USER MOD reduce.3.24.130724 H: found=0, std=0, add=650, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 645 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 68 TYR OH : rot 180:sc= -0.119 USER MOD Set 1.2: A 73 HIS : no HD1:sc= 0 X(o=-0.12,f=-0.32) USER MOD Set 2.1: A 40 ASN : amide:sc= -1.28 X(o=-1.3,f=-0.83!) USER MOD Set 2.2: A 42 SER OG : rot 119:sc= 0.0276 USER MOD Set 3.1: A 25 LYS NZ :NH3+ -159:sc= 0.295 (180deg=0) USER MOD Set 3.2: A 56 TYR OH : rot 180:sc= 0.298 USER MOD Set 3.3: A 60 SER OG : rot 99:sc= 0.234 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot -18:sc= 0.0449 USER MOD Single : A 10 TYR OH : rot -112:sc= 0.334 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.0282 X(o=-0.028,f=-0.29) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= -0.0469 X(o=-0.047,f=-0.036) USER MOD Single : A 30 LYS NZ :NH3+ -122:sc= -0.837 (180deg=-2.31!) USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 180:sc=-0.00866 USER MOD Single : A 36 HIS : no HD1:sc= -1.91 K(o=-1.9,f=-5.8!) USER MOD Single : A 39 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0102) USER MOD Single : A 41 LYS NZ :NH3+ 146:sc= 0.677 (180deg=0.137) USER MOD Single : A 48 LYS NZ :NH3+ -115:sc= -1.99! (180deg=-4.63!) USER MOD Single : A 58 THR OG1 : rot 162:sc= 0.548 USER MOD Single : A 63 ASN : amide:sc= -0.338 X(o=-0.34,f=-0.031) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= -0.0282 USER MOD Single : A 77 THR OG1 : rot -119:sc= 1.27 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc=-0.00856 K(o=-0.0086,f=-1.2!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= -0.122 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 18.323 8.937 -14.573 1.00 0.00 N ATOM 2 CA GLY A 1 18.801 7.973 -13.600 1.00 0.00 C ATOM 3 C GLY A 1 17.770 7.665 -12.533 1.00 0.00 C ATOM 4 O GLY A 1 17.009 6.705 -12.655 1.00 0.00 O ATOM 0 H1 GLY A 1 19.065 9.113 -15.280 1.00 0.00 H new ATOM 0 H2 GLY A 1 17.476 8.562 -15.046 1.00 0.00 H new ATOM 0 H3 GLY A 1 18.085 9.828 -14.091 1.00 0.00 H new ATOM 0 HA2 GLY A 1 19.076 7.051 -14.112 1.00 0.00 H new ATOM 0 HA3 GLY A 1 19.705 8.357 -13.127 1.00 0.00 H new ATOM 8 N SER A 2 17.744 8.480 -11.484 1.00 0.00 N ATOM 9 CA SER A 2 16.802 8.287 -10.388 1.00 0.00 C ATOM 10 C SER A 2 15.470 8.966 -10.691 1.00 0.00 C ATOM 11 O SER A 2 15.276 10.142 -10.384 1.00 0.00 O ATOM 12 CB SER A 2 17.383 8.837 -9.084 1.00 0.00 C ATOM 13 OG SER A 2 18.536 8.112 -8.694 1.00 0.00 O ATOM 0 H SER A 2 18.365 9.281 -11.370 1.00 0.00 H new ATOM 0 HA SER A 2 16.628 7.217 -10.276 1.00 0.00 H new ATOM 0 HB2 SER A 2 17.637 9.889 -9.211 1.00 0.00 H new ATOM 0 HB3 SER A 2 16.632 8.783 -8.296 1.00 0.00 H new ATOM 0 HG SER A 2 18.889 8.484 -7.859 1.00 0.00 H new ATOM 19 N SER A 3 14.554 8.216 -11.296 1.00 0.00 N ATOM 20 CA SER A 3 13.241 8.745 -11.645 1.00 0.00 C ATOM 21 C SER A 3 12.152 8.104 -10.789 1.00 0.00 C ATOM 22 O SER A 3 12.254 6.939 -10.405 1.00 0.00 O ATOM 23 CB SER A 3 12.948 8.505 -13.127 1.00 0.00 C ATOM 24 OG SER A 3 11.777 9.191 -13.533 1.00 0.00 O ATOM 0 H SER A 3 14.697 7.240 -11.555 1.00 0.00 H new ATOM 0 HA SER A 3 13.246 9.818 -11.452 1.00 0.00 H new ATOM 0 HB2 SER A 3 13.795 8.838 -13.727 1.00 0.00 H new ATOM 0 HB3 SER A 3 12.829 7.437 -13.309 1.00 0.00 H new ATOM 0 HG SER A 3 11.613 9.023 -14.484 1.00 0.00 H new ATOM 30 N GLY A 4 11.109 8.874 -10.494 1.00 0.00 N ATOM 31 CA GLY A 4 10.016 8.366 -9.686 1.00 0.00 C ATOM 32 C GLY A 4 9.471 9.406 -8.728 1.00 0.00 C ATOM 33 O GLY A 4 9.983 9.569 -7.620 1.00 0.00 O ATOM 0 H GLY A 4 11.002 9.841 -10.800 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.214 8.023 -10.340 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.359 7.500 -9.120 1.00 0.00 H new ATOM 37 N SER A 5 8.430 10.114 -9.155 1.00 0.00 N ATOM 38 CA SER A 5 7.819 11.148 -8.328 1.00 0.00 C ATOM 39 C SER A 5 6.543 10.633 -7.669 1.00 0.00 C ATOM 40 O SER A 5 5.744 9.938 -8.296 1.00 0.00 O ATOM 41 CB SER A 5 7.506 12.386 -9.172 1.00 0.00 C ATOM 42 OG SER A 5 8.695 13.001 -9.635 1.00 0.00 O ATOM 0 H SER A 5 7.992 9.991 -10.068 1.00 0.00 H new ATOM 0 HA SER A 5 8.528 11.419 -7.545 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.884 12.103 -10.022 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.931 13.098 -8.580 1.00 0.00 H new ATOM 0 HG SER A 5 8.468 13.788 -10.173 1.00 0.00 H new ATOM 48 N SER A 6 6.360 10.979 -6.398 1.00 0.00 N ATOM 49 CA SER A 6 5.184 10.549 -5.651 1.00 0.00 C ATOM 50 C SER A 6 3.978 11.420 -5.988 1.00 0.00 