USER MOD reduce.3.24.130724 H: found=0, std=0, add=912, rem=0, adj=41 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 :FLIP amide:sc= -2.76! F(o=-12,f=-10!) USER MOD Set 1.2: A 108 GLN : amide:sc=-0.00282 X(o=-10,f=-11) USER MOD Set 1.3: A 119 ASN : amide:sc= -7.44! C(o=-10!,f=-13!) USER MOD Set 2.1: A 45 SER OG : rot 140:sc= -4.72! USER MOD Set 2.2: A 95 ASN : amide:sc= -12.6! C(o=-17!,f=-29!) USER MOD Set 3.1: A 18 ASN :FLIP amide:sc= 0 F(o=-1.8,f=-0.93) USER MOD Set 3.2: A 43 ASN :FLIP amide:sc= -0.925 F(o=-2.1!,f=-0.93) USER MOD Set 4.1: A 34 GLN :FLIP amide:sc= -0.622 F(o=-1.5,f=-0.59) USER MOD Set 4.2: A 78 GLN :FLIP amide:sc= 0.0328 X(o=-0.65,f=-0.59) USER MOD Set 5.1: A 32 SER OG : rot -146:sc= -0.437 USER MOD Set 5.2: A 80 ASN : amide:sc= -0.537 K(o=-0.97,f=-6!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 9:sc= 0.0439 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 22:sc= 0.323 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -1.81! X(o=-1.8!,f=-1.5) USER MOD Single : A 48 THR OG1 : rot -3:sc= -1.5 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 -142:sc= -0.0597 (180deg=-0.493) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=-0.088) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HE2:sc= -0.699 K(o=-0.7,f=-2.7!) USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 67 GLN : amide:sc= -2.07! X(o=-2.1!,f=-1.8) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.0758 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= -4.84! C(o=-4.8!,f=-11!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 43:sc= 0.155 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 -100:sc= -1.2 USER MOD Single : A 88 SER OG : rot -124:sc= -1.04! USER MOD Single : A 92 MET CE :methyl -144:sc= -8.05! (180deg=-12.1!) 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 172:sc= 0.959 USER MOD Single : A 103 SER OG : rot 90:sc= -1.35 USER MOD Single : A 106 SER OG : rot 180:sc= -1.25 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot -148:sc= 0.988 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 -24.954 0.991 3.763 1.00 0.00 N ATOM 2 CA GLY A 1 -26.379 0.721 3.685 1.00 0.00 C ATOM 3 C GLY A 1 -26.974 1.280 2.391 1.00 0.00 C ATOM 4 O GLY A 1 -27.372 2.443 2.338 1.00 0.00 O ATOM 0 H1 GLY A 1 -24.575 0.602 4.650 1.00 0.00 H new ATOM 0 H2 GLY A 1 -24.472 0.547 2.956 1.00 0.00 H new ATOM 0 H3 GLY A 1 -24.794 2.018 3.739 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -26.552 -0.354 3.734 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -26.884 1.165 4.543 1.00 0.00 H new ATOM 8 N SER A 2 -27.015 0.427 1.378 1.00 0.00 N ATOM 9 CA SER A 2 -27.554 0.821 0.088 1.00 0.00 C ATOM 10 C SER A 2 -28.621 -0.178 -0.361 1.00 0.00 C ATOM 11 O SER A 2 -28.521 -1.370 -0.074 1.00 0.00 O ATOM 12 CB SER A 2 -26.447 0.924 -0.963 1.00 0.00 C ATOM 13 OG SER A 2 -26.502 2.156 -1.678 1.00 0.00 O ATOM 0 H SER A 2 -26.683 -0.536 1.425 1.00 0.00 H new ATOM 0 HA SER A 2 -28.010 1.805 0.194 1.00 0.00 H new ATOM 0 HB2 SER A 2 -25.476 0.830 -0.477 1.00 0.00 H new ATOM 0 HB3 SER A 2 -26.534 0.094 -1.664 1.00 0.00 H new ATOM 0 HG SER A 2 -25.778 2.184 -2.338 1.00 0.00 H new ATOM 19 N SER A 3 -29.620 0.344 -1.058 1.00 0.00 N ATOM 20 CA SER A 3 -30.705 -0.488 -1.550 1.00 0.00 C ATOM 21 C SER A 3 -31.510 -1.047 -0.375 1.00 0.00 C ATOM 22 O SER A 3 -31.016 -1.100 0.750 1.00 0.00 O ATOM 23 CB SER A 3 -30.173 -1.630 -2.420 1.00 0.00 C ATOM 24 OG SER A 3 -30.895 -1.750 -3.642 1.00 0.00 O ATOM 0 H SER A 3 -29.701 1.333 -1.294 1.00 0.00 H new ATOM 0 HA SER A 3 -31.357 0.130 -2.168 1.00 0.00 H new ATOM 0 HB2 SER A 3 -29.119 -1.460 -2.637 1.00 0.00 H new ATOM 0 HB3 SER A 3 -30.237 -2.567 -1.867 1.00 0.00 H new ATOM 0 HG SER A 3 -30.525 -2.488 -4.170 1.00 0.00 H new ATOM 30 N GLY A 4 -32.735 -1.449 -0.677 1.00 0.00 N ATOM 31 CA GLY A 4 -33.613 -2.001 0.341 1.00 0.00 C ATOM 32 C GLY A 4 -33.801 -3.507 0.144 1.00 0.00 C ATOM 33 O GLY A 4 -34.808 -3.944 -0.411 1.00 0.00 O ATOM 0 H GLY A 4 -33.141 -1.404 -1.612 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -33.196 -1.809 1.329 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -34.581 -1.502 0.301 1.00 0.00 H new ATOM 37 N SER A 5 -32.815 -4.259 0.611 1.00 0.00 N ATOM 38 CA SER A 5 -32.859 -5.707 0.493 1.00 0.00 C ATOM 39 C SER A 5 -33.618 -6.306 1.679 1.00 0.00 C ATOM 40 O SER A 5 -33.567 -5.773 2.787 1.00 0.00 O ATOM 41 CB SER A 5 -31.449 -6.296 0.415 1.00 0.00 C ATOM 42 OG SER A 5 -30.696 -6.039 1.597 1.00 0.00 O ATOM 0 H SER A 5 -31.982 -3.893 1.071 1.00 0.00 H new ATOM 0 HA SER A 5 -33.381 -5.959 -0.430 1.00 0.00 H new ATOM 0 HB2 SER A 5 -31.514 -7.372 0.254 1.00 0.00 H new ATOM 0 HB3 SER A 5 -30.928 -5.876 -0.445 1.00 0.00 H new ATOM 0 HG SER A 5 -29.803 -6.433 1.508 1.00 0.00 H new ATOM 48 N SER A 6 -34.306 -7.405 1.406 1.00 0.00 N ATOM 49 CA SER A 6 -35.075 -8.081 2.436 1.00 0.00 C ATOM 50 C SER A 6 -34.994 -9.596 2.240 1.00 0.00 C ATOM 51 O SER A 6 -34.655 -10.329 3.168 1.00 0.00 O ATOM 52 CB SER A 6 -36.535 -7.622 2.425 1.00 0.00 C ATOM 53 OG SER A 6 -36.692 -6.329 3.004 1.00 0.00 O ATOM 0 H SER A 6 -34.347 -7.844 0.486 1.00 0.00 H new ATOM 0 HA SER A 6 -34.649 -7.823 3.405 1.00 0.00 H new ATOM 0 HB2 SER A 6 -36.903 -7.607 1.399 1.00 0.00 H new ATOM 0 HB3 SER A 6 -37.145 -8.341 2.972 1.00 0.00 H new ATOM 0 HG SER A 6 -35.810 -5.936 3.170 1.00 0.00 H new ATOM 59 N GLY A 7 -35.312 -10.021 1.026 1.00 0.00 N ATOM 60 CA GLY A 7 -35.280 -11.436 0.696 1.00 0.00 C ATOM 61 C GLY A 7 -35.119 -11.644 -0.811 1.00 0.00 C ATOM 62 O GLY A 7 -36.061 -12.053 -1.489 1.00 0.00 O ATOM 0 H GLY A 7 -35.593 -9.410 0.259 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -34.456 -11.917 1.223 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -36.199 -11.913 1.036 1.00 0.00 H new ATOM 66 N PRO A 8 -33.888 -11.345 -1.305 1.00 0.00 N ATOM 67 CA PRO A 8 -33.592 -11.495 -2.720 1.00 0.00 C ATOM 68 C PRO A 8 -33.421 -12.969 -3.091 1.00 0.00 C ATOM 69 O PRO A 8 -32.339 -13.389 -3.498 1.00 0.00 O ATOM 70 CB PRO A 8 -32.332 -10.675 -2.947 1.00 0.00 C ATOM 71 CG PRO A 8 -31.709 -10.479 -1.575 1.00 0.00 C ATOM 72 CD PRO A 8 -32.749 -10.859 -0.533 1.00 0.00 C ATOM 0 HA PRO A 8 -34.401 -11.142 -3.359 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -31.645 -11.192 -3.617 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -32.568 -9.716 -3.409 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -30.818 -11.098 -1.468 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -31.396 -9.443 -1.442 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -32.371 -11.627 0.141 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -33.024 -10.002 0.082 1.00 0.00 H new ATOM 80 N THR A 9 -34.506 -13.715 -2.938 1.00 0.00 N ATOM 81 CA THR A 9 -34.490 -15.133 -3.252 1.00 0.00 C ATOM 82 C THR A 9 -34.418 -15.343 -4.766 1.00 0.00 C ATOM 83 O THR A 9 -33.568 -16.087 -5.253 1.00 0.00 O ATOM 84 CB THR A 9 -35.720 -15.774 -2.607 1.00 0.00 C ATOM 85 OG1 THR A 9 -35.200 -16.456 -1.469 1.00 0.00 O ATOM 86 CG2 THR A 9 -36.319 -16.888 -3.468 1.00 0.00 C ATOM 0 H THR A 9 -35.402 -13.363 -2.601 1.00 0.00 H new ATOM 0 HA THR A 9 -33.603 -15.618 -2.846 1.00 0.00 H new ATOM 0 HB THR A 9 -36.475 -15.009 -2.427 1.00 0.00 H new ATOM 0 HG1 THR A 9 -35.932 -16.899 -0.991 1.00 0.00 H new ATOM 0 HG21 THR A 9 -37.189 -17.309 -2.964 1.00 0.00 H new ATOM 0 HG22 THR A 9 -36.620 -16.480 -4.433 1.00 0.00 H new ATOM 0 HG23 THR A 9 -35.575 -17.670 -3.621 1.00 0.00 H new ATOM 94 N PRO A 10 -35.346 -14.658 -5.486 1.00 0.00 N ATOM 95 CA PRO A 10 -35.395 -14.762 -6.934 1.00 0.00 C ATOM 96 C PRO A 10 -34.257 -13.969 -7.581 1.00 0.00 C ATOM 97 O PRO A 10 -34.227 -12.743 -7.499 1.00 0.00 O ATOM 98 CB PRO A 10 -36.772 -14.246 -7.319 1.00 0.00 C ATOM 99 CG PRO A 10 -37.264 -13.442 -6.126 1.00 0.00 C ATOM 100 CD PRO A 10 -36.368 -13.769 -4.942 1.00 0.00 C ATOM 0 HA PRO A 10 -35.254 -15.784 -7.287 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -36.721 -13.626 -8.214 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -37.450 -15.070 -7.541 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -37.232 -12.375 -6.346 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -38.301 -13.690 -5.900 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -35.925 -12.867 -4.520 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -36.929 -14.253 -4.142 1.00 0.00 H new ATOM 108 N ALA A 11 -33.350 -14.703 -8.208 1.00 0.00 N ATOM 109 CA ALA A 11 -32.213 -14.084 -8.868 1.00 0.00 C ATOM 110 C ALA A 11 -31.270 -13.504 -7.812 1.00 0.00 C ATOM 111 O ALA A 11 -31.719 -12.931 -6.821 1.00 0.00 O ATOM 112 CB ALA A 11 -32.709 -13.023 -9.852 1.00 0.00 C ATOM 0 H ALA A 11 -33.379 -15.721 -8.273 1.00 0.00 H new ATOM 0 HA ALA A 11 -31.653 -14.823 -9.441 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -31.856 -12.559 -10.347 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -33.351 -13.491 -10.598 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -33.274 -12.262 -9.313 1.00 0.00 H new ATOM 118 N PRO A 12 -29.945 -13.678 -8.066 1.00 0.00 N ATOM 119 CA PRO A 12 -28.935 -13.179 -7.150 1.00 0.00 C ATOM 120 C PRO A 12 -28.793 -11.659 -7.265 1.00 0.00 C ATOM 121 O PRO A 12 -29.616 -11.002 -7.900 1.00 0.00 O ATOM 122 CB PRO A 12 -27.663 -13.924 -7.521 1.00 0.00 C ATOM 123 CG PRO A 12 -27.892 -14.465 -8.923 1.00 0.00 C ATOM 124 CD PRO A 12 -29.377 -14.352 -9.230 1.00 0.00 C ATOM 0 HA PRO A 12 -29.192 -13.354 -6.105 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -26.799 -13.260 -7.495 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -27.465 -14.733 -6.818 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -27.308 -13.901 -9.650 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -27.566 -15.503 -8.989 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -29.551 -13.781 -10.142 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -29.827 -15.334 -9.378 1.00 0.00 H new ATOM 132 N VAL A 13 -27.743 -11.146 -6.640 1.00 0.00 N ATOM 133 CA VAL A 13 -27.482 -9.717 -6.664 1.00 0.00 C ATOM 134 C VAL A 13 -25.979 -9.474 -6.516 1.00 0.00 C ATOM 135 O VAL A 13 -25.323 -10.107 -5.690 1.00 0.00 O ATOM 136 CB VAL A 13 -28.310 -9.016 -5.585 1.00 0.00 C ATOM 137 CG1 VAL A 13 -28.506 -7.536 -5.920 1.00 0.00 C ATOM 138 CG2 VAL A 13 -29.656 -9.715 -5.387 1.00 0.00 C ATOM 0 H VAL A 13 -27.063 -11.695 -6.114 1.00 0.00 H new ATOM 0 HA VAL A 13 -27.787 -9.289 -7.619 1.00 0.00 H new ATOM 0 HB VAL A 13 -27.759 -9.078 -4.647 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -29.098 -7.061 -5.137 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -27.534 -7.047 -5.988 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -29.026 -7.445 -6.874 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -30.225 -9.197 -4.615 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -30.215 -9.699 -6.322 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -29.488 -10.748 -5.082 1.00 0.00 H new ATOM 148 N TYR A 14 -25.477 -8.556 -7.329 1.00 0.00 N ATOM 149 CA TYR A 14 -24.064 -8.222 -7.299 1.00 0.00 C ATOM 150 C TYR A 14 -23.854 -6.760 -6.900 1.00 0.00 C ATOM 151 O TYR A 14 -24.787 -6.096 -6.450 1.00 0.00 O ATOM 152 CB TYR A 14 -23.551 -8.427 -8.726 1.00 0.00 C ATOM 153 CG TYR A 14 -24.005 -9.740 -9.368 1.00 0.00 C ATOM 154 CD1 TYR A 14 -23.311 -10.906 -9.118 1.00 0.00 C ATOM 155 CD2 TYR A 14 -25.109 -9.758 -10.196 1.00 0.00 C ATOM 156 CE1 TYR A 14 -23.738 -12.142 -9.722 1.00 0.00 C ATOM 157 CE2 TYR A 14 -25.536 -10.993 -10.800 1.00 0.00 C ATOM 158 CZ TYR A 14 -24.830 -12.124 -10.533 1.00 0.00 C ATOM 159 OH TYR A 14 -25.233 -13.291 -11.104 1.00 0.00 O ATOM 0 H TYR A 14 -26.024 -8.033 -8.013 1.00 0.00 H new ATOM 0 HA TYR A 14 -23.539 -8.843 -6.573 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -23.888 -7.596 -9.345 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -22.461 -8.396 -8.717 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -22.448 -10.892 -8.469 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -25.653 -8.845 -10.391 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -23.204 -13.062 -9.535 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -26.398 -11.021 -11.451 1.00 0.00 H new ATOM 0 HH TYR A 14 -26.026 -13.128 -11.657 1.00 0.00 H new ATOM 169 N ASP A 15 -22.624 -6.302 -7.079 1.00 0.00 N ATOM 170 CA ASP A 15 -22.280 -4.930 -6.743 1.00 0.00 C ATOM 171 C ASP A 15 -20.773 -4.832 -6.498 1.00 0.00 C ATOM 172 O ASP A 15 -20.340 -4.303 -5.475 1.00 0.00 O ATOM 173 CB ASP A 15 -22.997 -4.479 -5.469 1.00 0.00 C ATOM 174 CG ASP A 15 -24.291 -3.695 -5.698 1.00 0.00 C ATOM 175 OD1 ASP A 15 -24.465 -3.207 -6.835 1.00 0.00 O ATOM 176 OD2 ASP A 15 -25.076 -3.601 -4.730 1.00 0.00 O ATOM 0 H ASP A 15 -21.853 -6.856 -7.452 1.00 0.00 H new ATOM 0 HA ASP A 15 -22.585 -4.293 -7.573 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -23.225 -5.359 -4.867 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -22.314 -3.862 -4.885 1.00 0.00 H new ATOM 181 N VAL A 16 -20.016 -5.351 -7.453 1.00 0.00 N ATOM 182 CA VAL A 16 -18.566 -5.329 -7.353 1.00 0.00 C ATOM 183 C VAL A 16 -18.145 -5.868 -5.985 1.00 0.00 C ATOM 184 O VAL A 16 -18.954 -5.927 -5.061 1.00 0.00 O ATOM 185 CB VAL A 16 -18.045 -3.916 -7.625 1.00 0.00 C ATOM 186 CG1 VAL A 16 -18.396 -3.466 -9.045 1.00 0.00 C ATOM 187 CG2 VAL A 16 -18.578 -2.926 -6.588 1.00 0.00 C ATOM 0 H VAL A 16 -20.379 -5.789 -8.300 1.00 0.00 H new ATOM 0 HA VAL A 16 -18.121 -5.977 -8.108 1.00 0.00 H new ATOM 0 HB VAL A 16 -16.959 -3.937 -7.540 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -18.014 -2.459 -9.212 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -17.945 -4.149 -9.765 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -19.479 -3.469 -9.171 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -18.193 -1.930 -6.804 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -19.667 -2.910 -6.626 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -18.255 -3.232 -5.593 1.00 0.00 H new ATOM 197 N PRO A 17 -16.845 -6.260 -5.897 1.00 0.00 N ATOM 198 CA PRO A 17 -16.307 -6.793 -4.657 1.00 0.00 C ATOM 199 C PRO A 17 -16.076 -5.678 -3.635 1.00 0.00 C ATOM 200 O PRO A 17 -15.315 -4.746 -3.889 1.00 0.00 O ATOM 201 CB PRO A 17 -15.025 -7.504 -5.059 1.00 0.00 C ATOM 202 CG PRO A 17 -14.652 -6.951 -6.425 1.00 0.00 C ATOM 203 CD PRO A 17 -15.858 -6.205 -6.971 1.00 0.00 C ATOM 0 HA PRO A 17 -16.992 -7.482 -4.163 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -14.233 -7.320 -4.334 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -15.174 -8.583 -5.102 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -13.794 -6.283 -6.345 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -14.366 -7.759 -7.099 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -15.605 -5.175 -7.224 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -16.235 -6.674 -7.880 1.00 0.00 H new ATOM 211 N ASN A 18 -16.748 -5.810 -2.501 1.00 0.00 N ATOM 212 CA ASN A 18 -16.626 -4.826 -1.440 1.00 0.00 C ATOM 213 C ASN A 18 -15.151 -4.469 -1.248 1.00 0.00 C ATOM 214 O ASN A 18 -14.268 -5.206 -1.684 1.00 0.00 O ATOM 215 CB ASN A 18 -17.155 -5.376 -0.114 1.00 0.00 C ATOM 216 CG ASN A 18 -18.635 -5.034 0.070 1.00 0.00 C ATOM 217 OD1 ASN A 18 -19.404 -5.391 -0.954 1.00 0.00 O flip ATOM 218 ND2 ASN A 18 -19.051 -4.483 1.076 1.00 0.00 N flip ATOM 0 H ASN A 18 -17.379 -6.584 -2.294 1.00 0.00 H new ATOM 0 HA ASN A 18 -17.209 -3.950 -1.725 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -17.022 -6.457 -0.086 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -16.577 -4.962 0.712 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -18.405 -4.236 1.826 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -20.044 -4.270 1.167 1.00 0.00 H new ATOM 225 N PRO A 19 -14.923 -3.307 -0.578 1.00 0.00 N ATOM 226 CA PRO A 19 -13.569 -2.843 -0.324 1.00 0.00 C ATOM 227 C PRO A 19 -12.912 -3.657 0.793 1.00 0.00 C ATOM 228 O PRO A 19 -13.595 -4.159 1.684 1.00 0.00 O ATOM 229 CB PRO A 19 -13.717 -1.371 0.022 1.00 0.00 C ATOM 230 CG PRO A 19 -15.176 -1.176 0.402 1.00 0.00 C ATOM 231 CD PRO A 19 -15.943 -2.408 -0.048 1.00 0.00 C ATOM 0 HA PRO A 19 -12.911 -2.972 -1.183 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.059 -1.096 0.846 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -13.447 -0.742 -0.826 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -15.275 -1.037 1.479 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -15.578 -0.281 -0.073 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -16.481 -2.865 0.783 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -16.684 -2.158 -0.808 1.00 0.00 H new ATOM 239 N PRO A 20 -11.559 -3.764 0.706 1.00 0.00 N ATOM 240 CA PRO A 20 -10.802 -4.507 1.699 1.00 0.00 C ATOM 241 C PRO A 20 -10.690 -3.720 3.006 1.00 0.00 C ATOM 242 O PRO A 20 -11.067 -2.551 3.065 1.00 0.00 O ATOM 243 CB PRO A 20 -9.454 -4.772 1.048 1.00 0.00 C ATOM 244 CG PRO A 20 -9.339 -3.774 -0.093 1.00 0.00 C ATOM 245 CD PRO A 20 -10.717 -3.182 -0.335 1.00 0.00 C ATOM 0 HA PRO A 20 -11.284 -5.443 1.982 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -8.642 -4.642 1.764 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -9.393 -5.796 0.679 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -8.625 -2.989 0.157 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -8.971 -4.265 -0.994 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -10.698 -2.094 -0.267 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -11.087 -3.433 -1.329 1.00 0.00 H new ATOM 253 N PHE A 21 -10.171 -4.394 4.022 1.00 0.00 N ATOM 254 CA PHE A 21 -10.005 -3.772 5.325 1.00 0.00 C ATOM 255 C PHE A 21 -8.839 -4.402 6.089 1.00 0.00 C ATOM 256 O PHE A 21 -8.121 -5.243 5.549 1.00 0.00 O ATOM 257 CB PHE A 21 -11.300 -4.014 6.104 1.00 0.00 C ATOM 258 CG PHE A 21 -11.706 -5.486 6.194 1.00 0.00 C ATOM 259 CD1 PHE A 21 -11.262 -6.252 7.226 1.00 0.00 C ATOM 260 CD2 PHE A 21 -12.512 -6.028 5.242 1.00 0.00 C ATOM 261 CE1 PHE A 21 -11.639 -7.619 7.309 1.00 0.00 C ATOM 262 CE2 PHE A 21 -12.889 -7.395 5.325 1.00 0.00 C ATOM 263 CZ PHE A 21 -12.445 -8.161 6.357 1.00 0.00 C ATOM 0 H PHE A 21 -9.860 -5.364 3.969 1.00 0.00 H new ATOM 0 HA PHE A 21 -9.794 -2.709 5.206 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -11.185 -3.617 7.113 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -12.106 -3.454 5.631 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -10.623 -5.821 7.982 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -12.865 -5.419 4.423 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -11.286 -8.228 8.128 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -13.528 -7.826 4.569 1.00 0.00 H new ATOM 0 HZ PHE A 21 -12.732 -9.200 6.421 1.00 0.00 H new ATOM 273 N ASP A 22 -8.687 -3.972 7.333 1.00 0.00 N ATOM 274 CA ASP A 22 -7.620 -4.484 8.176 1.00 0.00 C ATOM 275 C ASP A 22 -6.277 -4.284 7.471 1.00 0.00 C ATOM 276 O ASP A 22 -5.291 -4.937 7.808 1.00 0.00 O ATOM 277 CB ASP A 22 -7.796 -5.981 8.440 1.00 0.00 C ATOM 278 CG ASP A 22 -7.894 -6.370 9.917 1.00 0.00 C ATOM 279 OD1 ASP A 22 -8.795 -5.824 10.589 1.00 0.00 O ATOM 280 OD2 ASP A 22 -7.064 -7.204 10.340 1.00 0.00 O ATOM 0 H ASP A 22 -9.285 -3.275 7.777 1.00 0.00 H new ATOM 0 HA ASP A 22 -7.651 -3.944 9.123 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -8.697 -6.321 7.930 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -6.956 -6.514 7.994 1.00 0.00 H new ATOM 285 N LEU A 23 -6.282 -3.378 6.504 1.00 0.00 N ATOM 286 CA LEU A 23 -5.077 -3.084 5.748 1.00 0.00 C ATOM 287 C LEU A 23 -3.886 -3.006 6.705 1.00 0.00 C ATOM 288 O LEU A 23 -4.051 -2.696 7.883 1.00 0.00 O ATOM 289 CB LEU A 23 -5.269 -1.823 4.902 1.00 0.00 C ATOM 290 CG LEU A 23 -5.195 -2.014 3.386 1.00 0.00 C ATOM 291 CD1 LEU A 23 -6.435 -2.743 2.864 1.00 0.00 C ATOM 292 CD2 LEU A 23 -4.973 -0.678 2.675 1.00 0.00 C ATOM 0 H LEU A 23 -7.102 -2.838 6.227 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.867 -3.886 5.040 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.239 -1.390 5.147 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.512 -1.095 5.194 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.334 -2.644 3.163 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -6.357 -2.866 1.784 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.507 -3.723 3.336 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -7.326 -2.160 3.100 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.924 -0.842 1.599 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.799 -0.003 2.902 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.038 -0.235 3.017 1.00 0.00 H new ATOM 304 N GLU A 24 -2.712 -3.294 6.162 1.00 0.00 N ATOM 305 CA GLU A 24 -1.493 -3.261 6.953 1.00 0.00 C ATOM 306 C GLU A 24 -0.269 -3.177 6.039 1.00 0.00 C ATOM 307 O GLU A 24 -0.370 -3.419 4.837 1.00 0.00 O ATOM 308 CB GLU A 24 -1.406 -4.477 7.877 1.00 0.00 C ATOM 309 CG GLU A 24 -1.378 -4.050 9.346 1.00 0.00 C ATOM 310 CD GLU A 24 -2.180 -5.020 10.215 1.00 0.00 C ATOM 311 OE1 GLU A 24 -3.405 -5.111 9.983 1.00 0.00 O ATOM 312 OE2 GLU A 24 -1.550 -5.650 11.092 1.00 0.00 O ATOM 0 H GLU A 24 -2.579 -3.551 5.184 1.00 0.00 H new ATOM 0 HA GLU A 24 -1.514 -2.370 7.581 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.259 -5.133 7.702 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -0.509 -5.051 7.645 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -0.347 -4.010 9.697 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -1.788 -3.045 9.444 1.00 0.00 H new ATOM 319 N LEU A 25 0.859 -2.835 6.644 1.00 0.00 N ATOM 320 CA LEU A 25 2.101 -2.717 5.900 1.00 0.00 C ATOM 321 C LEU A 25 3.241 -3.327 6.718 1.00 0.00 C ATOM 322 O LEU A 25 3.651 -2.766 7.733 1.00 0.00 O ATOM 323 CB LEU A 25 2.346 -1.263 5.493 1.00 0.00 C ATOM 324 CG LEU A 25 1.343 -0.664 4.505 1.00 0.00 C ATOM 325 CD1 LEU A 25 1.130 0.827 4.775 1.00 0.00 C ATOM 326 CD2 LEU A 25 1.772 -0.930 3.060 1.00 0.00 C ATOM 0 H LEU A 25 0.939 -2.636 7.641 1.00 0.00 H new ATOM 0 HA LEU A 25 2.041 -3.279 4.968 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.348 -0.650 6.394 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.342 -1.192 5.057 1.00 0.00 H new ATOM 0 HG LEU A 25 0.382 -1.157 4.652 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.413 1.228 4.059 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.747 0.963 5.786 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.078 1.354 4.672 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.042 -0.494 2.378 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.749 -0.481 2.882 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.831 -2.005 2.890 1.00 0.00 H new ATOM 338 N THR A 26 3.721 -4.469 6.245 1.00 0.00 N ATOM 339 CA THR A 26 4.805 -5.161 6.921 1.00 0.00 C ATOM 340 C THR A 26 5.625 -5.974 5.917 1.00 0.00 C ATOM 341 O THR A 26 5.070 -6.748 5.139 1.00 0.00 O ATOM 342 CB THR A 26 4.199 -6.010 8.040 1.00 0.00 C ATOM 343 OG1 THR A 26 3.378 -6.952 7.355 1.00 0.00 O ATOM 344 CG2 THR A 26 3.218 -5.221 8.908 1.00 0.00 C ATOM 0 H THR A 26 3.379 -4.931 5.403 1.00 0.00 H new ATOM 0 HA THR A 26 5.505 -4.457 7.371 1.00 0.00 H new ATOM 0 HB THR A 26 4.997 -6.408 8.666 1.00 0.00 H new ATOM 0 HG1 THR A 26 3.682 -7.037 6.427 1.00 0.00 H new ATOM 0 HG21 THR A 26 2.817 -5.870 9.686 1.00 0.00 H new ATOM 0 HG22 THR A 26 3.735 -4.379 9.368 1.00 0.00 H new ATOM 0 HG23 THR A 26 2.401 -4.850 8.289 1.00 0.00 H new ATOM 352 N ASP A 27 6.933 -5.770 5.968 1.00 0.00 N ATOM 353 CA ASP A 27 7.836 -6.475 5.073 1.00 0.00 C ATOM 354 C ASP A 27 9.094 -6.882 5.841 1.00 0.00 C ATOM 355 O ASP A 27 9.347 -6.381 6.936 1.00 0.00 O ATOM 356 CB ASP A 27 8.262 -5.582 3.906 1.00 0.00 C ATOM 357 CG ASP A 27 9.394 -6.143 3.042 1.00 0.00 C ATOM 358 OD1 ASP A 27 9.100 -7.063 2.249 1.00 0.00 O ATOM 359 OD2 ASP A 27 10.528 -5.639 3.196 1.00 0.00 O ATOM 0 H ASP A 27 7.389 -5.127 6.615 1.00 0.00 H new ATOM 0 HA ASP A 27 7.313 -7.349 4.686 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.395 -5.402 3.270 1.00 0.00 H new ATOM 0 HB3 ASP A 27 8.573 -4.615 4.302 1.00 0.00 H new ATOM 364 N GLN A 28 9.851 -7.787 5.237 1.00 0.00 N ATOM 365 CA GLN A 28 11.077 -8.267 5.851 1.00 0.00 C ATOM 366 C GLN A 28 12.209 -8.298 4.822 1.00 0.00 C ATOM 367 O GLN A 28 12.873 -9.320 4.655 1.00 0.00 O ATOM 368 CB GLN A 28 10.871 -9.646 6.482 1.00 0.00 C ATOM 369 CG GLN A 28 10.392 -10.659 5.440 1.00 0.00 C ATOM 370 CD GLN A 28 9.678 -11.836 6.108 1.00 0.00 C ATOM 371 OE1 GLN A 28 10.032 -12.277 7.189 1.00 0.00 O ATOM 372 NE2 GLN A 28 8.656 -12.317 5.407 1.00 0.00 N ATOM 0 H GLN A 28 9.639 -8.200 4.329 1.00 0.00 H new ATOM 0 HA GLN A 28 11.356 -7.577 6.648 1.00 0.00 H new ATOM 0 HB2 GLN A 28 11.805 -9.990 6.926 1.00 0.00 H new ATOM 0 HB3 GLN A 28 10.141 -9.576 7.289 1.00 0.00 H new ATOM 0 HG2 GLN A 28 9.717 -10.171 4.737 1.00 0.00 H new ATOM 0 HG3 GLN A 28 11.243 -11.024 4.864 1.00 0.00 H new ATOM 0 HE21 GLN A 28 8.413 -11.900 4.508 1.00 0.00 H new ATOM 0 HE22 GLN A 28 8.115 -13.103 5.768 1.00 0.00 H new ATOM 381 N LEU A 29 12.394 -7.167 4.159 1.00 0.00 N ATOM 382 CA LEU A 29 13.434 -7.052 3.151 1.00 0.00 C ATOM 383 C LEU A 29 13.629 -5.577 2.791 1.00 0.00 C ATOM 384 O LEU A 29 12.724 -4.941 2.253 1.00 0.00 O ATOM 385 CB LEU A 29 13.115 -7.941 1.947 1.00 0.00 C ATOM 386 CG LEU A 29 14.141 -9.029 1.626 1.00 0.00 C ATOM 387 CD1 LEU A 29 13.460 -10.276 1.060 1.00 0.00 C ATOM 388 CD2 LEU A 29 15.229 -8.497 0.691 1.00 0.00 C ATOM 0 H LEU A 29 11.841 -6.321 4.300 1.00 0.00 H new ATOM 0 HA LEU A 29 14.385 -7.414 3.543 1.00 0.00 H new ATOM 0 HB2 LEU A 29 12.150 -8.418 2.119 1.00 0.00 H new ATOM 0 HB3 LEU A 29 13.004 -7.304 1.070 1.00 0.00 H new ATOM 0 HG LEU A 29 14.629 -9.323 2.555 1.00 0.00 H new ATOM 0 HD11 LEU A 29 14.212 -11.034 0.841 1.00 0.00 H new ATOM 0 HD12 LEU A 29 12.753 -10.668 1.791 1.00 0.00 H new ATOM 0 HD13 LEU A 29 12.929 -10.016 0.144 1.00 0.00 H new ATOM 0 HD21 LEU A 29 15.946 -9.290 0.478 1.00 0.00 H new ATOM 0 HD22 LEU A 29 14.775 -8.159 -0.240 1.00 0.00 H new ATOM 0 HD23 LEU A 29 15.742 -7.662 1.168 1.00 0.00 H new ATOM 400 N ASP A 30 14.816 -5.077 3.103 1.00 0.00 N ATOM 401 CA ASP A 30 15.141 -3.690 2.819 1.00 0.00 C ATOM 402 C ASP A 30 15.307 -3.507 1.309 1.00 0.00 C ATOM 403 O ASP A 30 16.428 -3.435 0.808 1.00 0.00 O ATOM 404 CB ASP A 30 16.454 -3.283 3.491 1.00 0.00 C ATOM 405 CG ASP A 30 16.584 -1.792 3.807 1.00 0.00 C ATOM 406 OD1 ASP A 30 15.553 -1.202 4.194 1.00 0.00 O ATOM 407 OD2 ASP A 30 17.712 -1.276 3.653 1.00 0.00 O ATOM 0 H ASP A 30 15.564 -5.608 3.550 1.00 0.00 H new ATOM 0 HA ASP A 30 14.331 -3.070 3.203 1.00 0.00 H new ATOM 0 HB2 ASP A 30 16.560 -3.846 4.418 1.00 0.00 H new ATOM 0 HB3 ASP A 30 17.281 -3.575 2.844 1.00 0.00 H new ATOM 412 N LYS A 31 14.174 -3.439 0.625 1.00 0.00 N ATOM 413 CA LYS A 31 14.180 -3.267 -0.817 1.00 0.00 C ATOM 414 C LYS A 31 12.814 -2.746 -1.270 1.00 0.00 C ATOM 415 O LYS A 31 12.727 -1.705 -1.919 1.00 0.00 O ATOM 416 CB LYS A 31 14.603 -4.564 -1.510 1.00 0.00 C ATOM 417 CG LYS A 31 15.932 -4.384 -2.246 1.00 0.00 C ATOM 418 CD LYS A 31 15.712 -3.795 -3.641 1.00 0.00 C ATOM 419 CE LYS A 31 16.496 -2.494 -3.817 1.00 0.00 C ATOM 420 NZ LYS A 31 16.483 -2.068 -5.235 1.00 0.00 N ATOM 0 H LYS A 31 13.246 -3.500 1.043 1.00 0.00 H new ATOM 0 HA LYS A 31 14.919 -2.521 -1.108 1.00 0.00 H new ATOM 0 HB2 LYS A 31 14.697 -5.361 -0.772 1.00 0.00 H new ATOM 0 HB3 LYS A 31 13.831 -4.872 -2.215 1.00 0.00 H new ATOM 0 HG2 LYS A 31 16.585 -3.729 -1.670 1.00 0.00 H new ATOM 0 HG3 LYS A 31 16.439 -5.346 -2.329 1.00 0.00 H new ATOM 0 HD2 LYS A 31 16.023 -4.516 -4.397 1.00 0.00 H new ATOM 0 HD3 LYS A 31 14.650 -3.607 -3.797 1.00 0.00 H new ATOM 0 HE2 LYS A 31 16.061 -1.713 -3.193 1.00 0.00 H new ATOM 0 HE3 LYS A 31 17.524 -2.634 -3.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 17.020 -1.183 -5.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 16.919 -2.807 -5.