A 123 -3.080 12.591 12.789 1.00 0.00 N ATOM 1823 CA GLY A 123 -4.526 12.683 12.679 1.00 0.00 C ATOM 1824 C GLY A 123 -5.134 13.304 13.938 1.00 0.00 C ATOM 1825 O GLY A 123 -4.541 14.196 14.543 1.00 0.00 O ATOM 0 H GLY A 123 -2.740 11.747 13.251 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -4.790 13.284 11.809 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -4.946 11.690 12.520 1.00 0.00 H new ATOM 1829 N PRO A 124 -6.340 12.795 14.306 1.00 0.00 N ATOM 1830 CA PRO A 124 -7.034 13.289 15.482 1.00 0.00 C ATOM 1831 C PRO A 124 -6.384 12.765 16.764 1.00 0.00 C ATOM 1832 O PRO A 124 -6.955 11.922 17.455 1.00 0.00 O ATOM 1833 CB PRO A 124 -8.472 12.826 15.314 1.00 0.00 C ATOM 1834 CG PRO A 124 -8.432 11.702 14.292 1.00 0.00 C ATOM 1835 CD PRO A 124 -7.072 11.738 13.613 1.00 0.00 C ATOM 0 HA PRO A 124 -6.986 14.374 15.573 1.00 0.00 H new ATOM 0 HB2 PRO A 124 -8.883 12.478 16.261 1.00 0.00 H new ATOM 0 HB3 PRO A 124 -9.108 13.643 14.972 1.00 0.00 H new ATOM 0 HG2 PRO A 124 -8.591 10.739 14.777 1.00 0.00 H new ATOM 0 HG3 PRO A 124 -9.229 11.825 13.558 1.00 0.00 H new ATOM 0 HD2 PRO A 124 -6.560 10.779 13.700 1.00 0.00 H new ATOM 0 HD3 PRO A 124 -7.166 11.954 12.549 1.00 0.00 H new ATOM 1843 N SER A 125 -5.197 13.285 17.043 1.00 0.00 N ATOM 1844 CA SER A 125 -4.463 12.879 18.229 1.00 0.00 C ATOM 1845 C SER A 125 -4.704 13.880 19.361 1.00 0.00 C ATOM 1846 O SER A 125 -4.616 15.089 19.154 1.00 0.00 O ATOM 1847 CB SER A 125 -2.966 12.760 17.936 1.00 0.00 C ATOM 1848 OG SER A 125 -2.541 11.401 17.872 1.00 0.00 O ATOM 0 H SER A 125 -4.726 13.984 16.468 1.00 0.00 H new ATOM 0 HA SER A 125 -4.825 11.898 18.536 1.00 0.00 H new ATOM 0 HB2 SER A 125 -2.741 13.255 16.991 1.00 0.00 H new ATOM 0 HB3 SER A 125 -2.402 13.280 18.711 1.00 0.00 H new ATOM 0 HG SER A 125 -1.580 11.367 17.682 1.00 0.00 H new ATOM 1854 N SER A 126 -5.002 13.339 20.533 1.00 0.00 N ATOM 1855 CA SER A 126 -5.256 14.169 21.698 1.00 0.00 C ATOM 1856 C SER A 126 -4.046 14.143 22.633 1.00 0.00 C ATOM 1857 O SER A 126 -3.567 13.073 23.005 1.00 0.00 O ATOM 1858 CB SER A 126 -6.511 13.706 22.441 1.00 0.00 C ATOM 1859 OG SER A 126 -6.674 14.381 23.685 1.00 0.00 O ATOM 0 H SER A 126 -5.073 12.335 20.701 1.00 0.00 H new ATOM 0 HA SER A 126 -5.423 15.191 21.359 1.00 0.00 H new ATOM 0 HB2 SER A 126 -7.387 13.880 21.816 1.00 0.00 H new ATOM 0 HB3 SER A 126 -6.453 12.632 22.616 1.00 0.00 H new ATOM 0 HG SER A 126 -7.487 14.059 24.128 1.00 0.00 H new ATOM 1865 N GLY A 127 -3.585 15.335 22.986 1.00 0.00 N ATOM 1866 CA GLY A 127 -2.440 15.462 23.871 1.00 0.00 C ATOM 1867 C GLY A 127 -2.886 15.648 25.322 1.00 0.00 C ATOM 1868 O GLY A 127 -3.441 14.731 25.927 1.00 0.00 O ATOM 0 H GLY A 127 -3.984 16.221 22.675 1.00 0.00 H new ATOM 0 HA2 GLY A 127 -1.814 14.574 23.791 1.00 0.00 H new ATOM 0 HA3 GLY A 127 -1.830 16.311 23.563 1.00 0.00 H new TER 1872 GLY A 127