C ATOM 51 O SER A 6 4.121 12.520 -6.519 1.00 0.00 O ATOM 52 CB SER A 6 5.462 10.602 -4.147 1.00 0.00 C ATOM 53 OG SER A 6 5.385 11.931 -3.662 1.00 0.00 O ATOM 0 H SER A 6 7.011 11.556 -5.865 1.00 0.00 H new ATOM 0 HA SER A 6 4.959 9.521 -5.936 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.743 9.976 -3.619 1.00 0.00 H new ATOM 0 HB3 SER A 6 6.451 10.193 -3.942 1.00 0.00 H new ATOM 0 HG SER A 6 5.565 11.939 -2.699 1.00 0.00 H new ATOM 59 N GLY A 7 2.787 10.917 -5.674 1.00 0.00 N ATOM 60 CA GLY A 7 1.572 11.661 -5.951 1.00 0.00 C ATOM 61 C GLY A 7 0.327 10.929 -5.491 1.00 0.00 C ATOM 62 O GLY A 7 -0.280 11.296 -4.485 1.00 0.00 O ATOM 0 H GLY A 7 2.643 10.009 -5.233 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.623 12.631 -5.457 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.503 11.852 -7.022 1.00 0.00 H new ATOM 66 N SER A 8 -0.055 9.893 -6.230 1.00 0.00 N ATOM 67 CA SER A 8 -1.240 9.111 -5.895 1.00 0.00 C ATOM 68 C SER A 8 -0.856 7.829 -5.163 1.00 0.00 C ATOM 69 O SER A 8 0.277 7.358 -5.265 1.00 0.00 O ATOM 70 CB SER A 8 -2.028 8.771 -7.162 1.00 0.00 C ATOM 71 OG SER A 8 -2.506 9.945 -7.795 1.00 0.00 O ATOM 0 H SER A 8 0.438 9.575 -7.064 1.00 0.00 H new ATOM 0 HA SER A 8 -1.867 9.712 -5.236 1.00 0.00 H new ATOM 0 HB2 SER A 8 -1.392 8.215 -7.851 1.00 0.00 H new ATOM 0 HB3 SER A 8 -2.867 8.123 -6.909 1.00 0.00 H new ATOM 0 HG SER A 8 -3.005 9.701 -8.603 1.00 0.00 H new ATOM 77 N TYR A 9 -1.807 7.270 -4.423 1.00 0.00 N ATOM 78 CA TYR A 9 -1.569 6.044 -3.671 1.00 0.00 C ATOM 79 C TYR A 9 -0.961 4.966 -4.564 1.00 0.00 C ATOM 80 O TYR A 9 0.144 4.485 -4.311 1.00 0.00 O ATOM 81 CB TYR A 9 -2.874 5.536 -3.056 1.00 0.00 C ATOM 82 CG TYR A 9 -3.564 6.553 -2.176 1.00 0.00 C ATOM 83 CD1 TYR A 9 -2.830 7.466 -1.429 1.00 0.00 C ATOM 84 CD2 TYR A 9 -4.950 6.601 -2.090 1.00 0.00 C ATOM 85 CE1 TYR A 9 -3.457 8.397 -0.622 1.00 0.00 C ATOM 86 CE2 TYR A 9 -5.585 7.529 -1.288 1.00 0.00 C ATOM 87 CZ TYR A 9 -4.834 8.425 -0.556 1.00 0.00 C ATOM 88 OH TYR A 9 -5.463 9.350 0.246 1.00 0.00 O ATOM 0 H TYR A 9 -2.750 7.647 -4.328 1.00 0.00 H new ATOM 0 HA TYR A 9 -0.863 6.270 -2.872 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -3.552 5.241 -3.856 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -2.665 4.642 -2.469 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -1.751 7.448 -1.480 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -5.541 5.900 -2.660 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -2.871 9.099 -0.046 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -6.663 7.553 -1.234 1.00 0.00 H new ATOM 0 HH TYR A 9 -4.825 9.703 0.901 1.00 0.00 H new ATOM 98 N TYR A 10 -1.691 4.592 -5.609 1.00 0.00 N ATOM 99 CA TYR A 10 -1.227 3.571 -6.539 1.00 0.00 C ATOM 100 C TYR A 10 0.269 3.713 -6.803 1.00 0.00 C ATOM 101 O TYR A 10 0.971 2.724 -7.016 1.00 0.00 O ATOM 102 CB TYR A 10 -1.999 3.662 -7.857 1.00 0.00 C ATOM 103 CG TYR A 10 -3.484 3.418 -7.706 1.00 0.00 C ATOM 104 CD1 TYR A 10 -3.960 2.285 -7.059 1.00 0.00 C ATOM 105 CD2 TYR A 10 -4.410 4.323 -8.210 1.00 0.00 C ATOM 106 CE1 TYR A 10 -5.316 2.058 -6.919 1.00 0.00 C ATOM 107 CE2 TYR A 10 -5.768 4.105 -8.074 1.00 0.00 C ATOM 108 CZ TYR A 10 -6.215 2.971 -7.429 1.00 0.00 C ATOM 109 OH TYR A 10 -7.567 2.750 -7.291 1.00 0.00 O ATOM 0 H TYR A 10 -2.607 4.981 -5.833 1.00 0.00 H new ATOM 0 HA TYR A 10 -1.407 2.596 -6.086 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -1.844 4.649 -8.292 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -1.589 2.936 -8.559 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -3.258 1.569 -6.658 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -4.063 5.212 -8.716 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -5.669 1.171 -6.414 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -6.475 4.819 -8.471 1.00 0.00 H new ATOM 0 HH TYR A 10 -7.960 2.567 -8.170 1.00 0.00 H new ATOM 119 N ASP A 11 0.750 4.952 -6.787 1.00 0.00 N ATOM 120 CA ASP A 11 2.163 5.226 -7.023 1.00 0.00 C ATOM 121 C ASP A 11 2.983 4.973 -5.762 1.00 0.00 C ATOM 122 O ASP A 11 4.049 4.357 -5.816 1.00 0.00 O ATOM 123 CB ASP A 11 2.353 6.670 -7.489 1.00 0.00 C ATOM 124 CG ASP A 11 2.250 6.812 -8.994 1.00 0.00 C ATOM 125 OD1 ASP A 11 1.126 6.689 -9.526 1.00 0.00 O ATOM 126 OD2 ASP A 11 3.292 7.046 -9.641 1.00 0.00 O ATOM 0 H ASP A 11 0.183 5.782 -6.613 1.00 0.00 H new ATOM 0 HA ASP A 11 2.514 4.551 -7.804 1.00 0.00 H new ATOM 0 HB2 ASP A 11 1.603 7.303 -7.015 1.00 0.00 H new ATOM 0 HB3 