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 15.501 -1.915 -5.542 1.00 0.00 H new ATOM 434 N SER A 32 11.782 -3.493 -0.909 1.00 0.00 N ATOM 435 CA SER A 32 10.425 -3.120 -1.269 1.00 0.00 C ATOM 436 C SER A 32 9.444 -3.624 -0.209 1.00 0.00 C ATOM 437 O SER A 32 9.315 -4.829 0.000 1.00 0.00 O ATOM 438 CB SER A 32 10.049 -3.672 -2.646 1.00 0.00 C ATOM 439 OG SER A 32 9.763 -2.633 -3.578 1.00 0.00 O ATOM 0 H SER A 32 11.858 -4.356 -0.370 1.00 0.00 H new ATOM 0 HA SER A 32 10.371 -2.032 -1.316 1.00 0.00 H new ATOM 0 HB2 SER A 32 10.866 -4.285 -3.026 1.00 0.00 H new ATOM 0 HB3 SER A 32 9.180 -4.323 -2.551 1.00 0.00 H new ATOM 0 HG SER A 32 9.065 -2.932 -4.198 1.00 0.00 H new ATOM 445 N VAL A 33 8.777 -2.675 0.433 1.00 0.00 N ATOM 446 CA VAL A 33 7.812 -3.008 1.467 1.00 0.00 C ATOM 447 C VAL A 33 6.745 -3.936 0.882 1.00 0.00 C ATOM 448 O VAL A 33 6.726 -4.185 -0.322 1.00 0.00 O ATOM 449 CB VAL A 33 7.226 -1.728 2.068 1.00 0.00 C ATOM 450 CG1 VAL A 33 6.164 -1.126 1.146 1.00 0.00 C ATOM 451 CG2 VAL A 33 6.657 -1.989 3.463 1.00 0.00 C ATOM 0 H VAL A 33 8.886 -1.676 0.257 1.00 0.00 H new ATOM 0 HA VAL A 33 8.297 -3.543 2.284 1.00 0.00 H new ATOM 0 HB VAL A 33 8.034 -1.003 2.166 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.764 -0.218 1.596 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.613 -0.886 0.182 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.358 -1.845 1.002 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.247 -1.064 3.868 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.868 -2.738 3.400 1.00 0.00 H new ATOM 0 HG23 VAL A 33 7.450 -2.351 4.117 1.00 0.00 H new ATOM 461 N GLN A 34 5.883 -4.423 1.763 1.00 0.00 N ATOM 462 CA GLN A 34 4.816 -5.319 1.350 1.00 0.00 C ATOM 463 C GLN A 34 3.469 -4.814 1.870 1.00 0.00 C ATOM 464 O GLN A 34 3.347 -4.450 3.038 1.00 0.00 O ATOM 465 CB GLN A 34 5.086 -6.749 1.822 1.00 0.00 C ATOM 466 CG GLN A 34 3.954 -7.688 1.402 1.00 0.00 C ATOM 467 CD GLN A 34 4.480 -9.102 1.150 1.00 0.00 C ATOM 468 OE1 GLN A 34 4.221 -9.567 -0.069 1.00 0.00 O flip ATOM 469 NE2 GLN A 34 5.082 -9.730 2.006 1.00 0.00 N flip ATOM 0 H GLN A 34 5.902 -4.214 2.761 1.00 0.00 H new ATOM 0 HA GLN A 34 4.781 -5.333 0.261 1.00 0.00 H new ATOM 0 HB2 GLN A 34 6.029 -7.101 1.405 1.00 0.00 H new ATOM 0 HB3 GLN A 34 5.192 -6.764 2.907 1.00 0.00 H new ATOM 0 HG2 GLN A 34 3.190 -7.713 2.179 1.00 0.00 H new ATOM 0 HG3 GLN A 34 3.477 -7.307 0.499 1.00 0.00 H new ATOM 0 HE21 GLN A 34 5.247 -9.314 2.922 1.00 0.00 H new ATOM 0 HE22 GLN A 34 5.420 -10.671 1.805 1.00 0.00 H new ATOM 478 N LEU A 35 2.490 -4.809 0.977 1.00 0.00 N ATOM 479 CA LEU A 35 1.156 -4.356 1.331 1.00 0.00 C ATOM 480 C LEU A 35 0.245 -5.569 1.530 1.00 0.00 C ATOM 481 O LEU A 35 0.069 -6.374 0.617 1.00 0.00 O ATOM 482 CB LEU A 35 0.635 -3.360 0.293 1.00 0.00 C ATOM 483 CG LEU A 35 -0.686 -2.667 0.632 1.00 0.00 C ATOM 484 CD1 LEU A 35 -1.573 -2.540 -0.608 1.00 0.00 C ATOM 485 CD2 LEU A 35 -1.403 -3.383 1.778 1.00 0.00 C ATOM 0 H LEU A 35 2.594 -5.112 0.009 1.00 0.00 H new ATOM 0 HA LEU A 35 1.177 -3.814 2.277 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.395 -2.594 0.140 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.515 -3.884 -0.655 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.463 -1.656 0.973 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.506 -2.044 -0.339 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.056 -1.953 -1.367 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.791 -3.532 -1.003 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.339 -2.870 1.999 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.613 -4.413 1.489 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.768 -3.377 2.664 1.00 0.00 H new ATOM 497 N SER A 36 -0.309 -5.662 2.730 1.00 0.00 N ATOM 498 CA SER A 36 -1.197 -6.763 3.061 1.00 0.00 C ATOM 499 C SER A 36 -2.623 -6.245 3.260 1.00 0.00 C ATOM 500 O SER A 36 -2.938 -5.670 4.301 1.00 0.00 O ATOM 501 CB SER A 36 -0.719 -7.498 4.315 1.00 0.00 C ATOM 502 OG SER A 36 0.022 -6.646 5.184 1.00 0.00 O ATOM 0 H SER A 36 -0.160 -4.993 3.485 1.00 0.00 H new ATOM 0 HA SER A 36 -1.188 -7.471 2.232 1.00 0.00 H new ATOM 0 HB2 SER A 36 -1.580 -7.901 4.849 1.00 0.00 H new ATOM 0 HB3 SER A 36 -0.099 -8.346 4.024 1.00 0.00 H new ATOM 0 HG SER A 36 0.308 -7.152 5.973 1.00 0.00 H new ATOM 508 N TRP A 37 -3.446 -6.467 2.246 1.00 0.00 N ATOM 509 CA TRP A 37 -4.831 -6.029 2.297 1.00 0.00 C ATOM 510 C TRP A 37 -5.711 -7.266 2.482 1.00 0.00 C ATOM 511 O TRP A 37 -5.263 -8.390 2.262 1.00 0.00 O ATOM 512 CB TRP A 37 -5.195 -5.217 1.053 1.00 0.00 C ATOM 513 CG TRP A 37 -5.035 -5.985 -0.261 1.00 0.00 C ATOM 514 CD1 TRP A 37 -5.916 -6.805 -0.850 1.00 0.00 C ATOM 515 CD2 TRP A 37 -3.882 -5.973 -1.129 1.00 0.00 C ATOM 516 NE1 TRP A 37 -5.419 -7.319 -2.030 1.00 0.00 N ATOM 517 CE2 TRP A 37 -4.142 -6.797 -2.205 1.00 0.00 C ATOM 518 CE3 TRP A 37 -2.661 -5.287 -1.010 1.00 0.00 C ATOM 519 CZ2 TRP A 37 -3.229 -7.013 -3.244 1.00 0.00 C ATOM 520 CZ3 TRP A 37 -1.758 -5.514 -2.056 1.00 0.00 C ATOM 521 CH2 TRP A 37 -2.005 -6.340 -3.146 1.00 0.00 C ATOM 0 H TRP A 37 -3.181 -6.944 1.384 1.00 0.00 H new ATOM 0 HA TRP A 37 -4.993 -5.357 3.140 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -6.228 -4.880 1.141 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -4.570 -4.325 1.019 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -6.893 -7.035 -0.451 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -5.900 -7.963 -2.658 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -2.437 -4.636 -0.178 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -3.456 -7.663 -4.076 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -0.803 -5.012 -2.013 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -1.256 -6.462 -3.914 1.00 0.00 H new ATOM 532 N THR A 38 -6.949 -7.018 2.885 1.00 0.00 N ATOM 533 CA THR A 38 -7.896 -8.098 3.103 1.00 0.00 C ATOM 534 C THR A 38 -9.193 -7.831 2.337 1.00 0.00 C ATOM 535 O THR A 38 -9.928 -6.898 2.659 1.00 0.00 O ATOM 536 CB THR A 38 -8.101 -8.250 4.611 1.00 0.00 C ATOM 537 OG1 THR A 38 -6.798 -8.536 5.112 1.00 0.00 O ATOM 538 CG2 THR A 38 -8.918 -9.494 4.968 1.00 0.00 C ATOM 0 H THR A 38 -7.318 -6.084 3.066 1.00 0.00 H new ATOM 0 HA THR A 38 -7.515 -9.043 2.716 1.00 0.00 H new ATOM 0 HB THR A 38 -8.600 -7.363 5.000 1.00 0.00 H new ATOM 0 HG1 THR A 38 -6.839 -8.648 6.085 1.00 0.00 H new ATOM 0 HG21 THR A 38 -9.034 -9.555 6.050 1.00 0.00 H new ATOM 0 HG22 THR A 38 -9.901 -9.431 4.500 1.00 0.00 H new ATOM 0 HG23 THR A 38 -8.402 -10.384 4.608 1.00 0.00 H new ATOM 546 N PRO A 39 -9.443 -8.690 1.312 1.00 0.00 N ATOM 547 CA PRO A 39 -10.639 -8.556 0.498 1.00 0.00 C ATOM 548 C PRO A 39 -11.875 -9.047 1.255 1.00 0.00 C ATOM 549 O PRO A 39 -11.922 -10.194 1.695 1.00 0.00 O ATOM 550 CB PRO A 39 -10.352 -9.363 -0.758 1.00 0.00 C ATOM 551 CG PRO A 39 -9.204 -10.294 -0.402 1.00 0.00 C ATOM 552 CD PRO A 39 -8.595 -9.806 0.902 1.00 0.00 C ATOM 0 HA PRO A 39 -10.863 -7.519 0.247 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -11.231 -9.928 -1.069 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -10.083 -8.710 -1.588 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -9.562 -11.318 -0.296 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -8.456 -10.298 -1.195 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -8.587 -10.594 1.655 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -7.562 -9.488 0.762 1.00 0.00 H new ATOM 560 N GLY A 40 -12.844 -8.153 1.382 1.00 0.00 N ATOM 561 CA GLY A 40 -14.077 -8.480 2.078 1.00 0.00 C ATOM 562 C GLY A 40 -14.996 -9.329 1.196 1.00 0.00 C ATOM 563 O GLY A 40 -14.526 -10.183 0.446 1.00 0.00 O ATOM 0 H GLY A 40 -12.801 -7.202 1.015 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -13.848 -9.020 2.997 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -14.590 -7.563 2.367 1.00 0.00 H new ATOM 567 N ASP A 41 -16.288 -9.064 1.316 1.00 0.00 N ATOM 568 CA ASP A 41 -17.277 -9.792 0.539 1.00 0.00 C ATOM 569 C ASP A 41 -16.983 -9.611 -0.951 1.00 0.00 C ATOM 570 O ASP A 41 -16.303 -8.664 -1.343 1.00 0.00 O ATOM 571 CB ASP A 41 -18.687 -9.266 0.810 1.00 0.00 C ATOM 572 CG ASP A 41 -19.036 -9.082 2.289 1.00 0.00 C ATOM 573 OD1 ASP A 41 -19.462 -10.085 2.901 1.00 0.00 O ATOM 574 OD2 ASP A 41 -18.869 -7.942 2.773 1.00 0.00 O ATOM 0 H ASP A 41 -16.673 -8.355 1.940 1.00 0.00 H new ATOM 0 HA ASP A 41 -17.223 -10.842 0.825 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -18.805 -8.309 0.303 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -19.407 -9.953 0.365 1.00 0.00 H new ATOM 579 N ASP A 42 -17.510 -10.534 -1.742 1.00 0.00 N ATOM 580 CA ASP A 42 -17.312 -10.488 -3.181 1.00 0.00 C ATOM 581 C ASP A 42 -18.635 -10.129 -3.862 1.00 0.00 C ATOM 582 O ASP A 42 -18.648 -9.712 -5.019 1.00 0.00 O ATOM 583 CB ASP A 42 -16.857 -11.846 -3.719 1.00 0.00 C ATOM 584 CG ASP A 42 -15.934 -12.634 -2.787 1.00 0.00 C ATOM 585 OD1 ASP A 42 -14.884 -12.066 -2.416 1.00 0.00 O ATOM 586 OD2 ASP A 42 -16.299 -13.786 -2.467 1.00 0.00 O ATOM 0 H ASP A 42 -18.074 -11.318 -1.414 1.00 0.00 H new ATOM 0 HA ASP A 42 -16.546 -9.742 -3.392 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -17.739 -12.451 -3.929 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -16.344 -11.691 -4.668 1.00 0.00 H new ATOM 591 N ASN A 43 -19.715 -10.304 -3.115 1.00 0.00 N ATOM 592 CA ASN A 43 -21.039 -10.003 -3.631 1.00 0.00 C ATOM 593 C ASN A 43 -21.321 -10.889 -4.846 1.00 0.00 C ATOM 594 O ASN A 43 -21.391 -10.400 -5.973 1.00 0.00 O ATOM 595 CB ASN A 43 -21.138 -8.543 -4.078 1.00 0.00 C ATOM 596 CG ASN A 43 -21.246 -7.607 -2.872 1.00 0.00 C ATOM 597 OD1 ASN A 43 -20.354 -7.852 -1.916 1.00 0.00 O flip ATOM 598 ND2 ASN A 43 -22.083 -6.722 -2.814 1.00 0.00 N flip ATOM 0 H ASN A 43 -19.700 -10.651 -2.156 1.00 0.00 H new ATOM 0 HA ASN A 43 -21.761 -10.186 -2.835 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -20.261 -8.280 -4.670 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -22.008 -8.414 -4.722 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -22.738 -6.589 -3.584 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -22.128 -6.115 -1.995 1.00 0.00 H new ATOM 605 N ASN A 44 -21.474 -12.178 -4.577 1.00 0.00 N ATOM 606 CA ASN A 44 -21.746 -13.136 -5.634 1.00 0.00 C ATOM 607 C ASN A 44 -20.525 -13.240 -6.549 1.00 0.00 C ATOM 608 O ASN A 44 -19.920 -14.305 -6.666 1.00 0.00 O ATOM 609 CB ASN A 44 -22.938 -12.694 -6.485 1.00 0.00 C ATOM 610 CG ASN A 44 -24.255 -13.184 -5.880 1.00 0.00 C ATOM 611 OD1 ASN A 44 -24.806 -14.202 -6.267 1.00 0.00 O ATOM 612 ND2 ASN A 44 -24.728 -12.405 -4.911 1.00 0.00 N ATOM 0 H ASN A 44 -21.415 -12.581 -3.642 1.00 0.00 H new ATOM 0 HA ASN A 44 -21.971 -14.096 -5.169 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -22.951 -11.607 -6.562 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -22.831 -13.084 -7.497 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -25.602 -12.646 -4.444 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -24.217 -11.567 -4.635 1.00 0.00 H new ATOM 619 N SER A 45 -20.197 -12.119 -7.176 1.00 0.00 N ATOM 620 CA SER A 45 -19.059 -12.071 -8.077 1.00 0.00 C ATOM 621 C SER A 45 -17.756 -12.121 -7.278 1.00 0.00 C ATOM 622 O SER A 45 -17.476 -11.225 -6.483 1.00 0.00 O ATOM 623 CB SER A 45 -19.099 -10.813 -8.948 1.00 0.00 C ATOM 624 OG SER A 45 -17.931 -10.685 -9.755 1.00 0.00 O ATOM 0 H SER A 45 -20.700 -11.237 -7.077 1.00 0.00 H new ATOM 0 HA SER A 45 -19.108 -12.938 -8.735 1.00 0.00 H new ATOM 0 HB2 SER A 45 -19.981 -10.843 -9.588 1.00 0.00 H new ATOM 0 HB3 SER A 45 -19.198 -9.934 -8.311 1.00 0.00 H new ATOM 0 HG SER A 45 -18.182 -10.363 -10.646 1.00 0.00 H new ATOM 630 N PRO A 46 -16.973 -13.207 -7.522 1.00 0.00 N ATOM 631 CA PRO A 46 -15.706 -13.386 -6.834 1.00 0.00 C ATOM 632 C PRO A 46 -14.638 -12.446 -7.397 1.00 0.00 C ATOM 633 O PRO A 46 -14.677 -12.092 -8.574 1.00 0.00 O ATOM 634 CB PRO A 46 -15.362 -14.855 -7.019 1.00 0.00 C ATOM 635 CG PRO A 46 -16.205 -15.336 -8.189 1.00 0.00 C ATOM 636 CD PRO A 46 -17.273 -14.288 -8.456 1.00 0.00 C ATOM 0 HA PRO A 46 -15.763 -13.134 -5.775 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -14.299 -14.985 -7.224 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -15.584 -15.425 -6.117 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -15.584 -15.482 -9.073 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -16.663 -16.298 -7.959 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -17.237 -13.941 -9.489 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -18.272 -14.690 -8.289 1.00 0.00 H new ATOM 644 N ILE A 47 -13.711 -12.068 -6.530 1.00 0.00 N ATOM 645 CA ILE A 47 -12.634 -11.176 -6.926 1.00 0.00 C ATOM 646 C ILE A 47 -11.773 -11.863 -7.987 1.00 0.00 C ATOM 647 O ILE A 47 -11.567 -13.075 -7.936 1.00 0.00 O ATOM 648 CB ILE A 47 -11.845 -10.711 -5.700 1.00 0.00 C ATOM 649 CG1 ILE A 47 -11.907 -9.189 -5.554 1.00 0.00 C ATOM 650 CG2 ILE A 47 -10.405 -11.224 -5.748 1.00 0.00 C ATOM 651 CD1 ILE A 47 -11.295 -8.496 -6.772 1.00 0.00 C ATOM 0 H ILE A 47 -13.683 -12.363 -5.554 1.00 0.00 H new ATOM 0 HA ILE A 47 -13.037 -10.270 -7.379 1.00 0.00 H new ATOM 0 HB ILE A 47 -12.309 -11.139 -4.812 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -12.943 -8.874 -5.434 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -11.375 -8.885 -4.653 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -9.866 -10.879 -4.865 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -10.408 -12.314 -5.769 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -9.913 -10.845 -6.644 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -11.352 -7.415 -6.642 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -10.252 -8.795 -6.875 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -11.844 -8.783 -7.668 1.00 0.00 H new ATOM 663 N THR A 48 -11.293 -11.060 -8.925 1.00 0.00 N ATOM 664 CA THR A 48 -10.458 -11.576 -9.997 1.00 0.00 C ATOM 665 C THR A 48 -9.110 -10.853 -10.018 1.00 0.00 C ATOM 666 O THR A 48 -8.082 -11.458 -10.320 1.00 0.00 O ATOM 667 CB THR A 48 -11.238 -11.445 -11.307 1.00 0.00 C ATOM 668 OG1 THR A 48 -11.651 -10.082 -11.331 1.00 0.00 O ATOM 669 CG2 THR A 48 -12.550 -12.232 -11.289 1.00 0.00 C ATOM 0 H THR A 48 -11.466 -10.056 -8.965 1.00 0.00 H new ATOM 0 HA THR A 48 -10.224 -12.630 -9.844 1.00 0.00 H new ATOM 0 HB THR A 48 -10.618 -11.792 -12.134 1.00 0.00 H new ATOM 0 HG1 THR A 48 -11.367 -9.639 -10.504 1.00 0.00 H new ATOM 0 HG21 THR A 48 -13.064 -12.105 -12.242 1.00 0.00 H new ATOM 0 HG22 THR A 48 -12.338 -13.289 -11.129 1.00 0.00 H new ATOM 0 HG23 THR A 48 -13.184 -11.863 -10.483 1.00 0.00 H new ATOM 677 N LYS A 49 -9.157 -9.570 -9.691 1.00 0.00 N ATOM 678 CA LYS A 49 -7.952 -8.759 -9.669 1.00 0.00 C ATOM 679 C LYS A 49 -8.040 -7.755 -8.517 1.00 0.00 C ATOM 680 O LYS A 49 -9.129 -7.455 -8.032 1.00 0.00 O ATOM 681 CB LYS A 49 -7.717 -8.110 -11.034 1.00 0.00 C ATOM 682 CG LYS A 49 -7.122 -6.709 -10.880 1.00 0.00 C ATOM 683 CD LYS A 49 -6.784 -6.103 -12.244 1.00 0.00 C ATOM 684 CE LYS A 49 -8.051 -5.866 -13.067 1.00 0.00 C ATOM 685 NZ LYS A 49 -7.888 -6.404 -14.436 1.00 0.00 N ATOM 0 H LYS A 49 -10.011 -9.072 -9.439 1.00 0.00 H new ATOM 0 HA LYS A 49 -7.077 -9.382 -9.484 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.045 -8.732 -11.625 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -8.659 -8.051 -11.580 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -7.829 -6.065 -10.357 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -6.222 -6.758 -10.267 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -6.254 -5.161 -12.106 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -6.113 -6.770 -12.786 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -8.902 -6.344 -12.581 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -8.268 -4.799 -13.