ASP A 11 3.328 7.030 -7.159 1.00 0.00 H new ATOM 131 N ILE A 12 2.481 5.452 -4.629 1.00 0.00 N ATOM 132 CA ILE A 12 3.167 5.277 -3.355 1.00 0.00 C ATOM 133 C ILE A 12 3.309 3.799 -3.005 1.00 0.00 C ATOM 134 O ILE A 12 4.358 3.359 -2.534 1.00 0.00 O ATOM 135 CB ILE A 12 2.425 5.995 -2.213 1.00 0.00 C ATOM 136 CG1 ILE A 12 2.258 7.481 -2.538 1.00 0.00 C ATOM 137 CG2 ILE A 12 3.173 5.814 -0.900 1.00 0.00 C ATOM 138 CD1 ILE A 12 1.357 8.213 -1.569 1.00 0.00 C ATOM 0 H ILE A 12 1.601 5.965 -4.567 1.00 0.00 H new ATOM 0 HA ILE A 12 4.158 5.718 -3.467 1.00 0.00 H new ATOM 0 HB ILE A 12 1.434 5.553 -2.108 1.00 0.00 H new ATOM 0 HG12 ILE A 12 3.239 7.957 -2.540 1.00 0.00 H new ATOM 0 HG13 ILE A 12 1.853 7.581 -3.545 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.636 6.327 -0.102 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.244 4.752 -0.665 1.00 0.00 H new ATOM 0 HG23 ILE A 12 4.175 6.233 -0.991 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.284 9.261 -1.860 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.365 7.763 -1.584 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.772 8.144 -0.563 1.00 0.00 H new ATOM 150 N LEU A 13 2.247 3.037 -3.241 1.00 0.00 N ATOM 151 CA LEU A 13 2.252 1.607 -2.953 1.00 0.00 C ATOM 152 C LEU A 13 2.910 0.826 -4.086 1.00 0.00 C ATOM 153 O LEU A 13 3.602 -0.164 -3.851 1.00 0.00 O ATOM 154 CB LEU A 13 0.824 1.105 -2.734 1.00 0.00 C ATOM 155 CG LEU A 13 0.099 1.658 -1.506 1.00 0.00 C ATOM 156 CD1 LEU A 13 -1.353 1.207 -1.495 1.00 0.00 C ATOM 157 CD2 LEU A 13 0.804 1.221 -0.230 1.00 0.00 C ATOM 0 H LEU A 13 1.371 3.385 -3.631 1.00 0.00 H new ATOM 0 HA LEU A 13 2.830 1.447 -2.043 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.235 1.348 -3.619 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.850 0.018 -2.657 1.00 0.00 H new ATOM 0 HG LEU A 13 0.119 2.747 -1.555 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.853 1.610 -0.614 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.853 1.569 -2.393 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.396 0.118 -1.470 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.275 1.623 0.634 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.814 0.132 -0.175 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.828 1.594 -0.234 1.00 0.00 H new ATOM 169 N GLY A 14 2.690 1.279 -5.316 1.00 0.00 N ATOM 170 CA GLY A 14 3.270 0.612 -6.467 1.00 0.00 C ATOM 171 C GLY A 14 2.338 -0.420 -7.070 1.00 0.00 C ATOM 172 O GLY A 14 2.779 -1.474 -7.527 1.00 0.00 O ATOM 0 H GLY A 14 2.120 2.096 -5.536 1.00 0.00 H new ATOM 0 HA2 GLY A 14 3.523 1.354 -7.224 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.201 0.128 -6.172 1.00 0.00 H new ATOM 176 N VAL A 15 1.043 -0.117 -7.069 1.00 0.00 N ATOM 177 CA VAL A 15 0.045 -1.027 -7.620 1.00 0.00 C ATOM 178 C VAL A 15 -0.735 -0.367 -8.751 1.00 0.00 C ATOM 179 O VAL A 15 -0.879 0.854 -8.810 1.00 0.00 O ATOM 180 CB VAL A 15 -0.942 -1.499 -6.536 1.00 0.00 C ATOM 181 CG1 VAL A 15 -0.296 -2.549 -5.646 1.00 0.00 C ATOM 182 CG2 VAL A 15 -1.432 -0.318 -5.712 1.00 0.00 C ATOM 0 H VAL A 15 0.661 0.751 -6.693 1.00 0.00 H new ATOM 0 HA VAL A 15 0.584 -1.890 -8.011 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.803 -1.953 -7.026 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.009 -2.870 -4.886 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.001 -3.406 -6.251 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.584 -2.125 -5.162 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.129 -0.669 -4.951 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.583 0.167 -5.231 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.936 0.396 -6.363 1.00 0.00 H new ATOM 192 N PRO A 16 -1.253 -1.193 -9.672 1.00 0.00 N ATOM 193 CA PRO A 16 -2.029 -0.712 -10.819 1.00 0.00 C ATOM 194 C PRO A 16 -3.390 -0.160 -10.408 1.00 0.00 C ATOM 195 O PRO A 16 -3.895 -0.467 -9.328 1.00 0.00 O ATOM 196 CB PRO A 16 -2.199 -1.965 -11.683 1.00 0.00 C ATOM 197 CG PRO A 16 -2.091 -3.102 -10.726 1.00 0.00 C ATOM 198 CD PRO A 16 -1.121 -2.660 -9.666 1.00 0.00 C ATOM 0 HA PRO A 16 -1.531 0.111 -11.331 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -3.162 -1.967 -12.193 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.430 -2.022 -12.454 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -3.062 -3.340 -10.292 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -1.737 -4.002 -11.228 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.370 -3.082 -8.692 