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -8.757 -6.235 -14.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -7.089 -5.930 -14.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -7.703 -7.426 -14.388 1.00 0.00 H new ATOM 699 N PHE A 50 -6.877 -7.263 -8.113 1.00 0.00 N ATOM 700 CA PHE A 50 -6.809 -6.299 -7.028 1.00 0.00 C ATOM 701 C PHE A 50 -5.861 -5.149 -7.375 1.00 0.00 C ATOM 702 O PHE A 50 -4.644 -5.327 -7.393 1.00 0.00 O ATOM 703 CB PHE A 50 -6.266 -7.041 -5.805 1.00 0.00 C ATOM 704 CG PHE A 50 -7.321 -7.854 -5.052 1.00 0.00 C ATOM 705 CD1 PHE A 50 -8.418 -7.235 -4.538 1.00 0.00 C ATOM 706 CD2 PHE A 50 -7.162 -9.195 -4.896 1.00 0.00 C ATOM 707 CE1 PHE A 50 -9.396 -7.990 -3.839 1.00 0.00 C ATOM 708 CE2 PHE A 50 -8.140 -9.950 -4.196 1.00 0.00 C ATOM 709 CZ PHE A 50 -9.237 -9.331 -3.683 1.00 0.00 C ATOM 0 H PHE A 50 -5.975 -7.514 -8.518 1.00 0.00 H new ATOM 0 HA PHE A 50 -7.797 -5.876 -6.843 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -5.466 -7.709 -6.124 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -5.823 -6.317 -5.121 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -8.545 -6.170 -4.662 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -6.291 -9.686 -5.305 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -10.267 -7.499 -3.431 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -8.013 -11.015 -4.071 1.00 0.00 H new ATOM 0 HZ PHE A 50 -9.982 -9.905 -3.152 1.00 0.00 H new ATOM 719 N ILE A 51 -6.455 -3.995 -7.642 1.00 0.00 N ATOM 720 CA ILE A 51 -5.679 -2.817 -7.987 1.00 0.00 C ATOM 721 C ILE A 51 -5.318 -2.057 -6.709 1.00 0.00 C ATOM 722 O ILE A 51 -6.044 -2.121 -5.718 1.00 0.00 O ATOM 723 CB ILE A 51 -6.425 -1.967 -9.017 1.00 0.00 C ATOM 724 CG1 ILE A 51 -6.610 -2.732 -10.329 1.00 0.00 C ATOM 725 CG2 ILE A 51 -5.724 -0.624 -9.231 1.00 0.00 C ATOM 726 CD1 ILE A 51 -8.094 -2.920 -10.650 1.00 0.00 C ATOM 0 H ILE A 51 -7.465 -3.851 -7.626 1.00 0.00 H new ATOM 0 HA ILE A 51 -4.742 -3.105 -8.463 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.420 -1.752 -8.626 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -6.124 -2.191 -11.141 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.124 -3.705 -10.258 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.275 -0.039 -9.968 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -5.688 -0.078 -8.288 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -4.709 -0.796 -9.590 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -8.197 -3.467 -11.587 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -8.571 -3.482 -9.848 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -8.572 -1.945 -10.744 1.00 0.00 H new ATOM 738 N ILE A 52 -4.195 -1.356 -6.773 1.00 0.00 N ATOM 739 CA ILE A 52 -3.729 -0.585 -5.633 1.00 0.00 C ATOM 740 C ILE A 52 -3.460 0.856 -6.073 1.00 0.00 C ATOM 741 O ILE A 52 -3.252 1.119 -7.256 1.00 0.00 O ATOM 742 CB ILE A 52 -2.522 -1.265 -4.984 1.00 0.00 C ATOM 743 CG1 ILE A 52 -2.934 -2.558 -4.279 1.00 0.00 C ATOM 744 CG2 ILE A 52 -1.793 -0.305 -4.041 1.00 0.00 C ATOM 745 CD1 ILE A 52 -2.307 -3.777 -4.958 1.00 0.00 C ATOM 0 H ILE A 52 -3.595 -1.306 -7.596 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.497 -0.545 -4.860 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.820 -1.538 -5.772 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.626 -2.521 -3.234 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -4.020 -2.651 -4.288 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.939 -0.813 -3.593 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.445 0.562 -4.602 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.475 0.021 -3.255 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -2.616 -4.683 -4.437 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.637 -3.825 -5.996 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.221 -3.693 -4.926 1.00 0.00 H new ATOM 757 N GLU A 53 -3.474 1.751 -5.096 1.00 0.00 N ATOM 758 CA GLU A 53 -3.234 3.158 -5.368 1.00 0.00 C ATOM 759 C GLU A 53 -2.707 3.859 -4.114 1.00 0.00 C ATOM 760 O GLU A 53 -2.938 3.397 -2.997 1.00 0.00 O ATOM 761 CB GLU A 53 -4.503 3.841 -5.884 1.00 0.00 C ATOM 762 CG GLU A 53 -4.717 3.547 -7.370 1.00 0.00 C ATOM 763 CD GLU A 53 -5.803 4.451 -7.957 1.00 0.00 C ATOM 764 OE1 GLU A 53 -5.838 5.633 -7.551 1.00 0.00 O ATOM 765 OE2 GLU A 53 -6.574 3.939 -8.798 1.00 0.00 O ATOM 0 H GLU A 53 -3.648 1.529 -4.116 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.477 3.233 -6.148 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.365 3.495 -5.313 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.430 4.917 -5.729 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.783 3.696 -7.912 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.999 2.502 -7.501 1.00 0.00 H new ATOM 772 N TYR A 54 -2.008 4.961 -4.340 1.00 0.00 N ATOM 773 CA TYR A 54 -1.446 5.730 -3.242 1.00 0.00 C ATOM 774 C TYR A 54 -1.537 7.231 -3.521 1.00 0.00 C ATOM 775 O TYR A 54 -1.639 7.647 -4.674 1.00 0.00 O ATOM 776 CB TYR A 54 0.028 5.328 -3.157 1.00 0.00 C ATOM 777 CG TYR A 54 0.921 6.016 -4.191 1.00 0.00 C ATOM 778 CD1 TYR A 54 1.054 5.480 -5.455 1.00 0.00 C ATOM 779 CD2 TYR A 54 1.594 7.175 -3.858 1.00 0.00 C ATOM 780 CE1 TYR A 54 1.895 6.128 -6.427 1.00 0.00 C ATOM 781 CE2 TYR A 54 2.435 7.823 -4.831 1.00 0.00 C ATOM 782 CZ TYR A 54 2.544 7.268 -6.067 1.00 0.00 C ATOM 783 OH TYR A 54 3.339 7.880 -6.986 1.00 0.00 O ATOM 0 H TYR A 54 -1.818 5.340 -5.268 1.00 0.00 H new ATOM 0 HA TYR A 54 -1.988 5.531 -2.317 1.00 0.00 H new ATOM 0 HB2 TYR A 54 0.400 5.560 -2.159 1.00 0.00 H new ATOM 0 HB3 TYR A 54 0.108 4.248 -3.284 1.00 0.00 H new ATOM 0 HD1 TYR A 54 0.527 4.574 -5.715 1.00 0.00 H new ATOM 0 HD2 TYR A 54 1.490 7.595 -2.869 1.00 0.00 H new ATOM 0 HE1 TYR A 54 2.008 5.718 -7.420 1.00 0.00 H new ATOM 0 HE2 TYR A 54 2.967 8.730 -4.584 1.00 0.00 H new ATOM 0 HH TYR A 54 3.738 8.683 -6.591 1.00 0.00 H new ATOM 793 N GLU A 55 -1.498 8.004 -2.445 1.00 0.00 N ATOM 794 CA GLU A 55 -1.575 9.450 -2.559 1.00 0.00 C ATOM 795 C GLU A 55 -0.364 10.101 -1.888 1.00 0.00 C ATOM 796 O GLU A 55 0.053 9.681 -0.809 1.00 0.00 O ATOM 797 CB GLU A 55 -2.881 9.979 -1.964 1.00 0.00 C ATOM 798 CG GLU A 55 -3.018 9.572 -0.495 1.00 0.00 C ATOM 799 CD GLU A 55 -3.053 10.803 0.413 1.00 0.00 C ATOM 800 OE1 GLU A 55 -1.953 11.275 0.771 1.00 0.00 O ATOM 801 OE2 GLU A 55 -4.179 11.244 0.729 1.00 0.00 O ATOM 0 H GLU A 55 -1.414 7.655 -1.490 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.564 9.712 -3.617 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.910 11.065 -2.048 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.727 9.593 -2.533 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -3.929 8.989 -0.359 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.183 8.930 -0.212 1.00 0.00 H new ATOM 808 N ASP A 56 0.168 11.116 -2.553 1.00 0.00 N ATOM 809 CA ASP A 56 1.323 11.829 -2.034 1.00 0.00 C ATOM 810 C ASP A 56 0.849 12.978 -1.143 1.00 0.00 C ATOM 811 O ASP A 56 0.616 14.086 -1.624 1.00 0.00 O ATOM 812 CB ASP A 56 2.158 12.424 -3.169 1.00 0.00 C ATOM 813 CG ASP A 56 1.961 11.761 -4.534 1.00 0.00 C ATOM 814 OD1 ASP A 56 0.785 11.629 -4.936 1.00 0.00 O ATOM 815 OD2 ASP A 56 2.991 11.401 -5.144 1.00 0.00 O ATOM 0 H ASP A 56 -0.180 11.462 -3.447 1.00 0.00 H new ATOM 0 HA ASP A 56 1.932 11.121 -1.471 1.00 0.00 H new ATOM 0 HB2 ASP A 56 1.919 13.484 -3.259 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.212 12.357 -2.898 1.00 0.00 H new ATOM 820 N ALA A 57 0.720 12.675 0.140 1.00 0.00 N ATOM 821 CA ALA A 57 0.278 13.670 1.103 1.00 0.00 C ATOM 822 C ALA A 57 1.364 14.736 1.264 1.00 0.00 C ATOM 823 O ALA A 57 1.068 15.884 1.592 1.00 0.00 O ATOM 824 CB ALA A 57 -0.064 12.982 2.426 1.00 0.00 C ATOM 0 H ALA A 57 0.914 11.755 0.535 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.625 14.170 0.752 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -0.396 13.728 3.149 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -0.860 12.255 2.263 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.820 12.472 2.810 1.00 0.00 H new ATOM 830 N MET A 58 2.599 14.318 1.026 1.00 0.00 N ATOM 831 CA MET A 58 3.730 15.222 1.140 1.00 0.00 C ATOM 832 C MET A 58 3.744 16.231 -0.010 1.00 0.00 C ATOM 833 O MET A 58 4.185 17.366 0.161 1.00 0.00 O ATOM 834 CB MET A 58 5.031 14.416 1.129 1.00 0.00 C ATOM 835 CG MET A 58 6.247 15.340 1.034 1.00 0.00 C ATOM 836 SD MET A 58 7.738 14.424 1.383 1.00 0.00 S ATOM 837 CE MET A 58 7.601 14.273 3.156 1.00 0.00 C ATOM 0 H MET A 58 2.841 13.365 0.755 1.00 0.00 H new ATOM 0 HA MET A 58 3.640 15.770 2.078 1.00 0.00 H new ATOM 0 HB2 MET A 58 5.097 13.813 2.035 1.00 0.00 H new ATOM 0 HB3 MET A 58 5.028 13.725 0.286 1.00 0.00 H new ATOM 0 HG2 MET A 58 6.304 15.778 0.038 1.00 0.00 H new ATOM 0 HG3 MET A 58 6.143 16.165 1.739 1.00 0.00 H new ATOM 0 HE1 MET A 58 8.588 14.375 3.607 1.00 0.00 H new ATOM 0 HE2 MET A 58 6.945 15.055 3.538 1.00 0.00 H new ATOM 0 HE3 MET A 58 7.187 13.297 3.407 1.00 0.00 H new ATOM 847 N HIS A 59 3.255 15.780 -1.156 1.00 0.00 N ATOM 848 CA HIS A 59 3.206 16.630 -2.334 1.00 0.00 C ATOM 849 C HIS A 59 1.776 17.133 -2.544 1.00 0.00 C ATOM 850 O HIS A 59 1.505 18.323 -2.392 1.00 0.00 O ATOM 851 CB HIS A 59 3.762 15.897 -3.556 1.00 0.00 C ATOM 852 CG HIS A 59 5.191 15.436 -3.398 1.00 0.00 C ATOM 853 ND1 HIS A 59 5.531 14.250 -2.771 1.00 0.00 N ATOM 854 CD2 HIS A 59 6.362 16.013 -3.793 1.00 0.00 C ATOM 855 CE1 HIS A 59 6.850 14.129 -2.792 1.00 0.00 C ATOM 856 NE2 HIS A 59 7.364 15.223 -3.426 1.00 0.00 N ATOM 0 H HIS A 59 2.889 14.838 -1.294 1.00 0.00 H new ATOM 0 HA HIS A 59 3.843 17.502 -2.185 1.00 0.00 H new ATOM 0 HB2 HIS A 59 3.133 15.032 -3.765 1.00 0.00 H new ATOM 0 HB3 HIS A 59 3.697 16.555 -4.422 1.00 0.00 H new ATOM 0 HD2 HIS A 59 6.458 16.953 -4.316 1.00 0.00 H new ATOM 0 HE1 HIS A 59 7.419 13.309 -2.380 1.00 0.00 H new ATOM 0 HE2 HIS A 59 8.354 15.404 -3.591 1.00 0.00 H new ATOM 864 N LYS A 60 0.900 16.202 -2.890 1.00 0.00 N ATOM 865 CA LYS A 60 -0.495 16.536 -3.122 1.00 0.00 C ATOM 866 C LYS A 60 -1.384 15.455 -2.504 1.00 0.00 C ATOM 867 O LYS A 60 -1.524 14.368 -3.062 1.00 0.00 O ATOM 868 CB LYS A 60 -0.750 16.764 -4.614 1.00 0.00 C ATOM 869 CG LYS A 60 -0.528 18.230 -4.991 1.00 0.00 C ATOM 870 CD LYS A 60 -1.861 18.948 -5.208 1.00 0.00 C ATOM 871 CE LYS A 60 -2.486 18.552 -6.547 1.00 0.00 C ATOM 872 NZ LYS A 60 -2.258 19.608 -7.558 1.00 0.00 N ATOM 0 H LYS A 60 1.129 15.216 -3.015 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.748 17.476 -2.631 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -0.086 16.129 -5.201 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -1.771 16.472 -4.861 1.00 0.00 H new ATOM 0 HG2 LYS A 60 0.035 18.731 -4.203 1.00 0.00 H new ATOM 0 HG3 LYS A 60 0.073 18.289 -5.899 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -2.546 18.703 -4.396 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -1.706 20.027 -5.180 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -2.056 17.612 -6.892 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -3.556 18.386 -6.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -2.689 19.323 -8.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -2.689 20.497 -7.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -1.236 19.747 -7.691 1.00 0.00 H new ATOM 886 N PRO A 61 -1.977 15.800 -1.330 1.00 0.00 N ATOM 887 CA PRO A 61 -2.848 14.872 -0.630 1.00 0.00 C ATOM 888 C PRO A 61 -4.207 14.766 -1.324 1.00 0.00 C ATOM 889 O PRO A 61 -4.847 15.779 -1.602 1.00 0.00 O ATOM 890 CB PRO A 61 -2.945 15.416 0.786 1.00 0.00 C ATOM 891 CG PRO A 61 -2.508 16.869 0.706 1.00 0.00 C ATOM 892 CD PRO A 61 -1.833 17.079 -0.640 1.00 0.00 C ATOM 0 HA PRO A 61 -2.461 13.853 -0.626 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -3.963 15.335 1.166 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -2.305 14.853 1.465 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -3.367 17.532 0.810 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -1.821 17.107 1.519 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -2.307 17.886 -1.199 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -0.784 17.348 -0.519 1.00 0.00 H new ATOM 900 N GLY A 62 -4.608 13.530 -1.585 1.00 0.00 N ATOM 901 CA GLY A 62 -5.879 13.279 -2.242 1.00 0.00 C ATOM 902 C GLY A 62 -5.669 12.810 -3.683 1.00 0.00 C ATOM 903 O GLY A 62 -6.572 12.240 -4.292 1.00 0.00 O ATOM 0 H GLY A 62 -4.075 12.692 -1.353 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.436 12.524 -1.688 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -6.481 14.188 -2.236 1.00 0.00 H new ATOM 907 N LEU A 63 -4.471 13.069 -4.186 1.00 0.00 N ATOM 908 CA LEU A 63 -4.130 12.682 -5.545 1.00 0.00 C ATOM 909 C LEU A 63 -3.643 11.231 -5.549 1.00 0.00 C ATOM 910 O LEU A 63 -2.502 10.955 -5.181 1.00 0.00 O ATOM 911 CB LEU A 63 -3.129 13.669 -6.148 1.00 0.00 C ATOM 912 CG LEU A 63 -3.020 13.665 -7.675 1.00 0.00 C ATOM 913 CD1 LEU A 63 -4.294 14.219 -8.317 1.00 0.00 C ATOM 914 CD2 LEU A 63 -1.771 14.416 -8.137 1.00 0.00 C ATOM 0 H LEU A 63 -3.724 13.542 -3.677 1.00 0.00 H new ATOM 0 HA LEU A 63 -5.010 12.726 -6.187 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -3.401 14.674 -5.826 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.144 13.456 -5.733 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.915 12.632 -8.008 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.190 14.205 -9.402 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.145 13.604 -8.026 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.455 15.243 -7.981 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.718 14.398 -9.226 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -1.820 15.449 -7.793 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.884 13.937 -7.722 1.00 0.00 H new ATOM 926 N TRP A 64 -4.531 10.344 -5.971 1.00 0.00 N ATOM 927 CA TRP A 64 -4.206 8.929 -6.029 1.00 0.00 C ATOM 928 C TRP A 64 -3.674 8.622 -7.430 1.00 0.00 C ATOM 929 O TRP A 64 -4.132 9.203 -8.413 1.00 0.00 O ATOM 930 CB TRP A 64 -5.414 8.072 -5.648 1.00 0.00 C ATOM 931 CG TRP A 64 -6.058 8.461 -4.315 1.00 0.00 C ATOM 932 CD1 TRP A 64 -7.001 9.386 -4.093 1.00 0.00 C ATOM 933 CD2 TRP A 64 -5.764 7.894 -3.021 1.00 0.00 C ATOM 934 NE1 TRP A 64 -7.336 9.457 -2.756 1.00 0.00 N ATOM 935 CE2 TRP A 64 -6.560 8.520 -2.083 1.00 0.00 C ATOM 936 CE3 TRP A 64 -4.857 6.884 -2.654 1.00 0.00 C ATOM 937 CZ2 TRP A 64 -6.528 8.208 -0.719 1.00 0.00 C ATOM 938 CZ3 TRP A 64 -4.837 6.584 -1.287 1.00 0.00 C ATOM 939 CH2 TRP A 64 -5.632 7.205 -0.331 1.00 0.00 C ATOM 0 H TRP A 64 -5.476 10.577 -6.276 1.00 0.00 H new ATOM 0 HA TRP A 64 -3.433 8.682 -5.301 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -6.163 8.146 -6.437 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -5.105 7.028 -5.599 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -7.444 9.999 -4.864 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -8.026 10.082 -2.339 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -4.226 6.380 -3.370 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -7.160 8.714 -0.004 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -4.156 5.816 -0.952 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -5.559 6.915 0.707 1.00 0.00 H new ATOM 950 N HIS A 65 -2.714 7.711 -7.478 1.00 0.00 N ATOM 951 CA HIS A 65 -2.115 7.320 -8.743 1.00 0.00 C ATOM 952 C HIS A 65 -2.120 5.795 -8.865 1.00 0.00 C ATOM 953 O HIS A 65 -2.113 5.089 -7.858 1.00 0.00 O ATOM 954 CB HIS A 65 -0.716 7.922 -8.890 1.00 0.00 C ATOM 955 CG HIS A 65 -0.683 9.429 -8.805 1.00 0.00 C ATOM 956 ND1 HIS A 65 -1.010 10.247 -9.872 1.00 0.00 N ATOM 957 CD2 HIS A 65 -0.360 10.256 -7.770 1.00 0.00 C ATOM 958 CE1 HIS A 65 -0.885 11.509 -9.486 1.00 0.00 C ATOM 959 NE2 HIS A 65 -0.482 11.512 -8.183 1.00 0.00 N ATOM 0 H HIS A 65 -2.336 7.232 -6.661 1.00 0.00 H new ATOM 0 HA HIS A 65 -2.707 7.717 -9.568 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -0.071 7.511 -8.113 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -0.298 7.613 -9.848 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -1.298 9.932 -10.798 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -0.056 9.943 -6.782 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -1.070 12.381 -10.096 1.00 0.00 H new ATOM 967 N HIS A 66 -2.133 5.332 -10.106 1.00 0.00 N ATOM 968 CA HIS A 66 -2.140 3.904 -10.372 1.00 0.00 C ATOM 969 C HIS A 66 -0.808 3.294 -9.931 1.00 0.00 C ATOM 970 O HIS A 66 0.217 3.496 -10.579 1.00 0.00 O ATOM 971 CB HIS A 66 -2.460 3.627 -11.842 1.00 0.00 C ATOM 972 CG HIS A 66 -3.122 2.292 -12.086 1.00 0.00 C ATOM 973 ND1 HIS A 66 -2.616 1.103 -11.589 1.00 0.00 N ATOM 974 CD2 HIS A 66 -4.254 1.970 -12.776 1.00 0.00 C ATOM 975 CE1 HIS A 66 -3.415 0.117 -11.971 1.00 0.00 C ATOM 976 NE2 HIS A 66 -4.429 0.656 -12.707 1.00 0.00 N ATOM 0 H HIS A 66 -2.139 5.921 -10.939 1.00 0.00 H new ATOM 0 HA HIS A 66 -2.929 3.426 -9.792 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -3.111 4.417 -12.217 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -1.537 3.674 -12.419 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -4.899 2.666 -13.291 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -3.286 -0.930 -11.740 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -5.195 0.135 -13.134 1.00 0.00 H new ATOM 984 N GLN A 67 -0.867 2.559 -8.830 1.00 0.00 N ATOM 985 CA GLN A 67 0.321 1.917 -8.294 1.00 0.00 C ATOM 986 C GLN A 67 0.577 0.590 -9.010 1.00 0.00 C ATOM 987 O GLN A 67 1.454 0.502 -9.868 1.00 0.00 O ATOM 988 CB GLN A 67 0.199 1.711 -6.783 1.00 0.00 C ATOM 989 CG GLN A 67 1.454 1.043 -6.217 1.00 0.00 C ATOM 990 CD GLN A 67 2.226 2.005 -5.313 1.00 0.00 C ATOM 991 OE1 GLN A 67 2.683 3.058 -5.728 1.00 0.00 O ATOM 992 NE2 GLN A 67 2.347 1.587 -4.056 1.00 0.00 N ATOM 0 H GLN A 67 -1.719 2.394 -8.295 1.00 0.00 H new ATOM 0 HA GLN A 67 1.174 2.572 -8.470 1.00 0.00 H new ATOM 0 HB2 GLN A 67 0.042 2.672 -6.293 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.674 1.096 -6.566 1.00 0.00 H new ATOM 0 HG2 GLN A 67 1.174 0.154 -5.653 1.00 0.00 H new ATOM 0 HG3 GLN A 67 2.095 0.713 -7.035 1.00 0.00 H new ATOM 0 HE21 GLN A 67 1.941 0.695 -3.774 1.00 0.00 H new ATOM 0 HE22 GLN A 67 2.846 2.158 -3.374 1.00 0.00 H new ATOM 1001 N THR A 68 -0.205 -0.410 -8.631 1.00 0.00 N ATOM 1002 CA THR A 68 -0.075 -1.729 -9.226 1.00 0.00 C ATOM 1003 C THR A 68 -1.259 -2.613 -8.830 1.00 0.00 C ATOM 1004 O THR A 68 -1.949 -2.330 -7.852 1.00 0.00 O ATOM 1005 CB THR A 68 1.279 -2.305 -8.808 1.00 0.00 C ATOM 1006 OG1 THR A 68 1.383 -3.520 -9.545 1.00 0.00 O ATOM 1007 CG2 THR A 68 1.298 -2.754 -7.345 1.00 0.00 C ATOM 0 H THR A 68 -0.931 -0.333 -7.919 1.00 0.00 H new ATOM 0 HA THR A 68 -0.100 -1.675 -10.314 1.00 0.00 H new ATOM 0 HB THR A 68 2.056 -1.557 -8.969 1.00 0.00 H new ATOM 0 HG1 THR A 68 2.234 -3.958 -9.335 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.282 -3.155 -7.100 1.00 0.00 H new ATOM 0 HG22 THR A 68 1.082 -1.902 -6.700 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.543 -3.525 -7.191 1.00 0.00 H new ATOM 1015 N GLU A 69 -1.458 -3.666 -9.610 1.00 0.00 N ATOM 1016 CA GLU A 69 -2.547 -4.592 -9.352 1.00 0.00 C ATOM 1017 C GLU A 69 -2.020 -6.027 -9.290 1.00 0.00 C ATOM 1018 O GLU A 69 -0.880 -6.290 -9.671 1.00 0.00 O ATOM 1019 CB GLU A 69 -3.644 -4.457 -10.410 1.00 0.00 C ATOM 1020 CG GLU A 69 -3.070 -4.619 -11.819 1.00 0.00 C ATOM 1021 CD GLU A 69 -2.616 -6.060 -12.064 1.00 0.00 C ATOM 1022 OE1 GLU A 69 -3.481 -6.955 -11.950 1.00 0.00 O ATOM 1023 OE2 GLU A 69 -1.414 -6.233 -12.359 1.00 0.00 O ATOM 0 H GLU A 69 -0.884 -3.898 -10.420 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.987 -4.345 -8.386 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.414 -5.209 -10.239 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.124 -3.483 -10.319 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.823 -4.341 -12.556 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.227 -3.941 -11.952 1.00 0.00 H new ATOM 1030 N VAL A 70 -2.874 -6.917 -8.807 1.00 0.00 N ATOM 1031 CA VAL A 70 -2.508 -8.319 -8.689 1.00 0.00 C ATOM 1032 C VAL A 70 -3.727 -9.188 -9.004 1.00 0.00 C ATOM 1033 O VAL A 70 -4.796 -8.671 -9.327 1.00 0.00 O ATOM 1034 CB VAL A 70 -1.920 -8.592 -7.303 1.00 0.00 C ATOM 1035 CG1 VAL A 70 -0.392 -8.650 -7.357 1.00 0.00 C ATOM 1036 CG2 VAL A 70 -2.394 -7.547 -6.291 1.00 0.00 C ATOM 0 H VAL A 70 -3.819 -6.695 -8.493 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.732 -8.573 -9.411 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.280 -9.566 -6.972 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.000 -8.845 -6.359 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -0.082 -9.448 -8.031 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.004 -7.698 -7.719 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.962 -7.764 -5.314 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -2.077 -6.556 -6.616 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.481 -7.575 -6.221 1.00 0.00 H new ATOM 1046 N SER A 71 -3.527 -10.493 -8.898 1.00 0.00 N ATOM 1047 CA SER A 71 -4.597 -11.439 -9.167 1.00 0.00 C ATOM 1048 C SER A 71 -5.643 -11.375 -8.052 1.00 0.00 C ATOM 1049 O SER A 71 -5.423 -10.738 -7.024 1.00 0.00 O ATOM 1050 CB SER A 71 -4.052 -12.862 -9.303 1.00 0.00 C ATOM 1051 OG SER A 71 -4.324 -13.417 -10.587 1.00 0.00 O ATOM 0 H SER A 71 -2.640 -10.918 -8.629 1.00 0.00 H new ATOM 0 HA SER A 71 -5.066 -11.167 -10.113 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.976 -12.856 -9.131 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.494 -13.495 -8.533 1.00 0.00 H new ATOM 0 HG SER A 71 -3.959 -14.325 -10.635 1.00 0.00 H new ATOM 1057 N GLY A 72 -6.761 -12.045 -8.295 1.00 0.00 N ATOM 1058 CA GLY A 72 -7.842 -12.073 -7.325 1.00 0.00 C ATOM 1059 C GLY A 72 -7.675 -13.240 -6.351 1.00 0.00 C ATOM 1060 O GLY A 72 -8.635 -13.656 -5.704 1.00 0.00 O ATOM 0 H GLY A 72 -6.941 -12.572 -9.149 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -7.864 -11.134 -6.772 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -8.797 -12.161 -7.842 1.00 0.00 H new ATOM 1064 N THR A 73 -6.448 -13.736 -6.276 1.00 0.00 N ATOM 1065 CA THR A 73 -6.143 -14.847 -5.391 1.00 0.00 C ATOM 1066 C THR A 73 -5.148 -14.412 -4.313 1.00 0.00 C ATOM 1067 O THR A 73 -5.234 -14.856 -3.169 1.00 0.00 O ATOM 1068 CB THR A 73 -5.640 -16.010 -6.249 1.00 0.00 C ATOM 1069 OG1 THR A 73 -6.782 -16.848 -6.401 1.00 0.00 O ATOM 1070 CG2 THR A 73 -4.629 -16.888 -5.509 1.00 0.00 C ATOM 0 H THR A 73 -5.654 -13.389 -6.814 1.00 0.00 H new ATOM 0 HA THR A 73 -7.031 -15.181 -4.854 1.00 0.00 H new ATOM 0 HB THR A 73 -5.184 -15.620 -7.159 1.00 0.00 H new ATOM 0 HG1 THR A 73 -6.546 -17.627 -6.947 1.00 0.00 H new ATOM 0 HG21 THR A 73 -4.304 -17.698 -6.162 1.00 0.00 H new ATOM 0 HG22 THR A 73 -3.767 -16.286 -5.220 1.00 0.00 H new ATOM 0 HG23 THR A 73 -5.095 -17.306 -4.617 1.00 0.00 H new ATOM 1078 N GLN A 74 -4.227 -13.549 -4.716 1.00 0.00 N ATOM 1079 CA GLN A 74 -3.217 -13.050 -3.799 1.00 0.00 C ATOM 1080 C GLN A 74 -3.759 -11.855 -3.011 1.00 0.00 C ATOM 1081 O GLN A 74 -4.836 -11.344 -3.315 1.00 0.00 O ATOM 1082 CB GLN A 74 -1.934 -12.678 -4.545 1.00 0.00 C ATOM 1083 CG GLN A 74 -2.059 -11.299 -5.196 1.00 0.00 C ATOM 1084 CD GLN A 74 -1.083 -10.304 -4.564 1.00 0.00 C ATOM 1085 OE1 GLN A 74 -1.442 -9.484 -3.736 1.00 0.00 O ATOM 1086 NE2 GLN A 74 0.168 -10.422 -5.001 1.00 0.00 N ATOM 0 H GLN A 74 -4.159 -13.183 -5.666 1.00 0.00 H new ATOM 0 HA GLN A 74 -2.971 -13.844 -3.094 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -1.092 -12.682 -3.853 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -1.723 -13.427 -5.308 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -1.862 -11.378 -6.265 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -3.080 -10.932 -5.087 1.00 0.00 H new ATOM 0 HE21 GLN A 74 0.401 -11.131 -5.696 1.00 0.00 H new ATOM 0 HE22 GLN A 74 0.895 -9.803 -4.641 1.00 0.00 H new ATOM 1095 N THR A 75 -2.988 -11.445 -2.015 1.00 0.00 N ATOM 1096 CA THR A 75 -3.378 -10.320 -1.182 1.00 0.00 C ATOM 1097 C THR A 75 -2.140 -9.623 -0.614 1.00 0.00 C ATOM 1098 O THR A 75 -2.227 -8.913 0.387 1.00 0.00 O ATOM 1099 CB THR A 75 -4.331 -10.838 -0.103 1.00 0.00 C ATOM 1100 OG1 THR A 75 -3.717 -12.039 0.356 1.00 0.00 O ATOM 1101 CG2 THR A 75 -5.671 -11.302 -0.680 1.00 0.00 C ATOM 0 H THR A 75 -2.095 -11.871 -1.766 1.00 0.00 H new ATOM 0 HA THR A 75 -3.903 -9.561 -1.763 1.00 0.00 H new ATOM 0 HB THR A 75 -4.504 -10.054 0.635 1.00 0.00 H new ATOM 0 HG1 THR A 75 -4.269 -12.440 1.059 1.00 0.00 H new ATOM 0 HG21 THR A 75 -6.310 -11.660 0.127 1.00 0.00 H new ATOM 0 HG22 THR A 75 -6.158 -10.468 -1.186 1.00 0.00 H new ATOM 0 HG23 THR A 75 -5.500 -12.109 -1.393 1.00 0.00 H new ATOM 1109 N THR A 76 -1.016 -9.850 -1.278 1.00 0.00 N ATOM 1110 CA THR A 76 0.238 -9.252 -0.852 1.00 0.00 C ATOM 1111 C THR A 76 1.065 -8.825 -2.066 1.00 0.00 C ATOM 1112 O THR A 76 1.421 -9.654 -2.902 1.00 0.00 O ATOM 1113 CB THR A 76 0.958 -10.257 0.050 1.00 0.00 C ATOM 1114 OG1 THR A 76 0.862 -11.490 -0.657 1.00 0.00 O ATOM 1115 CG2 THR A 76 0.204 -10.516 1.356 1.00 0.00 C ATOM 0 H THR A 76 -0.948 -10.440 -2.108 1.00 0.00 H new ATOM 0 HA THR A 76 0.067 -8.341 -0.278 1.00 0.00 H new ATOM 0 HB THR A 76 1.959 -9.890 0.276 1.00 0.00 H new ATOM 0 HG1 THR A 76 1.036 -11.336 -1.609 1.00 0.00 H new ATOM 0 HG21 THR A 76 0.757 -11.236 1.959 1.00 0.00 H new ATOM 0 HG22 THR A 76 0.102 -9.582 1.909 1.00 0.00 H new ATOM 0 HG23 THR A 76 -0.785 -10.915 1.132 1.00 0.00 H new ATOM 1123 N ALA A 77 1.347 -7.532 -2.125 1.00 0.00 N ATOM 1124 CA ALA A 77 2.125 -6.985 -3.223 1.00 0.00 C ATOM 1125 C ALA A 77 3.205 -6.057 -2.664 1.00 0.00 C ATOM 1126 O ALA A 77 2.948 -5.281 -1.745 1.00 0.00 O ATOM 1127 CB ALA A 77 1.192 -6.269 -4.203 1.00 0.00 C ATOM 0 H ALA A 77 1.050 -6.847 -1.430 1.00 0.00 H new ATOM 0 HA ALA A 77 2.626 -7.782 -3.772 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.776 -5.858 -5.027 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.461 -6.977 -4.593 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.674 -5.461 -3.687 1.00 0.00 H new ATOM 1133 N GLN A 78 4.392 -6.167 -3.243 1.00 0.00 N ATOM 1134 CA GLN A 78 5.513 -5.348 -2.814 1.00 0.00 C ATOM 1135 C GLN A 78 5.344 -3.913 -3.316 1.00 0.00 C ATOM 1136 O GLN A 78 5.086 -3.692 -4.498 1.00 0.00 O ATOM 1137 CB GLN A 78 6.840 -5.943 -3.288 1.00 0.00 C ATOM 1138 CG GLN A 78 7.484 -6.793 -2.191 1.00 0.00 C ATOM 1139 CD GLN A 78 7.335 -8.285 -2.495 1.00 0.00 C ATOM 1140 OE1 GLN A 78 8.303 -8.781 -3.260 1.00 0.00 O flip ATOM 1141 NE2 GLN A 78 6.402 -8.942 -2.063 1.00 0.00 N flip ATOM 0 H GLN A 78 4.602 -6.811 -4.006 1.00 0.00 H new ATOM 0 HA GLN A 78 5.530 -5.331 -1.724 1.00 0.00 H new ATOM 0 HB2 GLN A 78 6.672 -6.554 -4.175 1.00 