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -0.103 -2.973 -9.898 1.00 0.00 H new ATOM 206 N LYS A 17 -3.978 0.656 -11.275 1.00 0.00 N ATOM 207 CA LYS A 17 -5.282 1.251 -11.003 1.00 0.00 C ATOM 208 C LYS A 17 -6.345 0.172 -10.822 1.00 0.00 C ATOM 209 O LYS A 17 -7.370 0.399 -10.180 1.00 0.00 O ATOM 210 CB LYS A 17 -5.684 2.191 -12.142 1.00 0.00 C ATOM 211 CG LYS A 17 -4.638 3.246 -12.458 1.00 0.00 C ATOM 212 CD LYS A 17 -4.294 4.075 -11.231 1.00 0.00 C ATOM 213 CE LYS A 17 -3.129 5.014 -11.502 1.00 0.00 C ATOM 214 NZ LYS A 17 -3.565 6.249 -12.211 1.00 0.00 N ATOM 0 H LYS A 17 -3.573 0.921 -12.173 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.207 1.822 -10.078 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.875 1.601 -13.038 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.619 2.686 -11.881 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.737 2.764 -12.837 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.006 3.900 -13.248 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.166 4.654 -10.925 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.044 3.413 -10.402 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -2.654 5.285 -10.559 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -2.378 4.498 -12.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -2.742 6.863 -12.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.995 5.993 -13.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -4.263 6.755 -11.629 1.00 0.00 H new ATOM 228 N SER A 18 -6.092 -1.003 -11.390 1.00 0.00 N ATOM 229 CA SER A 18 -7.029 -2.116 -11.292 1.00 0.00 C ATOM 230 C SER A 18 -6.475 -3.214 -10.389 1.00 0.00 C ATOM 231 O SER A 18 -6.917 -4.362 -10.446 1.00 0.00 O ATOM 232 CB SER A 18 -7.326 -2.684 -12.681 1.00 0.00 C ATOM 233 OG SER A 18 -8.616 -3.268 -12.728 1.00 0.00 O ATOM 0 H SER A 18 -5.247 -1.209 -11.922 1.00 0.00 H new ATOM 0 HA SER A 18 -7.955 -1.742 -10.855 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.255 -1.890 -13.425 1.00 0.00 H new ATOM 0 HB3 SER A 18 -6.576 -3.431 -12.940 1.00 0.00 H new ATOM 0 HG SER A 18 -8.782 -3.622 -13.627 1.00 0.00 H new ATOM 239 N ALA A 19 -5.503 -2.854 -9.557 1.00 0.00 N ATOM 240 CA ALA A 19 -4.890 -3.807 -8.641 1.00 0.00 C ATOM 241 C ALA A 19 -5.935 -4.447 -7.733 1.00 0.00 C ATOM 242 O ALA A 19 -6.736 -3.753 -7.108 1.00 0.00 O ATOM 243 CB ALA A 19 -3.815 -3.122 -7.809 1.00 0.00 C ATOM 0 H ALA A 19 -5.123 -1.909 -9.499 1.00 0.00 H new ATOM 0 HA ALA A 19 -4.429 -4.597 -9.233 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.365 -3.845 -7.129 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.047 -2.718 -8.468 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.262 -2.312 -7.233 1.00 0.00 H new ATOM 249 N SER A 20 -5.921 -5.774 -7.667 1.00 0.00 N ATOM 250 CA SER A 20 -6.870 -6.509 -6.839 1.00 0.00 C ATOM 251 C SER A 20 -6.480 -6.433 -5.367 1.00 0.00 C ATOM 252 O SER A 20 -5.309 -6.251 -5.033 1.00 0.00 O ATOM 253 CB SER A 20 -6.944 -7.971 -7.285 1.00 0.00 C ATOM 254 OG SER A 20 -8.173 -8.560 -6.898 1.00 0.00 O ATOM 0 H SER A 20 -5.263 -6.363 -8.177 1.00 0.00 H new ATOM 0 HA SER A 20 -7.851 -6.050 -6.960 1.00 0.00 H new ATOM 0 HB2 SER A 20 -6.834 -8.030 -8.368 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.116 -8.530 -6.849 1.00 0.00 H new ATOM 0 HG SER A 20 -8.197 -9.493 -7.196 1.00 0.00 H new ATOM 260 N GLU A 21 -7.470 -6.573 -4.490 1.00 0.00 N ATOM 261 CA GLU A 21 -7.230 -6.519 -3.053 1.00 0.00 C ATOM 262 C GLU A 21 -5.904 -7.186 -2.697 1.00 0.00 C ATOM 263 O GLU A 21 -5.057 -6.592 -2.030 1.00 0.00 O ATOM 264 CB GLU A 21 -8.374 -7.198 -2.297 1.00 0.00 C ATOM 265 CG GLU A 21 -8.516 -6.728 -0.859 1.00 0.00 C ATOM 266 CD GLU A 21 -9.833 -7.147 -0.236 1.00 0.00 C ATOM 267 OE1 GLU A 21 -10.102 -8.365 -0.181 1.00 0.00 O ATOM 268 OE2 GLU A 21 -10.595 -6.257 0.197 1.00 0.00 O ATOM 0 H GLU A 21 -8.445 -6.724 -4.750 1.00 0.00 H new ATOM 0 HA GLU A 21 -7.180 -5.471 -2.758 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.309 -7.011 -2.825 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.214 -8.276 -2.304 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.694 -7.130 -0.267 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.432 -5.642 -0.826 1.00 0.00 H new ATOM 275 N ARG A 22 -5.733 -8.425 -3.147 1.00 0.00 N ATOM 276 CA ARG A 22 -4.512 -9.174 -2.875 1.00 0.00 C ATOM 277 C ARG A 22 -3.283 -8.395 -3.332 1.00 0.00 C ATOM 278 O ARG A 22 -2.269 -8.353 -2.635 1.00 0.00 O ATOM 279 CB ARG A 22 -4.556 -10.534 -3.575 1.00 0.00 C ATOM 280 CG ARG A 22 -4.706 -10.437 -5.085 1.00 0.00 C ATOM 281 CD ARG A 22 -5.159 -11.758 -5.686 1.00 0.00 C ATOM 282 NE ARG A 22 -4.114 -12.776 -5.621 1.00 0.00 N ATOM 283 CZ ARG A 22 -4.306 -14.049 -5.949 1.00 0.00 C ATOM 284 NH1 ARG A 22 -5.497 -14.457 -6.364 1.00 0.00 N ATOM 285 NH2 ARG A 22 -3.305 -14.916 -5.863 1.00 0.00 N ATOM 0 H ARG A 22 -6.424 -8.931 -3.701 1.00 0.00 H new ATOM 0 HA ARG A 22 -4.443 -9.329 -1.798 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -3.643 -11.082 -3.343 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -5.386 -11.114 -3.172 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -5.428 -9.658 -5.331 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -3.755 -10.142 -5.528 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -6.044 -12.112 -5.157 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -5.450 -11.603 -6.725 1.00 0.00 H new ATOM 0 HE ARG A 22 -3.186 -12.494 -5.306 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -6.268 -13.793 -6.432 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -5.642 -15.435 -6.615 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.387 -14.605 -5.545 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -3.454 -15.893 -6.115 1.00 0.00 H new ATOM 299 N GLN A 23 -3.381 -7.780 -4.506 1.00 0.00 N ATOM 300 CA GLN A 23 -2.276 -7.003 -5.055 1.00 0.00 C ATOM 301 C GLN A 23 -1.947 -5.814 -4.158 1.00 0.00 C ATOM 302 O GLN A 23 -0.779 -5.523 -3.900 1.00 0.00 O ATOM 303 CB GLN A 23 -2.618 -6.515 -6.464 1.00 0.00 C ATOM 304 CG GLN A 23 -2.882 -7.641 -7.450 1.00 0.00 C ATOM 305 CD GLN A 23 -2.528 -7.264 -8.875 1.00 0.00 C ATOM 306 OE1 GLN A 23 -1.435 -6.764 -9.144 1.00 0.00 O ATOM 307 NE2 GLN A 23 -3.452 -7.503 -9.798 1.00 0.00 N ATOM 0 H GLN A 23 -4.213 -7.805 -5.095 1.00 0.00 H new ATOM 0 HA GLN A 23 -1.400 -7.650 -5.105 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -3.498 -5.873 -6.414 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -1.797 -5.902 -6.836 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -2.306 -8.518 -7.157 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -3.934 -7.921 -7.403 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -4.344 -7.919 -9.531 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -3.270 -7.271 -10.774 1.00 0.00 H new ATOM 316 N ILE A 24 -2.985 -5.130 -3.688 1.00 0.00 N ATOM 317 CA ILE A 24 -2.806 -3.973 -2.819 1.00 0.00 C ATOM 318 C ILE A 24 -2.247 -4.386 -1.462 1.00 0.00 C ATOM 319 O ILE A 24 -1.338 -3.747 -0.931 1.00 0.00 O ATOM 320 CB ILE A 24 -4.131 -3.217 -2.608 1.00 0.00 C ATOM 321 CG1 ILE A 24 -4.696 -2.749 -3.951 1.00 0.00 C ATOM 322 CG2 ILE A 24 -3.924 -2.035 -1.674 1.00 0.00 C ATOM 323 CD1 ILE A 24 -6.204 -2.631 -3.964 1.00 0.00 C ATOM 0 H ILE A 24 -3.958 -5.357 -3.894 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.096 -3.312 -3.316 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.850 -3.896 -2.149 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -4.262 -1.781 -4.201 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.388 -3.447 -4.729 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.870 -1.511 -1.535 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.562 -2.392 -0.710 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.192 -1.353 -2.107 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -6.534 -2.295 -4.947 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -6.647 -3.603 -3.745 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -6.519 -1.910 -3.209 1.00 0.00 H new ATOM 335 N LYS A 25 -2.796 -5.460 -0.904 1.00 0.00 N ATOM 336 CA LYS A 25 -2.352 -5.961 0.391 1.00 0.00 C ATOM 337 C LYS A 25 -0.919 -6.478 0.311 1.00 0.00 C ATOM 338 O LYS A 25 -0.128 -6.291 1.236 1.00 0.00 O ATOM 339 CB LYS A 25 -3.281 -7.077 0.875 1.00 0.00 C ATOM 340 CG LYS A 25 -4.465 -6.574 1.683 1.00 0.00 C ATOM 341 CD LYS A 25 -5.611 -7.572 1.671 1.00 0.00 C ATOM 342 CE LYS A 25 -6.893 -6.954 2.207 1.00 0.00 C ATOM 343 NZ LYS A 25 -6.880 -6.848 3.693 1.00 0.00 N ATOM 0 H LYS A 25 -3.550 -6.000 -1.329 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.384 -5.136 1.102 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.650 -7.631 0.012 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.708 -7.777 1.483 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -4.153 -6.389 2.711 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -4.806 -5.622 1.277 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -5.775 -7.928 0.654 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -5.345 -8.441 2.273 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -7.027 -5.963 1.774 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -7.745 -7.557 1.