0.00 H new ATOM 0 HB3 GLN A 78 7.519 -5.141 -3.577 1.00 0.00 H new ATOM 0 HG2 GLN A 78 8.541 -6.540 -2.103 1.00 0.00 H new ATOM 0 HG3 GLN A 78 7.021 -6.566 -1.231 1.00 0.00 H new ATOM 0 HE21 GLN A 78 5.692 -8.498 -1.480 1.00 0.00 H new ATOM 0 HE22 GLN A 78 6.332 -9.935 -2.284 1.00 0.00 H new ATOM 1150 N LEU A 79 5.497 -2.975 -2.393 1.00 0.00 N ATOM 1151 CA LEU A 79 5.365 -1.567 -2.728 1.00 0.00 C ATOM 1152 C LEU A 79 6.743 -0.904 -2.677 1.00 0.00 C ATOM 1153 O LEU A 79 7.560 -1.226 -1.815 1.00 0.00 O ATOM 1154 CB LEU A 79 4.327 -0.897 -1.825 1.00 0.00 C ATOM 1155 CG LEU A 79 2.941 -1.546 -1.801 1.00 0.00 C ATOM 1156 CD1 LEU A 79 1.872 -0.540 -1.369 1.00 0.00 C ATOM 1157 CD2 LEU A 79 2.612 -2.188 -3.150 1.00 0.00 C ATOM 0 H LEU A 79 5.711 -3.162 -1.413 1.00 0.00 H new ATOM 0 HA LEU A 79 4.992 -1.451 -3.746 1.00 0.00 H new ATOM 0 HB2 LEU A 79 4.716 -0.880 -0.807 1.00 0.00 H new ATOM 0 HB3 LEU A 79 4.215 0.140 -2.140 1.00 0.00 H new ATOM 0 HG LEU A 79 2.951 -2.344 -1.059 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.897 -1.027 -1.360 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.102 -0.171 -0.370 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.854 0.295 -2.069 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.622 -2.642 -3.105 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.627 -1.426 -3.929 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.352 -2.955 -3.378 1.00 0.00 H new ATOM 1169 N ASN A 80 6.959 0.010 -3.612 1.00 0.00 N ATOM 1170 CA ASN A 80 8.224 0.722 -3.684 1.00 0.00 C ATOM 1171 C ASN A 80 8.087 2.071 -2.976 1.00 0.00 C ATOM 1172 O ASN A 80 7.422 2.976 -3.479 1.00 0.00 O ATOM 1173 CB ASN A 80 8.622 0.989 -5.137 1.00 0.00 C ATOM 1174 CG ASN A 80 9.215 -0.265 -5.782 1.00 0.00 C ATOM 1175 OD1 ASN A 80 8.840 -1.386 -5.482 1.00 0.00 O ATOM 1176 ND2 ASN A 80 10.160 -0.014 -6.684 1.00 0.00 N ATOM 0 H ASN A 80 6.280 0.274 -4.326 1.00 0.00 H new ATOM 0 HA ASN A 80 8.986 0.105 -3.208 1.00 0.00 H new ATOM 0 HB2 ASN A 80 7.749 1.315 -5.703 1.00 0.00 H new ATOM 0 HB3 ASN A 80 9.349 1.801 -5.176 1.00 0.00 H new ATOM 0 HD21 ASN A 80 10.617 -0.785 -7.171 1.00 0.00 H new ATOM 0 HD22 ASN A 80 10.427 0.949 -6.888 1.00 0.00 H new ATOM 1183 N LEU A 81 8.725 2.163 -1.819 1.00 0.00 N ATOM 1184 CA LEU A 81 8.683 3.387 -1.036 1.00 0.00 C ATOM 1185 C LEU A 81 10.040 4.089 -1.121 1.00 0.00 C ATOM 1186 O LEU A 81 11.061 3.446 -1.360 1.00 0.00 O ATOM 1187 CB LEU A 81 8.232 3.092 0.395 1.00 0.00 C ATOM 1188 CG LEU A 81 6.902 2.348 0.540 1.00 0.00 C ATOM 1189 CD1 LEU A 81 6.347 2.489 1.959 1.00 0.00 C ATOM 1190 CD2 LEU A 81 5.898 2.812 -0.517 1.00 0.00 C ATOM 0 H LEU A 81 9.274 1.410 -1.404 1.00 0.00 H new ATOM 0 HA LEU A 81 7.942 4.075 -1.444 1.00 0.00 H new ATOM 0 HB2 LEU A 81 9.009 2.506 0.886 1.00 0.00 H new ATOM 0 HB3 LEU A 81 8.157 4.037 0.933 1.00 0.00 H new ATOM 0 HG LEU A 81 7.083 1.287 0.369 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.402 1.951 2.035 1.00 0.00 H new ATOM 0 HD12 LEU A 81 7.059 2.073 2.671 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.184 3.543 2.183 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.961 2.268 -0.393 1.00 0.00 H new ATOM 0 HD22 LEU A 81 5.716 3.880 -0.401 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.301 2.618 -1.511 1.00 0.00 H new ATOM 1202 N SER A 82 10.007 5.398 -0.921 1.00 0.00 N ATOM 1203 CA SER A 82 11.221 6.194 -0.972 1.00 0.00 C ATOM 1204 C SER A 82 11.345 7.042 0.296 1.00 0.00 C ATOM 1205 O SER A 82 10.369 7.226 1.021 1.00 0.00 O ATOM 1206 CB SER A 82 11.242 7.088 -2.213 1.00 0.00 C ATOM 1207 OG SER A 82 11.961 6.492 -3.289 1.00 0.00 O ATOM 0 H SER A 82 9.158 5.928 -0.723 1.00 0.00 H new ATOM 0 HA SER A 82 12.072 5.516 -1.032 1.00 0.00 H new ATOM 0 HB2 SER A 82 10.219 7.292 -2.530 1.00 0.00 H new ATOM 0 HB3 SER A 82 11.695 8.047 -1.961 1.00 0.00 H new ATOM 0 HG SER A 82 11.950 7.093 -4.063 1.00 0.00 H new ATOM 1213 N PRO A 83 12.585 7.548 0.530 1.00 0.00 N ATOM 1214 CA PRO A 83 12.849 8.372 1.698 1.00 0.00 C ATOM 1215 C PRO A 83 12.271 9.777 1.519 1.00 0.00 C ATOM 1216 O PRO A 83 12.403 10.375 0.452 1.00 0.00 O ATOM 1217 CB PRO A 83 14.361 8.366 1.849 1.00 0.00 C ATOM 1218 CG PRO A 83 14.914 7.929 0.502 1.00 0.00 C ATOM 1219 CD PRO A 83 13.765 7.350 -0.307 1.00 0.00 C ATOM 0 HA PRO A 83 12.371 7.990 2.600 1.00 0.00 H new ATOM 0 HB2 PRO A 83 14.730 9.355 2.120 1.00 0.00 H new ATOM 0 HB3 PRO A 83 14.672 7.682 2.639 1.00 0.00 H new ATOM 0 HG2 PRO A 83 15.360 8.775 -0.020 1.00 0.00 H new ATOM 0 HG3 PRO A 83 15.700 7.186 0.635 1.00 0.00 H new ATOM 0 HD2 PRO A 83 13.660 7.858 -1.266 1.00 0.00 H new ATOM 0 HD3 PRO A 83 13.925 6.293 -0.522 1.00 0.00 H new ATOM 1227 N TYR A 84 11.644 10.264 2.580 1.00 0.00 N ATOM 1228 CA TYR A 84 11.045 11.587 2.553 1.00 0.00 C ATOM 1229 C TYR A 84 9.904 11.653 1.537 1.00 0.00 C ATOM 1230 O TYR A 84 9.916 12.491 0.637 1.00 0.00 O ATOM 1231 CB TYR A 84 12.157 12.544 2.116 1.00 0.00 C ATOM 1232 CG TYR A 84 13.515 12.255 2.760 1.00 0.00 C ATOM 1233 CD1 TYR A 84 13.742 12.604 4.076 1.00 0.00 C ATOM 1234 CD2 TYR A 84 14.511 11.647 2.024 1.00 0.00 C ATOM 1235 CE1 TYR A 84 15.020 12.332 4.681 1.00 0.00 C ATOM 1236 CE2 TYR A 84 15.789 11.376 2.630 1.00 0.00 C ATOM 1237 CZ TYR A 84 15.981 11.732 3.929 1.00 0.00 C ATOM 1238 OH TYR A 84 17.188 11.475 4.501 1.00 0.00 O ATOM 0 H TYR A 84 11.538 9.766 3.464 1.00 0.00 H new ATOM 0 HA TYR A 84 10.633 11.841 3.530 1.00 0.00 H new ATOM 0 HB2 TYR A 84 12.262 12.492 1.032 1.00 0.00 H new ATOM 0 HB3 TYR A 84 11.861 13.564 2.359 1.00 0.00 H new ATOM 0 HD1 TYR A 84 12.962 13.081 4.651 1.00 0.00 H new ATOM 0 HD2 TYR A 84 14.332 11.375 0.994 1.00 0.00 H new ATOM 0 HE1 TYR A 84 15.211 12.599 5.710 1.00 0.00 H new ATOM 0 HE2 TYR A 84 16.578 10.901 2.066 1.00 0.00 H new ATOM 0 HH TYR A 84 17.775 11.043 3.846 1.00 0.00 H new ATOM 1248 N VAL A 85 8.944 10.757 1.715 1.00 0.00 N ATOM 1249 CA VAL A 85 7.797 10.703 0.824 1.00 0.00 C ATOM 1250 C VAL A 85 6.590 10.151 1.587 1.00 0.00 C ATOM 1251 O VAL A 85 6.420 8.937 1.691 1.00 0.00 O ATOM 1252 CB VAL A 85 8.141 9.886 -0.423 1.00 0.00 C ATOM 1253 CG1 VAL A 85 7.107 10.111 -1.528 1.00 0.00 C ATOM 1254 CG2 VAL A 85 9.552 10.208 -0.918 1.00 0.00 C ATOM 0 H VAL A 85 8.937 10.063 2.463 1.00 0.00 H new ATOM 0 HA VAL A 85 7.534 11.703 0.478 1.00 0.00 H new ATOM 0 HB VAL A 85 8.115 8.831 -0.150 1.00 0.00 H new ATOM 0 HG11 VAL A 85 7.375 9.519 -2.403 1.00 0.00 H new ATOM 0 HG12 VAL A 85 6.122 9.808 -1.172 1.00 0.00 H new ATOM 0 HG13 VAL A 85 7.086 11.167 -1.797 1.00 0.00 H new ATOM 0 HG21 VAL A 85 9.771 9.614 -1.805 1.00 0.00 H new ATOM 0 HG22 VAL A 85 9.618 11.267 -1.166 1.00 0.00 H new ATOM 0 HG23 VAL A 85 10.274 9.973 -0.136 1.00 0.00 H new ATOM 1264 N ASN A 86 5.784 11.069 2.100 1.00 0.00 N ATOM 1265 CA ASN A 86 4.599 10.690 2.849 1.00 0.00 C ATOM 1266 C ASN A 86 3.462 10.380 1.874 1.00 0.00 C ATOM 1267 O ASN A 86 3.321 11.043 0.848 1.00 0.00 O ATOM 1268 CB ASN A 86 4.140 11.825 3.766 1.00 0.00 C ATOM 1269 CG ASN A 86 3.178 11.310 4.838 1.00 0.00 C ATOM 1270 OD1 ASN A 86 2.349 12.236 5.311 1.00 0.00 O flip ATOM 1271 ND2 ASN A 86 3.188 10.148 5.211 1.00 0.00 N flip ATOM 0 H ASN A 86 5.929 12.075 2.011 1.00 0.00 H new ATOM 0 HA ASN A 86 4.847 9.817 3.453 1.00 0.00 H new ATOM 0 HB2 ASN A 86 5.006 12.286 4.241 1.00 0.00 H new ATOM 0 HB3 ASN A 86 3.651 12.599 3.175 1.00 0.00 H new ATOM 0 HD21 ASN A 86 3.852 9.488 4.806 1.00 0.00 H new ATOM 0 HD22 ASN A 86 2.533 9.837 5.928 1.00 0.00 H new ATOM 1278 N TYR A 87 2.679 9.371 2.229 1.00 0.00 N ATOM 1279 CA TYR A 87 1.558 8.965 1.398 1.00 0.00 C ATOM 1280 C TYR A 87 0.801 7.797 2.031 1.00 0.00 C ATOM 1281 O TYR A 87 1.218 7.267 3.060 1.00 0.00 O ATOM 1282 CB TYR A 87 2.163 8.506 0.070 1.00 0.00 C ATOM 1283 CG TYR A 87 3.527 7.827 0.209 1.00 0.00 C ATOM 1284 CD1 TYR A 87 3.730 6.882 1.194 1.00 0.00 C ATOM 1285 CD2 TYR A 87 4.555 8.161 -0.650 1.00 0.00 C ATOM 1286 CE1 TYR A 87 5.015 6.243 1.325 1.00 0.00 C ATOM 1287 CE2 TYR A 87 5.839 7.523 -0.519 1.00 0.00 C ATOM 1288 CZ TYR A 87 6.005 6.595 0.462 1.00 0.00 C ATOM 1289 OH TYR A 87 7.218 5.992 0.586 1.00 0.00 O ATOM 0 H TYR A 87 2.799 8.823 3.081 1.00 0.00 H new ATOM 0 HA TYR A 87 0.854 9.788 1.275 1.00 0.00 H new ATOM 0 HB2 TYR A 87 1.472 7.815 -0.413 1.00 0.00 H new ATOM 0 HB3 TYR A 87 2.263 9.368 -0.589 1.00 0.00 H new ATOM 0 HD1 TYR A 87 2.926 6.621 1.866 1.00 0.00 H new ATOM 0 HD2 TYR A 87 4.396 8.901 -1.420 1.00 0.00 H new ATOM 0 HE1 TYR A 87 5.188 5.502 2.091 1.00 0.00 H new ATOM 0 HE2 TYR A 87 6.652 7.775 -1.184 1.00 0.00 H new ATOM 0 HH TYR A 87 7.831 6.586 1.067 1.00 0.00 H new ATOM 1299 N SER A 88 -0.300 7.430 1.391 1.00 0.00 N ATOM 1300 CA SER A 88 -1.119 6.334 1.879 1.00 0.00 C ATOM 1301 C SER A 88 -1.138 5.198 0.854 1.00 0.00 C ATOM 1302 O SER A 88 -0.516 5.300 -0.202 1.00 0.00 O ATOM 1303 CB SER A 88 -2.545 6.803 2.178 1.00 0.00 C ATOM 1304 OG SER A 88 -3.434 6.529 1.099 1.00 0.00 O ATOM 0 H SER A 88 -0.644 7.873 0.539 1.00 0.00 H new ATOM 0 HA SER A 88 -0.683 5.969 2.809 1.00 0.00 H new ATOM 0 HB2 SER A 88 -2.907 6.310 3.080 1.00 0.00 H new ATOM 0 HB3 SER A 88 -2.540 7.874 2.380 1.00 0.00 H new ATOM 0 HG SER A 88 -3.868 7.360 0.813 1.00 0.00 H new ATOM 1310 N PHE A 89 -1.858 4.142 1.202 1.00 0.00 N ATOM 1311 CA PHE A 89 -1.966 2.988 0.326 1.00 0.00 C ATOM 1312 C PHE A 89 -3.353 2.349 0.429 1.00 0.00 C ATOM 1313 O PHE A 89 -3.776 1.947 1.512 1.00 0.00 O ATOM 1314 CB PHE A 89 -0.916 1.976 0.787 1.00 0.00 C ATOM 1315 CG PHE A 89 0.517 2.512 0.765 1.00 0.00 C ATOM 1316 CD1 PHE A 89 1.271 2.391 -0.360 1.00 0.00 C ATOM 1317 CD2 PHE A 89 1.037 3.110 1.871 1.00 0.00 C ATOM 1318 CE1 PHE A 89 2.601 2.889 -0.381 1.00 0.00 C ATOM 1319 CE2 PHE A 89 2.366 3.607 1.850 1.00 0.00 C ATOM 1320 CZ PHE A 89 3.120 3.486 0.725 1.00 0.00 C ATOM 0 H PHE A 89 -2.373 4.061 2.079 1.00 0.00 H new ATOM 0 HA PHE A 89 -1.811 3.292 -0.709 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -1.157 1.654 1.800 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -0.973 1.093 0.150 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.858 1.916 -1.238 1.00 0.00 H new ATOM 0 HD2 PHE A 89 0.438 3.206 2.765 1.00 0.00 H new ATOM 0 HE1 PHE A 89 3.200 2.794 -1.275 1.00 0.00 H new ATOM 0 HE2 PHE A 89 2.779 4.082 2.728 1.00 0.00 H new ATOM 0 HZ PHE A 89 4.132 3.864 0.710 1.00 0.00 H new ATOM 1330 N ARG A 90 -4.021 2.275 -0.713 1.00 0.00 N ATOM 1331 CA ARG A 90 -5.351 1.692 -0.765 1.00 0.00 C ATOM 1332 C ARG A 90 -5.332 0.397 -1.580 1.00 0.00 C ATOM 1333 O ARG A 90 -4.272 -0.050 -2.016 1.00 0.00 O ATOM 1334 CB ARG A 90 -6.355 2.664 -1.388 1.00 0.00 C ATOM 1335 CG ARG A 90 -6.066 2.870 -2.876 1.00 0.00 C ATOM 1336 CD ARG A 90 -6.418 4.294 -3.311 1.00 0.00 C ATOM 1337 NE ARG A 90 -7.334 4.257 -4.473 1.00 0.00 N ATOM 1338 CZ ARG A 90 -8.193 5.237 -4.785 1.00 0.00 C ATOM 1339 NH1 ARG A 90 -8.259 6.338 -4.022 1.00 0.00 N ATOM 1340 NH2 ARG A 90 -8.985 5.118 -5.858 1.00 0.00 N ATOM 0 H ARG A 90 -3.666 2.609 -1.609 1.00 0.00 H new ATOM 0 HA ARG A 90 -5.658 1.477 0.258 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -7.367 2.279 -1.260 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -6.310 3.621 -0.869 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -5.012 2.675 -3.076 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -6.640 2.154 -3.464 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -6.886 4.830 -2.485 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -5.510 4.839 -3.570 1.00 0.00 H new ATOM 0 HE ARG A 90 -7.310 3.433 -5.074 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -7.656 6.429 -3.205 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -8.913 7.084 -4.259 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -8.935 4.281 -6.439 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -9.639 5.864 -6.095 1.00 0.00 H new ATOM 1354 N VAL A 91 -6.516 -0.169 -1.760 1.00 0.00 N ATOM 1355 CA VAL A 91 -6.648 -1.404 -2.515 1.00 0.00 C ATOM 1356 C VAL A 91 -8.060 -1.492 -3.096 1.00 0.00 C ATOM 1357 O VAL A 91 -9.041 -1.248 -2.395 1.00 0.00 O ATOM 1358 CB VAL A 91 -6.290 -2.599 -1.629 1.00 0.00 C ATOM 1359 CG1 VAL A 91 -6.591 -3.919 -2.342 1.00 0.00 C ATOM 1360 CG2 VAL A 91 -4.827 -2.536 -1.188 1.00 0.00 C ATOM 0 H VAL A 91 -7.393 0.204 -1.396 1.00 0.00 H new ATOM 0 HA VAL A 91 -5.951 -1.417 -3.353 1.00 0.00 H new ATOM 0 HB VAL A 91 -6.912 -2.551 -0.735 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -6.328 -4.753 -1.691 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -7.653 -3.968 -2.583 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -6.007 -3.978 -3.261 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.599 -3.397 -0.560 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.181 -2.547 -2.066 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.656 -1.619 -0.623 1.00 0.00 H new ATOM 1370 N MET A 92 -8.119 -1.841 -4.373 1.00 0.00 N ATOM 1371 CA MET A 92 -9.395 -1.964 -5.057 1.00 0.00 C ATOM 1372 C MET A 92 -9.610 -3.392 -5.564 1.00 0.00 C ATOM 1373 O MET A 92 -8.657 -4.068 -5.948 1.00 0.00 O ATOM 1374 CB MET A 92 -9.438 -0.992 -6.238 1.00 0.00 C ATOM 1375 CG MET A 92 -9.418 0.459 -5.753 1.00 0.00 C ATOM 1376 SD MET A 92 -8.138 1.369 -6.601 1.00 0.00 S ATOM 1377 CE MET A 92 -6.705 0.798 -5.702 1.00 0.00 C ATOM 0 H MET A 92 -7.304 -2.042 -4.952 1.00 0.00 H new ATOM 0 HA MET A 92 -10.189 -1.725 -4.349 1.00 0.00 H new ATOM 0 HB2 MET A 92 -8.586 -1.172 -6.893 1.00 0.00 H new ATOM 0 HB3 MET A 92 -10.337 -1.170 -6.828 1.00 0.00 H new ATOM 0 HG2 MET A 92 -10.387 0.925 -5.933 1.00 0.00 H new ATOM 0 HG3 MET A 92 -9.245 0.489 -4.677 1.00 0.00 H new ATOM 0 HE1 MET A 92 -5.989 1.614 -5.602 1.00 0.00 H new ATOM 0 HE2 MET A 92 -7.008 0.458 -4.712 1.00 0.00 H new ATOM 0 HE3 MET A 92 -6.241 -0.027 -6.243 1.00 0.00 H new ATOM 1387 N ALA A 93 -10.867 -3.809 -5.548 1.00 0.00 N ATOM 1388 CA ALA A 93 -11.219 -5.144 -6.001 1.00 0.00 C ATOM 1389 C ALA A 93 -12.020 -5.042 -7.301 1.00 0.00 C ATOM 1390 O ALA A 93 -12.920 -4.212 -7.417 1.00 0.00 O ATOM 1391 CB ALA A 93 -11.990 -5.871 -4.897 1.00 0.00 C ATOM 0 H ALA A 93 -11.655 -3.246 -5.228 1.00 0.00 H new ATOM 0 HA ALA A 93 -10.322 -5.727 -6.211 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -12.254 -6.872 -5.237 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -11.367 -5.943 -4.005 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -12.898 -5.316 -4.662 1.00 0.00 H new ATOM 1397 N VAL A 94 -11.663 -5.899 -8.247 1.00 0.00 N ATOM 1398 CA VAL A 94 -12.336 -5.916 -9.534 1.00 0.00 C ATOM 1399 C VAL A 94 -12.742 -7.351 -9.873 1.00 0.00 C ATOM 1400 O VAL A 94 -11.922 -8.265 -9.803 1.00 0.00 O ATOM 1401 CB VAL A 94 -11.443 -5.279 -10.601 1.00 0.00 C ATOM 1402 CG1 VAL A 94 -12.273 -4.776 -11.783 1.00 0.00 C ATOM 1403 CG2 VAL A 94 -10.597 -4.152 -10.006 1.00 0.00 C ATOM 0 H VAL A 94 -10.916 -6.586 -8.147 1.00 0.00 H new ATOM 0 HA VAL A 94 -13.248 -5.320 -9.496 1.00 0.00 H new ATOM 0 HB VAL A 94 -10.765 -6.047 -10.972 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -11.613 -4.328 -12.526 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -12.811 -5.611 -12.231 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -12.987 -4.030 -11.435 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -9.972 -3.716 -10.785 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -11.252 -3.384 -9.594 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -9.964 -4.552 -9.214 1.00 0.00 H new ATOM 1413 N ASN A 95 -14.008 -7.505 -10.234 1.00 0.00 N ATOM 1414 CA ASN A 95 -14.533 -8.814 -10.584 1.00 0.00 C ATOM 1415 C ASN A 95 -15.336 -8.706 -11.882 1.00 0.00 C ATOM 1416 O ASN A 95 -15.267 -7.693 -12.576 1.00 0.00 O ATOM 1417 CB ASN A 95 -15.467 -9.342 -9.493 1.00 0.00 C ATOM 1418 CG ASN A 95 -16.707 -8.457 -9.356 1.00 0.00 C ATOM 1419 OD1 ASN A 95 -17.040 -7.672 -10.229 1.00 0.00 O ATOM 1420 ND2 ASN A 95 -17.369 -8.626 -8.216 1.00 0.00 N ATOM 0 H ASN A 95 -14.685 -6.745 -10.292 1.00 0.00 H new ATOM 0 HA ASN A 95 -13.690 -9.496 -10.699 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -15.769 -10.362 -9.730 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -14.936 -9.380 -8.542 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -18.211 -8.081 -8.030 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -17.035 -9.301 -7.528 1.00 0.00 H new ATOM 1427 N SER A 96 -16.078 -9.764 -12.171 1.00 0.00 N ATOM 1428 CA SER A 96 -16.893 -9.801 -13.373 1.00 0.00 C ATOM 1429 C SER A 96 -17.660 -8.486 -13.526 1.00 0.00 C ATOM 1430 O SER A 96 -17.729 -7.927 -14.620 1.00 0.00 O ATOM 1431 CB SER A 96 -17.865 -10.982 -13.344 1.00 0.00 C ATOM 1432 OG SER A 96 -18.112 -11.503 -14.647 1.00 0.00 O ATOM 0 H SER A 96 -16.132 -10.603 -11.593 1.00 0.00 H new ATOM 0 HA SER A 96 -16.232 -9.931 -14.230 1.00 0.00 H new ATOM 0 HB2 SER A 96 -17.459 -11.770 -12.710 1.00 0.00 H new ATOM 0 HB3 SER A 96 -18.807 -10.665 -12.896 1.00 0.00 H new ATOM 0 HG SER A 96 -18.736 -12.256 -14.585 1.00 0.00 H new ATOM 1438 N ILE A 97 -18.217 -8.030 -12.414 1.00 0.00 N ATOM 1439 CA ILE A 97 -18.977 -6.792 -12.411 1.00 0.00 C ATOM 1440 C ILE A 97 -18.067 -5.640 -12.842 1.00 0.00 C ATOM 1441 O ILE A 97 -17.994 -5.311 -14.026 1.00 0.00 O ATOM 1442 CB ILE A 97 -19.641 -6.574 -11.050 1.00 0.00 C ATOM 1443 CG1 ILE A 97 -20.509 -7.774 -10.666 1.00 0.00 C ATOM 1444 CG2 ILE A 97 -20.432 -5.264 -11.029 1.00 0.00 C ATOM 1445 CD1 ILE A 97 -21.881 -7.696 -11.339 1.00 0.00 C ATOM 0 H ILE A 97 -18.157 -8.496 -11.509 1.00 0.00 H new ATOM 0 HA ILE A 97 -19.792 -6.843 -13.133 1.00 0.00 H new ATOM 0 HB ILE A 97 -18.858 -6.489 -10.297 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -20.009 -8.697 -10.958 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -20.632 -7.807 -9.583 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -20.894 -5.133 -10.050 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -19.759 -4.430 -11.227 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -21.207 -5.295 -11.795 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -22.478 -8.561 -11.049 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -22.388 -6.783 -11.026 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -21.755 -7.688 -12.422 1.00 0.00 H new ATOM 1457 N GLY A 98 -17.397 -5.057 -11.859 1.00 0.00 N ATOM 1458 CA GLY A 98 -16.495 -3.949 -12.122 1.00 0.00 C ATOM 1459 C GLY A 98 -15.528 -3.739 -10.955 1.00 0.00 C ATOM 1460 O GLY A 98 -15.272 -4.662 -10.183 1.00 0.00 O ATOM 0 H GLY A 98 -17.461 -5.331 -10.879 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -15.932 -4.143 -13.035 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -17.071 -3.039 -12.290 1.00 0.00 H new ATOM 1464 N LYS A 99 -15.018 -2.520 -10.862 1.00 0.00 N ATOM 1465 CA LYS A 99 -14.085 -2.178 -9.802 1.00 0.00 C ATOM 1466 C LYS A 99 -14.848 -1.518 -8.651 1.00 0.00 C ATOM 1467 O LYS A 99 -15.667 -0.628 -8.875 1.00 0.00 O ATOM 1468 CB LYS A 99 -12.940 -1.325 -10.350 1.00 0.00 C ATOM 1469 CG LYS A 99 -11.926 -0.996 -9.253 1.00 0.00 C ATOM 1470 CD LYS A 99 -11.199 0.316 -9.552 1.00 0.00 C ATOM 1471 CE LYS A 99 -10.340 0.192 -10.812 1.00 0.00 C ATOM 1472 NZ LYS A 99 -9.940 1.530 -11.300 1.00 0.00 N ATOM 0 H LYS A 99 -15.233 -1.757 -11.503 1.00 0.00 H new ATOM 0 HA LYS A 99 -13.617 -3.077 -9.401 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -12.443 -1.856 -11.162 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -13.339 -0.402 -10.770 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -12.436 -0.922 -8.292 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -11.201 -1.806 -9.168 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -11.926 1.118 -9.681 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -10.570 0.589 -8.704 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -9.453 -0.403 -10.597 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -10.896 -0.333 -11.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -9.358 1.428 -12.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -10.790 2.086 -11.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -9.391 2.018 -10.564 1.00 0.00 H new ATOM 1486 N SER A 100 -14.551 -1.980 -7.445 1.00 0.00 N ATOM 1487 CA SER A 100 -15.198 -1.445 -6.259 1.00 0.00 C ATOM 1488 C SER A 100 -14.448 -0.206 -5.767 1.00 0.00 C ATOM 1489 O SER A 100 -13.397 0.142 -6.303 1.00 0.00 O ATOM 1490 CB SER A 100 -15.271 -2.496 -5.150 1.00 0.00 C ATOM 1491 OG SER A 100 -13.977 -2.892 -4.704 1.00 0.00 O ATOM 0 H SER A 100 -13.871 -2.719 -7.264 1.00 0.00 H new ATOM 0 HA SER A 100 -16.217 -1.163 -6.524 1.00 0.00 H new ATOM 0 HB2 SER A 100 -15.838 -2.097 -4.309 1.00 0.00 H new ATOM 0 HB3 SER A 100 -15.812 -3.370 -5.513 1.00 0.00 H new ATOM 0 HG SER A 100 -14.064 -3.461 -3.911 1.00 0.00 H new ATOM 1497 N LEU A 101 -15.018 0.428 -4.753 1.00 0.00 N ATOM 1498 CA LEU A 101 -14.416 1.621 -4.183 1.00 0.00 C ATOM 1499 C LEU A 101 -13.048 1.267 -3.597 1.00 0.00 C ATOM 1500 O LEU A 101 -12.776 0.104 -3.304 1.00 0.00 O ATOM 1501 CB LEU A 101 -15.367 2.272 -3.175 1.00 0.00 C ATOM 1502 CG LEU A 101 -16.609 2.943 -3.763 1.00 0.00 C ATOM 1503 CD1 LEU A 101 -16.277 4.337 -4.299 1.00 0.00 C ATOM 1504 CD2 LEU A 101 -17.259 2.059 -4.829 1.00 0.00 C ATOM 0 H LEU A 101 -15.890 0.138 -4.311 1.00 0.00 H new ATOM 0 HA LEU A 101 -14.248 2.369 -4.957 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -15.691 1.510 -2.466 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -14.809 3.018 -2.608 1.00 0.00 H new ATOM 0 HG LEU A 101 -17.338 3.070 -2.963 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -17.177 4.792 -4.712 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -15.896 4.957 -3.488 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -15.521 4.256 -5.080 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -18.140 2.561 -5.230 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -16.547 1.877 -5.634 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -17.554 1.109 -4.383 1.00 0.00 H new ATOM 1516 N PRO A 102 -12.200 2.319 -3.439 1.00 0.00 N ATOM 1517 CA PRO A 102 -10.867 2.131 -2.894 1.00 0.00 C ATOM 1518 C PRO A 102 -10.920 1.903 -1.382 1.00 0.00 C ATOM 1519 O PRO A 102 -11.724 2.521 -0.685 1.00 0.00 O ATOM 1520 CB PRO A 102 -10.104 3.388 -3.279 1.00 0.00 C ATOM 1521 CG PRO A 102 -11.158 4.429 -3.617 1.00 0.00 C ATOM 1522 CD PRO A 102 -12.488 3.711 -3.775 1.00 0.00 C ATOM 0 HA PRO A 102 -10.372 1.244 -3.289 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -9.470 3.726 -2.459 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -9.451 3.203 -4.132 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -11.220 5.179 -2.829 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -10.896 4.953 -4.536 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -13.245 4.130 -3.112 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -12.869 3.802 -4.792 1.00 0.00 H new ATOM 1530 N SER A 103 -10.053 1.014 -0.919 1.00 0.00 N ATOM 1531 CA SER A 103 -9.992 0.697 0.498 1.00 0.00 C ATOM 1532 C SER A 103 -9.921 1.985 1.320 1.00 0.00 C ATOM 1533 O SER A 103 -9.412 3.000 0.847 1.00 0.00 O ATOM 1534 CB SER A 103 -8.791 -0.199 0.810 1.00 0.00 C ATOM 1535 OG SER A 103 -7.563 0.522 0.770 1.00 0.00 O ATOM 0 H SER A 103 -9.388 0.504 -1.500 1.00 0.00 H new ATOM 0 HA SER A 103 -10.897 0.152 0.766 1.00 0.00 H new ATOM 0 HB2 SER A 103 -8.918 -0.645 1.797 1.00 0.00 H new ATOM 0 HB3 SER A 103 -8.754 -1.019 0.092 1.00 0.00 H new ATOM 0 HG SER A 103 -7.368 0.886 1.659 1.00 0.00 H new ATOM 1541 N GLU A 104 -10.438 1.902 2.537 1.00 0.00 N ATOM 1542 CA GLU A 104 -10.440 3.049 3.429 1.00 0.00 C ATOM 1543 C GLU A 104 -9.163 3.870 3.241 1.00 0.00 C ATOM 1544 O GLU A 104 -9.170 4.886 2.548 1.00 0.00 O ATOM 1545 CB GLU A 104 -10.600 2.610 4.886 1.00 0.00 C ATOM 1546 CG GLU A 104 -11.971 3.013 5.433 1.00 0.00 C ATOM 1547 CD GLU A 104 -11.848 3.605 6.838 1.00 0.00 C ATOM 1548 OE1 GLU A 104 -11.394 2.858 7.731 1.00 0.00 O ATOM 1549 OE2 GLU A 104 -12.210 4.792 6.987 1.00 0.00 O ATOM 0 H GLU A 104 -10.858 1.058 2.926 1.00 0.00 H new ATOM 0 HA GLU A 104 -11.294 3.679 3.178 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -10.479 1.529 4.959 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -9.815 3.061 5.494 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -12.433 3.742 4.767 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -12.627 2.143 5.457 1.00 0.00 H new ATOM 1556 N ALA A 105 -8.096 3.398 3.871 1.00 0.00 N ATOM 1557 CA ALA A 105 -6.814 4.076 3.781 1.00 0.00 C ATOM 1558 C ALA A 105 -5.899 3.577 4.901 1.00 0.00 C ATOM 1559 O ALA A 105 -6.125 3.878 6.072 1.00 0.00 O ATOM 1560 CB ALA A 105 -7.032 5.590 3.837 1.00 0.00 C ATOM 0 H ALA A 105 -8.094 2.555 4.445 1.00 0.00 H new ATOM 0 HA ALA A 105 -6.327 3.852 2.832 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -6.070 6.099 3.770 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -7.665 5.898 3.004 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -7.517 5.853 4.777 1.00 0.00 H new ATOM 1566 N SER A 106 -4.886 2.823 4.502 1.00 0.00 N ATOM 1567 CA SER A 106 -3.936 2.279 5.457 1.00 0.00 C ATOM 1568 C SER A 106 -3.261 3.415 6.228 1.00 0.00 C ATOM 1569 O SER A 106 -3.414 4.584 5.879 1.00 0.00 O ATOM 1570 CB SER A 106 -2.885 1.415 4.758 1.00 0.00 C ATOM 1571 OG SER A 106 -2.723 0.151 5.395 1.00 0.00 O ATOM 0 H SER A 106 -4.702 2.576 3.530 1.00 0.00 H new ATOM 0 HA SER A 106 -4.480 1.645 6.157 1.00 0.00 H new ATOM 0 HB2 SER A 106 -3.174 1.262 3.718 1.00 0.00 H new ATOM 0 HB3 SER A 106 -1.931 1.941 4.749 1.00 0.00 H new ATOM 0 HG SER A 106 -2.045 -0.371 4.918 1.00 0.00 H new ATOM 1577 N GLU A 107 -2.528 3.031 7.264 1.00 0.00 N ATOM 1578 CA GLU A 107 -1.830 4.003 8.087 1.00 0.00 C ATOM 1579 C GLU A 107 -0.846 4.810 7.238 1.00 0.00 C ATOM 1580 O GLU A 107 -0.498 4.403 6.130 1.00 0.00 O ATOM 1581 CB GLU A 107 -1.114 3.319 9.254 1.00 0.00 C ATOM 1582 CG GLU A 107 -0.378 2.062 8.785 1.00 0.00 C ATOM 1583 CD GLU A 107 1.103 2.119 9.166 1.00 0.00 C ATOM 1584 OE1 GLU A 107 1.382 1.983 10.377 1.00 0.00 O ATOM 1585 OE2 GLU A 107 1.921 2.297 8.239 1.00 0.00 O ATOM 0 H GLU A 107 -2.403 2.060 7.551 1.00 0.00 H new ATOM 0 HA GLU A 107 -2.565 4.690 8.506 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -0.405 4.012 9.707 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -1.838 3.055 10.025 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -0.838 1.180 9.230 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -0.475 1.961 7.704 1.00 0.00 H new ATOM 1592 N GLN A 108 -0.425 5.939 7.788 1.00 0.00 N ATOM 1593 CA GLN A 108 0.511 6.807 7.094 1.00 0.00 C ATOM 1594 C GLN A 108 1.943 6.301 7.283 1.00 0.00 C ATOM 1595 O GLN A 108 2.571 6.572 8.305 1.00 0.00 O ATOM 1596 CB GLN A 108 0.374 8.254 7.570 1.00 0.00 C ATOM 1597 CG GLN A 108 -0.503 9.065 6.614 1.00 0.00 C ATOM 1598 CD GLN A 108 -0.151 10.553 6.676 1.00 0.00 C ATOM 1599 OE1 GLN A 108 0.313 11.066 7.681 1.00 0.00 O ATOM 1600 NE2 GLN A 108 -0.398 11.214 5.549 1.00 0.00 N ATOM 0 H GLN A 108 -0.715 6.273 8.707 1.00 0.00 H new ATOM 0 HA GLN A 108 0.276 6.786 6.030 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -0.059 8.272 8.570 1.00 0.00 H new ATOM 0 HB3 GLN A 108 1.360 8.712 7.641 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -0.372 8.699 5.596 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -1.553 8.925 6.871 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -0.787 10.723 4.744 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -0.198 12.212 5.489 1.00 0.00 H new ATOM 1609 N TYR A 109 2.417 5.574 6.282 1.00 0.00 N ATOM 1610 CA TYR A 109 3.763 5.028 6.325 1.00 0.00 C ATOM 1611 C TYR A 109 4.794 6.078 5.907 1.00 0.00 C ATOM 1612 O TYR A 109 4.779 6.552 4.772 1.00 0.00 O ATOM 1613 CB TYR A 109 3.784 3.880 5.314 1.00 0.00 C ATOM 1614 CG TYR A 109 4.850 2.820 5.599 1.00 0.00 C ATOM 1615 CD1 TYR A 109 6.018 3.172 6.245 1.00 0.00 C ATOM 1616 CD2 TYR A 109 4.644 1.512 5.210 1.00 0.00 C ATOM 1617 CE1 TYR A 109 7.021 2.174 6.513 1.00 0.00 C ATOM 1618 CE2 TYR A 109 5.647 0.514 5.479 1.00 0.00 C ATOM 1619 CZ TYR A 109 6.786 0.894 6.117 1.00 0.00 C ATOM 1620 OH TYR A 109 7.734 -0.048 6.370 1.00 0.00 O ATOM 0 H TYR A 109 1.893 5.350 5.436 1.00 0.00 H new ATOM 0 HA TYR A 109 4.013 4.701 7.334 1.00 0.00 H new ATOM 0 HB2 