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -7.856 -6.768 4.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -6.435 -7.696 4.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -6.340 -6.005 3.976 1.00 0.00 H new ATOM 357 N LYS A 26 -0.589 -7.127 -0.800 1.00 0.00 N ATOM 358 CA LYS A 26 0.749 -7.669 -1.002 1.00 0.00 C ATOM 359 C LYS A 26 1.762 -6.549 -1.222 1.00 0.00 C ATOM 360 O LYS A 26 2.825 -6.531 -0.603 1.00 0.00 O ATOM 361 CB LYS A 26 0.760 -8.623 -2.199 1.00 0.00 C ATOM 362 CG LYS A 26 0.352 -10.043 -1.848 1.00 0.00 C ATOM 363 CD LYS A 26 -0.185 -10.785 -3.060 1.00 0.00 C ATOM 364 CE LYS A 26 -0.797 -12.121 -2.670 1.00 0.00 C ATOM 365 NZ LYS A 26 0.239 -13.105 -2.249 1.00 0.00 N ATOM 0 H LYS A 26 -1.231 -7.291 -1.576 1.00 0.00 H new ATOM 0 HA LYS A 26 1.031 -8.219 -0.104 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.086 -8.239 -2.965 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.760 -8.638 -2.632 1.00 0.00 H new ATOM 0 HG2 LYS A 26 1.210 -10.579 -1.443 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.408 -10.022 -1.067 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -0.935 -10.172 -3.560 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.622 -10.948 -3.775 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -1.507 -11.971 -1.857 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -1.358 -12.523 -3.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -0.219 -14.002 -1.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 0.902 -13.268 -3.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 0.758 -12.733 -1.428 1.00 0.00 H new ATOM 379 N ALA A 27 1.423 -5.616 -2.106 1.00 0.00 N ATOM 380 CA ALA A 27 2.300 -4.492 -2.405 1.00 0.00 C ATOM 381 C ALA A 27 2.574 -3.662 -1.155 1.00 0.00 C ATOM 382 O ALA A 27 3.704 -3.236 -0.915 1.00 0.00 O ATOM 383 CB ALA A 27 1.692 -3.622 -3.494 1.00 0.00 C ATOM 0 H ALA A 27 0.546 -5.617 -2.628 1.00 0.00 H new ATOM 0 HA ALA A 27 3.250 -4.890 -2.762 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.359 -2.786 -3.707 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.553 -4.215 -4.398 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.727 -3.241 -3.159 1.00 0.00 H new ATOM 389 N PHE A 28 1.533 -3.436 -0.360 1.00 0.00 N ATOM 390 CA PHE A 28 1.662 -2.656 0.865 1.00 0.00 C ATOM 391 C PHE A 28 2.439 -3.432 1.925 1.00 0.00 C ATOM 392 O PHE A 28 3.431 -2.943 2.465 1.00 0.00 O ATOM 393 CB PHE A 28 0.279 -2.281 1.403 1.00 0.00 C ATOM 394 CG PHE A 28 0.326 -1.533 2.705 1.00 0.00 C ATOM 395 CD1 PHE A 28 1.355 -0.646 2.973 1.00 0.00 C ATOM 396 CD2 PHE A 28 -0.660 -1.718 3.661 1.00 0.00 C ATOM 397 CE1 PHE A 28 1.401 0.044 4.170 1.00 0.00 C ATOM 398 CE2 PHE A 28 -0.621 -1.031 4.859 1.00 0.00 C ATOM 399 CZ PHE A 28 0.412 -0.150 5.115 1.00 0.00 C ATOM 0 H PHE A 28 0.591 -3.782 -0.542 1.00 0.00 H new ATOM 0 HA PHE A 28 2.213 -1.745 0.630 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -0.238 -1.672 0.661 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -0.309 -3.189 1.536 1.00 0.00 H new ATOM 0 HD1 PHE A 28 2.131 -0.491 2.238 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.468 -2.407 3.467 1.00 0.00 H new ATOM 0 HE1 PHE A 28 2.209 0.734 4.366 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -1.397 -1.182 5.595 1.00 0.00 H new ATOM 0 HZ PHE A 28 0.446 0.386 6.052 1.00 0.00 H new ATOM 409 N HIS A 29 1.979 -4.644 2.218 1.00 0.00 N ATOM 410 CA HIS A 29 2.630 -5.489 3.213 1.00 0.00 C ATOM 411 C HIS A 29 4.147 -5.440 3.059 1.00 0.00 C ATOM 412 O HIS A 29 4.851 -4.897 3.910 1.00 0.00 O ATOM 413 CB HIS A 29 2.140 -6.932 3.088 1.00 0.00 C ATOM 414 CG HIS A 29 0.935 -7.230 3.926 1.00 0.00 C ATOM 415 ND1 HIS A 29 0.696 -8.466 4.489 1.00 0.00 N ATOM 416 CD2 HIS A 29 -0.102 -6.443 4.298 1.00 0.00 C ATOM 417 CE1 HIS A 29 -0.435 -8.427 5.169 1.00 0.00 C ATOM 418 NE2 HIS A 29 -0.940 -7.210 5.069 1.00 0.00 N ATOM 0 H HIS A 29 1.158 -5.063 1.781 1.00 0.00 H new ATOM 0 HA HIS A 29 2.370 -5.109 4.201 1.00 0.00 H new ATOM 0 HB2 HIS A 29 1.906 -7.138 2.044 1.00 0.00 H new ATOM 0 HB3 HIS A 29 2.947 -7.607 3.373 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -0.244 -5.405 4.037 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -0.873 -9.250 5.714 