TYR A 109 2.805 3.402 5.302 1.00 0.00 H new ATOM 0 HB3 TYR A 109 3.951 4.290 4.318 1.00 0.00 H new ATOM 0 HD1 TYR A 109 6.180 4.196 6.549 1.00 0.00 H new ATOM 0 HD2 TYR A 109 3.731 1.237 4.704 1.00 0.00 H new ATOM 0 HE1 TYR A 109 7.939 2.436 7.017 1.00 0.00 H new ATOM 0 HE2 TYR A 109 5.498 -0.513 5.181 1.00 0.00 H new ATOM 0 HH TYR A 109 7.430 -0.917 6.033 1.00 0.00 H new ATOM 1630 N LEU A 110 5.666 6.412 6.847 1.00 0.00 N ATOM 1631 CA LEU A 110 6.703 7.397 6.591 1.00 0.00 C ATOM 1632 C LEU A 110 8.075 6.752 6.797 1.00 0.00 C ATOM 1633 O LEU A 110 8.490 6.516 7.931 1.00 0.00 O ATOM 1634 CB LEU A 110 6.476 8.647 7.444 1.00 0.00 C ATOM 1635 CG LEU A 110 7.455 9.801 7.217 1.00 0.00 C ATOM 1636 CD1 LEU A 110 7.789 9.952 5.731 1.00 0.00 C ATOM 1637 CD2 LEU A 110 6.920 11.101 7.820 1.00 0.00 C ATOM 0 H LEU A 110 5.676 6.018 7.788 1.00 0.00 H new ATOM 0 HA LEU A 110 6.662 7.734 5.555 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.466 9.012 7.257 1.00 0.00 H new ATOM 0 HB3 LEU A 110 6.522 8.359 8.494 1.00 0.00 H new ATOM 0 HG LEU A 110 8.386 9.566 7.734 1.00 0.00 H new ATOM 0 HD11 LEU A 110 8.486 10.779 5.597 1.00 0.00 H new ATOM 0 HD12 LEU A 110 8.243 9.031 5.365 1.00 0.00 H new ATOM 0 HD13 LEU A 110 6.876 10.154 5.171 1.00 0.00 H new ATOM 0 HD21 LEU A 110 7.635 11.905 7.645 1.00 0.00 H new ATOM 0 HD22 LEU A 110 5.968 11.354 7.353 1.00 0.00 H new ATOM 0 HD23 LEU A 110 6.775 10.972 8.893 1.00 0.00 H new ATOM 1649 N THR A 111 8.741 6.486 5.684 1.00 0.00 N ATOM 1650 CA THR A 111 10.058 5.874 5.728 1.00 0.00 C ATOM 1651 C THR A 111 11.028 6.751 6.522 1.00 0.00 C ATOM 1652 O THR A 111 10.694 7.876 6.891 1.00 0.00 O ATOM 1653 CB THR A 111 10.509 5.618 4.288 1.00 0.00 C ATOM 1654 OG1 THR A 111 10.502 6.910 3.687 1.00 0.00 O ATOM 1655 CG2 THR A 111 9.476 4.827 3.483 1.00 0.00 C ATOM 0 H THR A 111 8.393 6.683 4.746 1.00 0.00 H new ATOM 0 HA THR A 111 10.032 4.918 6.251 1.00 0.00 H new ATOM 0 HB THR A 111 11.455 5.077 4.295 1.00 0.00 H new ATOM 0 HG1 THR A 111 10.276 6.828 2.737 1.00 0.00 H new ATOM 0 HG21 THR A 111 9.845 4.673 2.469 1.00 0.00 H new ATOM 0 HG22 THR A 111 9.307 3.861 3.958 1.00 0.00 H new ATOM 0 HG23 THR A 111 8.539 5.383 3.447 1.00 0.00 H new ATOM 1663 N LYS A 112 12.211 6.203 6.761 1.00 0.00 N ATOM 1664 CA LYS A 112 13.232 6.922 7.504 1.00 0.00 C ATOM 1665 C LYS A 112 13.493 8.270 6.829 1.00 0.00 C ATOM 1666 O LYS A 112 13.619 8.343 5.608 1.00 0.00 O ATOM 1667 CB LYS A 112 14.486 6.060 7.663 1.00 0.00 C ATOM 1668 CG LYS A 112 14.178 4.786 8.452 1.00 0.00 C ATOM 1669 CD LYS A 112 13.629 5.120 9.840 1.00 0.00 C ATOM 1670 CE LYS A 112 14.203 4.176 10.899 1.00 0.00 C ATOM 1671 NZ LYS A 112 13.250 3.081 11.188 1.00 0.00 N ATOM 0 H LYS A 112 12.485 5.270 6.453 1.00 0.00 H new ATOM 0 HA LYS A 112 12.889 7.133 8.517 1.00 0.00 H new ATOM 0 HB2 LYS A 112 14.879 5.798 6.681 1.00 0.00 H new ATOM 0 HB3 LYS A 112 15.261 6.630 8.174 1.00 0.00 H new ATOM 0 HG2 LYS A 112 13.453 4.182 7.906 1.00 0.00 H new ATOM 0 HG3 LYS A 112 15.083 4.187 8.550 1.00 0.00 H new ATOM 0 HD2 LYS A 112 13.876 6.151 10.094 1.00 0.00 H new ATOM 0 HD3 LYS A 112 12.542 5.045 9.832 1.00 0.00 H new ATOM 0 HE2 LYS A 112 15.149 3.761 10.550 1.00 0.00 H new ATOM 0 HE3 LYS A 112 14.416 4.731 11.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 13.655 2.450 11.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 12.357 3.482 11.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 13.067 2.541 10.318 1.00 0.00 H new ATOM 1685 N ALA A 113 13.568 9.304 7.654 1.00 0.00 N ATOM 1686 CA ALA A 113 13.813 10.646 7.153 1.00 0.00 C ATOM 1687 C ALA A 113 14.662 11.417 8.165 1.00 0.00 C ATOM 1688 O ALA A 113 14.290 12.511 8.587 1.00 0.00 O ATOM 1689 CB ALA A 113 12.477 11.335 6.866 1.00 0.00 C ATOM 0 H ALA A 113 13.463 9.240 8.667 1.00 0.00 H new ATOM 0 HA ALA A 113 14.369 10.611 6.216 1.00 0.00 H new ATOM 0 HB1 ALA A 113 12.660 12.342 6.490 1.00 0.00 H new ATOM 0 HB2 ALA A 113 11.926 10.763 6.119 1.00 0.00 H new ATOM 0 HB3 ALA A 113 11.892 11.391 7.784 1.00 0.00 H new ATOM 1695 N SER A 114 15.787 10.817 8.525 1.00 0.00 N ATOM 1696 CA SER A 114 16.691 11.433 9.480 1.00 0.00 C ATOM 1697 C SER A 114 15.904 11.962 10.681 1.00 0.00 C ATOM 1698 O SER A 114 15.972 13.148 10.999 1.00 0.00 O ATOM 1699 CB SER A 114 17.491 12.565 8.830 1.00 0.00 C ATOM 1700 OG SER A 114 18.766 12.123 8.374 1.00 0.00 O ATOM 0 H SER A 114 16.093 9.910 8.172 1.00 0.00 H new ATOM 0 HA SER A 114 17.396 10.675 9.821 1.00 0.00 H new ATOM 0 HB2 SER A 114 16.927 12.972 7.991 1.00 0.00 H new ATOM 0 HB3 SER A 114 17.623 13.374 9.548 1.00 0.00 H new ATOM 0 HG SER A 114 19.245 12.873 7.964 1.00 0.00 H new ATOM 1706 N GLU A 115 15.175 11.056 11.315 1.00 0.00 N ATOM 1707 CA GLU A 115 14.376 11.416 12.474 1.00 0.00 C ATOM 1708 C GLU A 115 13.883 10.157 13.191 1.00 0.00 C ATOM 1709 O GLU A 115 13.722 9.108 12.570 1.00 0.00 O ATOM 1710 CB GLU A 115 13.203 12.313 12.074 1.00 0.00 C ATOM 1711 CG GLU A 115 11.937 11.488 11.836 1.00 0.00 C ATOM 1712 CD GLU A 115 10.813 12.359 11.272 1.00 0.00 C ATOM 1713 OE1 GLU A 115 10.852 12.616 10.050 1.00 0.00 O ATOM 1714 OE2 GLU A 115 9.939 12.748 12.077 1.00 0.00 O ATOM 0 H GLU A 115 15.121 10.073 11.048 1.00 0.00 H new ATOM 0 HA GLU A 115 15.005 11.981 13.163 1.00 0.00 H new ATOM 0 HB2 GLU A 115 13.020 13.049 12.857 1.00 0.00 H new ATOM 0 HB3 GLU A 115 13.456 12.866 11.170 1.00 0.00 H new ATOM 0 HG2 GLU A 115 12.154 10.674 11.144 1.00 0.00 H new ATOM 0 HG3 GLU A 115 11.614 11.033 12.772 1.00 0.00 H new ATOM 1721 N PRO A 116 13.652 10.307 14.523 1.00 0.00 N ATOM 1722 CA PRO A 116 13.181 9.195 15.331 1.00 0.00 C ATOM 1723 C PRO A 116 11.700 8.917 15.070 1.00 0.00 C ATOM 1724 O PRO A 116 11.341 7.842 14.593 1.00 0.00 O ATOM 1725 CB PRO A 116 13.465 9.605 16.767 1.00 0.00 C ATOM 1726 CG PRO A 116 13.654 11.113 16.741 1.00 0.00 C ATOM 1727 CD PRO A 116 13.833 11.535 15.292 1.00 0.00 C ATOM 0 HA PRO A 116 13.683 8.258 15.092 1.00 0.00 H new ATOM 0 HB2 PRO A 116 12.640 9.326 17.423 1.00 0.00 H new ATOM 0 HB3 PRO A 116 14.357 9.106 17.146 1.00 0.00 H new ATOM 0 HG2 PRO A 116 12.791 11.614 17.181 1.00 0.00 H new ATOM 0 HG3 PRO A 116 14.524 11.399 17.332 1.00 0.00 H new ATOM 0 HD2 PRO A 116 13.102 12.292 15.007 1.00 0.00 H new ATOM 0 HD3 PRO A 116 14.820 11.966 15.124 1.00 0.00 H new ATOM 1735 N ASP A 117 10.879 9.905 15.395 1.00 0.00 N ATOM 1736 CA ASP A 117 9.444 9.780 15.202 1.00 0.00 C ATOM 1737 C ASP A 117 9.171 9.147 13.836 1.00 0.00 C ATOM 1738 O ASP A 117 10.047 9.122 12.973 1.00 0.00 O ATOM 1739 CB ASP A 117 8.763 11.150 15.233 1.00 0.00 C ATOM 1740 CG ASP A 117 7.695 11.317 16.316 1.00 0.00 C ATOM 1741 OD1 ASP A 117 6.549 10.893 16.053 1.00 0.00 O ATOM 1742 OD2 ASP A 117 8.049 11.864 17.383 1.00 0.00 O ATOM 0 H ASP A 117 11.180 10.796 15.791 1.00 0.00 H new ATOM 0 HA ASP A 117 9.048 9.162 16.008 1.00 0.00 H new ATOM 0 HB2 ASP A 117 9.526 11.915 15.375 1.00 0.00 H new ATOM 0 HB3 ASP A 117 8.305 11.333 14.261 1.00 0.00 H new ATOM 1747 N LYS A 118 7.952 8.651 13.683 1.00 0.00 N ATOM 1748 CA LYS A 118 7.552 8.019 12.437 1.00 0.00 C ATOM 1749 C LYS A 118 7.133 9.097 11.435 1.00 0.00 C ATOM 1750 O LYS A 118 7.872 9.402 10.500 1.00 0.00 O ATOM 1751 CB LYS A 118 6.474 6.965 12.692 1.00 0.00 C ATOM 1752 CG LYS A 118 7.100 5.607 13.018 1.00 0.00 C ATOM 1753 CD LYS A 118 7.441 4.840 11.738 1.00 0.00 C ATOM 1754 CE LYS A 118 6.486 3.662 11.535 1.00 0.00 C ATOM 1755 NZ LYS A 118 5.592 3.913 10.382 1.00 0.00 N ATOM 0 H LYS A 118 7.228 8.674 14.401 1.00 0.00 H new ATOM 0 HA LYS A 118 8.392 7.482 11.996 1.00 0.00 H new ATOM 0 HB2 LYS A 118 5.837 7.283 13.517 1.00 0.00 H new ATOM 0 HB3 LYS A 118 5.835 6.873 11.814 1.00 0.00 H new ATOM 0 HG2 LYS A 118 8.003 5.752 13.611 1.00 0.00 H new ATOM 0 HG3 LYS A 118 6.410 5.021 13.625 1.00 0.00 H new ATOM 0 HD2 LYS A 118 7.384 5.511 10.881 1.00 0.00 H new ATOM 0 HD3 LYS A 118 8.467 4.476 11.790 1.00 0.00 H new ATOM 0 HE2 LYS A 118 7.056 2.748 11.368 1.00 0.00 H new ATOM 0 HE3 LYS A 118 5.893 3.508 12.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 4.950 3.104 10.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 5.035 4.774 10.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 6.162 4.038 9.521 1.00 0.00 H new ATOM 1769 N ASN A 119 5.949 9.646 11.665 1.00 0.00 N ATOM 1770 CA ASN A 119 5.423 10.683 10.795 1.00 0.00 C ATOM 1771 C ASN A 119 4.852 11.817 11.648 1.00 0.00 C ATOM 1772 O ASN A 119 4.252 11.571 12.693 1.00 0.00 O ATOM 1773 CB ASN A 119 4.297 10.142 9.912 1.00 0.00 C ATOM 1774 CG ASN A 119 3.593 11.277 9.164 1.00 0.00 C ATOM 1775 OD1 ASN A 119 3.068 12.209 9.750 1.00 0.00 O ATOM 1776 ND2 ASN A 119 3.613 11.147 7.841 1.00 0.00 N ATOM 0 H ASN A 119 5.339 9.392 12.442 1.00 0.00 H new ATOM 0 HA ASN A 119 6.237 11.039 10.163 1.00 0.00 H new ATOM 0 HB2 ASN A 119 4.703 9.427 9.196 1.00 0.00 H new ATOM 0 HB3 ASN A 119 3.575 9.604 10.526 1.00 0.00 H new ATOM 0 HD21 ASN A 119 3.171 11.853 7.252 1.00 0.00 H new ATOM 0 HD22 ASN A 119 4.070 10.341 7.415 1.00 0.00 H new ATOM 1783 N PRO A 120 5.063 13.068 11.157 1.00 0.00 N ATOM 1784 CA PRO A 120 4.576 14.241 11.863 1.00 0.00 C ATOM 1785 C PRO A 120 3.063 14.393 11.695 1.00 0.00 C ATOM 1786 O PRO A 120 2.594 14.862 10.659 1.00 0.00 O ATOM 1787 CB PRO A 120 5.359 15.405 11.278 1.00 0.00 C ATOM 1788 CG PRO A 120 5.914 14.910 9.953 1.00 0.00 C ATOM 1789 CD PRO A 120 5.769 13.398 9.922 1.00 0.00 C ATOM 0 HA PRO A 120 4.728 14.177 12.940 1.00 0.00 H new ATOM 0 HB2 PRO A 120 4.717 16.274 11.132 1.00 0.00 H new ATOM 0 HB3 PRO A 120 6.162 15.711 11.948 1.00 0.00 H new ATOM 0 HG2 PRO A 120 5.375 15.362 9.121 1.00 0.00 H new ATOM 0 HG3 PRO A 120 6.961 15.195 9.847 1.00 0.00 H new ATOM 0 HD2 PRO A 120 5.208 13.072 9.046 1.00 0.00 H new ATOM 0 HD3 PRO A 120 6.742 12.908 9.879 1.00 0.00 H new ATOM 1797 N THR A 121 2.341 13.988 12.729 1.00 0.00 N ATOM 1798 CA THR A 121 0.890 14.073 12.709 1.00 0.00 C ATOM 1799 C THR A 121 0.431 15.461 13.161 1.00 0.00 C ATOM 1800 O THR A 121 0.376 15.741 14.357 1.00 0.00 O ATOM 1801 CB THR A 121 0.338 12.939 13.574 1.00 0.00 C ATOM 1802 OG1 THR A 121 0.560 11.767 12.793 1.00 0.00 O ATOM 1803 CG2 THR A 121 -1.183 13.004 13.723 1.00 0.00 C ATOM 0 H THR A 121 2.733 13.600 13.587 1.00 0.00 H new ATOM 0 HA THR A 121 0.500 13.949 11.699 1.00 0.00 H new ATOM 0 HB THR A 121 0.802 12.976 14.560 1.00 0.00 H new ATOM 0 HG1 THR A 121 0.233 10.982 13.280 1.00 0.00 H new ATOM 0 HG21 THR A 121 -1.523 12.177 14.346 1.00 0.00 H new ATOM 0 HG22 THR A 121 -1.463 13.949 14.189 1.00 0.00 H new ATOM 0 HG23 THR A 121 -1.648 12.933 12.740 1.00 0.00 H new ATOM 1811 N SER A 122 0.114 16.293 12.180 1.00 0.00 N ATOM 1812 CA SER A 122 -0.339 17.645 12.462 1.00 0.00 C ATOM 1813 C SER A 122 -1.854 17.740 12.273 1.00 0.00 C ATOM 1814 O SER A 122 -2.423 17.041 11.435 1.00 0.00 O ATOM 1815 CB SER A 122 0.373 18.662 11.567 1.00 0.00 C ATOM 1816 OG SER A 122 1.555 19.174 12.176 1.00 0.00 O ATOM 0 H SER A 122 0.162 16.057 11.189 1.00 0.00 H new ATOM 0 HA SER A 122 -0.094 17.879 13.498 1.00 0.00 H new ATOM 0 HB2 SER A 122 0.629 18.192 10.617 1.00 0.00 H new ATOM 0 HB3 SER A 122 -0.305 19.485 11.343 1.00 0.00 H new ATOM 0 HG SER A 122 1.981 19.818 11.573 1.00 0.00 H new ATOM 1822 N GLY A 123 -2.464 18.610 13.064 1.00 0.00 N ATOM 1823 CA GLY A 123 -3.902 18.805 12.994 1.00 0.00 C ATOM 1824 C GLY A 123 -4.623 17.945 14.034 1.00 0.00 C ATOM 1825 O GLY A 123 -4.068 16.964 14.527 1.00 0.00 O ATOM 0 H GLY A 123 -1.988 19.188 13.757 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -4.139 19.856 13.159 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -4.259 18.551 11.996 1.00 0.00 H new ATOM 1829 N PRO A 124 -5.882 18.355 14.345 1.00 0.00 N ATOM 1830 CA PRO A 124 -6.685 17.634 15.318 1.00 0.00 C ATOM 1831 C PRO A 124 -7.219 16.327 14.727 1.00 0.00 C ATOM 1832 O PRO A 124 -7.824 16.328 13.656 1.00 0.00 O ATOM 1833 CB PRO A 124 -7.788 18.602 15.713 1.00 0.00 C ATOM 1834 CG PRO A 124 -7.837 19.650 14.613 1.00 0.00 C ATOM 1835 CD PRO A 124 -6.572 19.512 13.782 1.00 0.00 C ATOM 0 HA PRO A 124 -6.111 17.327 16.193 1.00 0.00 H new ATOM 0 HB2 PRO A 124 -8.745 18.088 15.805 1.00 0.00 H new ATOM 0 HB3 PRO A 124 -7.578 19.060 16.680 1.00 0.00 H new ATOM 0 HG2 PRO A 124 -8.720 19.509 13.990 1.00 0.00 H new ATOM 0 HG3 PRO A 124 -7.905 20.650 15.041 1.00 0.00 H new ATOM 0 HD2 PRO A 124 -6.805 19.360 12.728 1.00 0.00 H new ATOM 0 HD3 PRO A 124 -5.957 20.409 13.846 1.00 0.00 H new ATOM 1843 N SER A 125 -6.976 15.245 15.451 1.00 0.00 N ATOM 1844 CA SER A 125 -7.425 13.934 15.012 1.00 0.00 C ATOM 1845 C SER A 125 -8.601 13.469 15.872 1.00 0.00 C ATOM 1846 O SER A 125 -8.407 12.986 16.987 1.00 0.00 O ATOM 1847 CB SER A 125 -6.287 12.914 15.071 1.00 0.00 C ATOM 1848 OG SER A 125 -5.390 13.048 13.972 1.00 0.00 O ATOM 0 H SER A 125 -6.474 15.249 16.339 1.00 0.00 H new ATOM 0 HA SER A 125 -7.751 14.013 13.975 1.00 0.00 H new ATOM 0 HB2 SER A 125 -5.738 13.038 16.004 1.00 0.00 H new ATOM 0 HB3 SER A 125 -6.703 11.907 15.078 1.00 0.00 H new ATOM 0 HG SER A 125 -4.677 12.380 14.048 1.00 0.00 H new ATOM 1854 N SER A 126 -9.796 13.630 15.322 1.00 0.00 N ATOM 1855 CA SER A 126 -11.003 13.232 16.025 1.00 0.00 C ATOM 1856 C SER A 126 -11.356 11.783 15.681 1.00 0.00 C ATOM 1857 O SER A 126 -11.117 11.331 14.563 1.00 0.00 O ATOM 1858 CB SER A 126 -12.172 14.158 15.681 1.00 0.00 C ATOM 1859 OG SER A 126 -12.607 14.910 16.810 1.00 0.00 O ATOM 0 H SER A 126 -9.954 14.031 14.397 1.00 0.00 H new ATOM 0 HA SER A 126 -10.816 13.310 17.096 1.00 0.00 H new ATOM 0 HB2 SER A 126 -11.872 14.840 14.885 1.00 0.00 H new ATOM 0 HB3 SER A 126 -13.003 13.566 15.298 1.00 0.00 H new ATOM 0 HG SER A 126 -13.353 15.490 16.549 1.00 0.00 H new ATOM 1865 N GLY A 127 -11.918 11.096 16.665 1.00 0.00 N ATOM 1866 CA GLY A 127 -12.305 9.707 16.480 1.00 0.00 C ATOM 1867 C GLY A 127 -13.144 9.536 15.213 1.00 0.00 C ATOM 1868 O GLY A 127 -14.205 8.913 15.245 1.00 0.00 O ATOM 0 H GLY A 127 -12.114 11.474 17.592 1.00 0.00 H new ATOM 0 HA2 GLY A 127 -11.414 9.083 16.417 1.00 0.00 H new ATOM 0 HA3 GLY A 127 -12.873 9.366 17.345 1.00 0.00 H new TER 1872 GLY A 127