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -1.811 -6.892 5.495 1.00 0.00 H new ATOM 426 N LYS A 30 4.645 -6.011 1.967 1.00 0.00 N ATOM 427 CA LYS A 30 6.078 -6.032 1.700 1.00 0.00 C ATOM 428 C LYS A 30 6.709 -4.678 2.005 1.00 0.00 C ATOM 429 O LYS A 30 7.703 -4.593 2.727 1.00 0.00 O ATOM 430 CB LYS A 30 6.340 -6.411 0.240 1.00 0.00 C ATOM 431 CG LYS A 30 6.007 -5.304 -0.745 1.00 0.00 C ATOM 432 CD LYS A 30 6.186 -5.764 -2.182 1.00 0.00 C ATOM 433 CE LYS A 30 5.445 -7.065 -2.447 1.00 0.00 C ATOM 434 NZ LYS A 30 6.288 -8.255 -2.145 1.00 0.00 N ATOM 0 H LYS A 30 4.077 -6.466 1.252 1.00 0.00 H new ATOM 0 HA LYS A 30 6.532 -6.779 2.351 1.00 0.00 H new ATOM 0 HB2 LYS A 30 7.389 -6.683 0.127 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.753 -7.295 -0.008 1.00 0.00 H new ATOM 0 HG2 LYS A 30 4.979 -4.977 -0.592 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.647 -4.442 -0.555 1.00 0.00 H new ATOM 0 HD2 LYS A 30 5.822 -4.992 -2.860 1.00 0.00 H new ATOM 0 HD3 LYS A 30 7.247 -5.899 -2.392 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.540 -7.098 -1.840 1.00 0.00 H new ATOM 0 HE3 LYS A 30 5.131 -7.098 -3.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 6.374 -8.845 -2.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 7.233 -7.943 -1.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 5.846 -8.809 -1.384 1.00 0.00 H new ATOM 448 N LEU A 31 6.124 -3.620 1.453 1.00 0.00 N ATOM 449 CA LEU A 31 6.628 -2.268 1.668 1.00 0.00 C ATOM 450 C LEU A 31 6.739 -1.958 3.158 1.00 0.00 C ATOM 451 O LEU A 31 7.834 -1.748 3.678 1.00 0.00 O ATOM 452 CB LEU A 31 5.713 -1.247 0.990 1.00 0.00 C ATOM 453 CG LEU A 31 5.797 -1.179 -0.535 1.00 0.00 C ATOM 454 CD1 LEU A 31 4.593 -0.444 -1.104 1.00 0.00 C ATOM 455 CD2 LEU A 31 7.090 -0.504 -0.968 1.00 0.00 C ATOM 0 H LEU A 31 5.300 -3.673 0.853 1.00 0.00 H new ATOM 0 HA LEU A 31 7.623 -2.204 1.227 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.683 -1.471 1.267 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.943 -0.260 1.391 1.00 0.00 H new ATOM 0 HG LEU A 31 5.793 -2.197 -0.926 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.670 -0.406 -2.191 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.680 -0.969 -0.824 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.565 0.570 -0.706 1.00 0.00 H new ATOM 0 HD21 LEU A 31 7.133 -0.464 -2.056 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.124 0.509 -0.566 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.941 -1.072 -0.592 1.00 0.00 H new ATOM 467 N ALA A 32 5.597 -1.934 3.838 1.00 0.00 N ATOM 468 CA ALA A 32 5.567 -1.655 5.268 1.00 0.00 C ATOM 469 C ALA A 32 6.776 -2.260 5.972 1.00 0.00 C ATOM 470 O ALA A 32 7.293 -1.694 6.935 1.00 0.00 O ATOM 471 CB ALA A 32 4.278 -2.183 5.881 1.00 0.00 C ATOM 0 H ALA A 32 4.682 -2.104 3.422 1.00 0.00 H new ATOM 0 HA ALA A 32 5.605 -0.574 5.403 1.00 0.00 H new ATOM 0 HB1 ALA A 32 4.269 -1.968 6.950 1.00 0.00 H new ATOM 0 HB2 ALA A 32 3.424 -1.699 5.406 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.217 -3.260 5.727 1.00 0.00 H new ATOM 477 N MET A 33 7.222 -3.414 5.486 1.00 0.00 N ATOM 478 CA MET A 33 8.372 -4.096 6.069 1.00 0.00 C ATOM 479 C MET A 33 9.662 -3.341 5.766 1.00 0.00 C ATOM 480 O MET A 33 10.488 -3.121 6.652 1.00 0.00 O ATOM 481 CB MET A 33 8.467 -5.527 5.537 1.00 0.00 C ATOM 482 CG MET A 33 7.171 -6.311 5.667 1.00 0.00 C ATOM 483 SD MET A 33 6.803 -6.766 7.372 1.00 0.00 S ATOM 484 CE MET A 33 5.037 -7.046 7.273 1.00 0.00 C ATOM 0 H MET A 33 6.805 -3.896 4.690 1.00 0.00 H new ATOM 0 HA MET A 33 8.235 -4.127 7.150 1.00 0.00 H new ATOM 0 HB2 MET A 33 8.760 -5.497 4.488 1.00 0.00 H new ATOM 0 HB3 MET A 33 9.256 -6.054 6.074 1.00 0.00 H new ATOM 0 HG2 MET A 33 6.349 -5.716 5.268 1.00 0.00 H new ATOM 0 HG3 MET A 33 7.235 -7.214 5.060 1.00 0.00 H new ATOM 0 HE1 MET A 33 4.659 -7.336 8.253 1.00 0.00 H new ATOM 0 HE2 MET A 33 4.541 -6.131 6.949 1.00 0.00 H new ATOM 0 HE3 MET A 33 4.834 -7.842 6.556 1.00 0.00 H new ATOM 494 N LYS A 34 9.830 -2.946 4.508 1.00 0.00 N ATOM 495 CA LYS A 34 11.020 -2.215 4.088 1.00 0.00 C ATOM 496 C LYS A 34 11.101 -0.861 4.785 1.00 0.00 C ATOM 497 O LYS A 34 12.190 -0.336 5.016 1.00 0.00 O ATOM 498 CB LYS A 34 11.012 -2.019 2.570 1.00 0.00 C ATOM 499 CG LYS A 34 12.325 -1.488 2.019 1.00 0.00 C ATOM 500 CD LYS A 34 12.293 -1.387 0.503 1.00 0.00 C ATOM 501 CE LYS A 34 13.190 -0.267 0.000 1.00 0.00 C ATOM 502 NZ LYS A 34 13.717 -0.548 -1.364 1.00 0.00 N ATOM 0 H LYS A 34 9.157 -3.120 3.762 1.00 0.00 H new ATOM 0 HA LYS A 34 11.895 -2.801 4.369 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.785 -2.971 2.090 1.00 0.00 H new ATOM 0 HB3 LYS A 34 10.211 -1.329 2.305 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.529 -0.506 2.446 1.00 0.00 H new ATOM 0 HG3 LYS A 34 13.140 -2.144 2.324 1.00 0.00 H new ATOM 0 HD2 LYS A 34 12.612 -2.334 0.067 1.00 0.00 H new ATOM 0 HD3 LYS A 34 11.270 -1.212 0.170 1.00 0.00 H new ATOM 0 HE2 LYS A 34 12.630 0.668 -0.013 1.00 0.00 H new ATOM 0 HE3 LYS A 34 14.023 -0.131 0.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 14.324 0.239 -1.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 14.272 -1.427 -1.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 12.923 -0.652 -2.028 1.00 0.00 H new ATOM 516 N TYR A 35 9.943 -0.303 5.120 1.00 0.00 N ATOM 517 CA TYR A 35 9.884 0.990 5.791 1.00 0.00 C ATOM 518 C TYR A 35 9.199 0.869 7.148 1.00 0.00 C ATOM 519 O TYR A 35 8.651 1.841 7.670 1.00 0.00 O ATOM 520 CB TYR A 35 9.142 2.006 4.921 1.00 0.00 C ATOM 521 CG TYR A 35 9.818 2.277 3.596 1.00 0.00 C ATOM 522 CD1 TYR A 35 10.782 3.271 3.476 1.00 0.00 C ATOM 523 CD2 TYR A 35 9.492 1.541 2.464 1.00 0.00 C ATOM 524 CE1 TYR A 35 11.402 3.523 2.267 1.00 0.00 C ATOM 525 CE2 TYR A 35 10.108 1.785 1.252 1.00 0.00 C ATOM 526 CZ TYR A 35 11.062 2.776 1.158 1.00 0.00 C ATOM 527 OH TYR A 35 11.677 3.023 -0.048 1.00 0.00 O ATOM 0 H TYR A 35 9.033 -0.726 4.938 1.00 0.00 H new ATOM 0 HA TYR A 35 10.906 1.335 5.950 1.00 0.00 H new ATOM 0 HB2 TYR A 35 8.131 1.643 4.736 1.00 0.00 H new ATOM 0 HB3 TYR A 35 9.049 2.943 5.470 1.00 0.00 H new ATOM 0 HD1 TYR A 35 11.051 3.857 4.343 1.00 0.00 H new ATOM 0 HD2 TYR A 35 8.744 0.765 2.533 1.00 0.00 H new ATOM 0 HE1 TYR A 35 12.148 4.300 2.191 1.00 0.00 H new ATOM 0 HE2 TYR A 35 9.844 1.202 0.382 1.00 0.00 H new ATOM 0 HH TYR A 35 11.325 2.410 -0.726 1.00 0.00 H new ATOM 537 N HIS A 36 9.233 -0.332 7.716 1.00 0.00 N ATOM 538 CA HIS A 36 8.617 -0.582 9.014 1.00 0.00 C ATOM 539 C HIS A 36 9.326 0.203 10.113 1.00 0.00 C ATOM 540 O HIS A 36 10.527 0.055 10.339 1.00 0.00 O ATOM 541 CB HIS A 36 8.647 -2.076 9.338 1.00 0.00 C ATOM 542 CG HIS A 36 7.503 -2.528 10.192 1.00 0.00 C ATOM 543 ND1 HIS A 36 7.095 -1.851 11.323 1.00 0.00 N ATOM 544 CD2 HIS A 36 6.678 -3.594 10.075 1.00 0.00 C ATOM 545 CE1 HIS A 36 6.070 -2.483 11.865 1.00 0.00 C ATOM 546 NE2 HIS A 36 5.796 -3.544 11.127 1.00 0.00 N ATOM 0 H HIS A 36 9.681 -1.147 7.298 1.00 0.00 H new ATOM 0 HA HIS A 36 7.580 -0.249 8.966 1.00 0.00 H new ATOM 0 HB2 HIS A 36 8.639 -2.641 8.406 1.00 0.00 H new ATOM 0 HB3 HIS A 36 9.583 -2.310 9.845 1.00 0.00 H new ATOM 0 HD2 HIS A 36 6.707 -4.345 9.299 1.00 0.00 H new ATOM 0 HE1 HIS A 36 5.545 -2.183 12.760 1.00 0.00 H new ATOM 0 HE2 HIS A 36 5.051 -4.216 11.309 1.00 0.00 H new ATOM 554 N PRO A 37 8.568 1.060 10.813 1.00 0.00 N ATOM 555 CA PRO A 37 9.103 1.885 11.900 1.00 0.00 C ATOM 556 C PRO A 37 9.475 1.059 13.127 1.00 0.00 C ATOM 557 O PRO A 37 9.901 1.602 14.146 1.00 0.00 O ATOM 558 CB PRO A 37 7.948 2.836 12.225 1.00 0.00 C ATOM 559 CG PRO A 37 6.723 2.106 11.793 1.00 0.00 C ATOM 560 CD PRO A 37 7.129 1.288 10.598 1.00 0.00 C ATOM 0 HA PRO A 37 10.023 2.393 11.611 1.00 0.00 H new ATOM 0 HB2 PRO A 37 7.915 3.070 13.289 1.00 0.00 H new ATOM 0 HB3 PRO A 37 8.053 3.782 11.694 1.00 0.00 H new ATOM 0 HG2 PRO A 37 6.346 1.468 12.593 1.00 0.00 H new ATOM 0 HG3 PRO A 37 5.924 2.802 11.537 1.00 0.00 H new ATOM 0 HD2 PRO A 37 6.577 0.350 10.547 1.00 0.00 H new ATOM 0 HD3 PRO A 37 6.941 1.819 9.665 1.00 0.00 H new ATOM 568 N ASP A 38 9.311 -0.255 13.021 1.00 0.00 N ATOM 569 CA ASP A 38 9.631 -1.156 14.122 1.00 0.00 C ATOM 570 C ASP A 38 10.877 -1.978 13.806 1.00 0.00 C ATOM 571 O ASP A 38 11.631 -2.352 14.705 1.00 0.00 O ATOM 572 CB ASP A 38 8.450 -2.085 14.408 1.00 0.00 C ATOM 573 CG ASP A 38 7.294 -1.364 15.072 1.00 0.00 C ATOM 574 OD1 ASP A 38 7.213 -0.125 14.940 1.00 0.00 O ATOM 575 OD2 ASP A 38 6.469 -2.039 15.724 1.00 0.00 O ATOM 0 H ASP A 38 8.959 -0.720 12.184 1.00 0.00 H new ATOM 0 HA ASP A 38 9.831 -0.553 15.007 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.108 -2.531 13.474 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.781 -2.902 15.049 1.00 0.00 H new ATOM 580 N LYS A 39 11.086 -2.257 12.524 1.00 0.00 N ATOM 581 CA LYS A 39 12.240 -3.035 12.088 1.00 0.00 C ATOM 582 C LYS A 39 13.342 -2.123 11.559 1.00 0.00 C ATOM 583 O LYS A 39 14.525 -2.362 11.796 1.00 0.00 O ATOM 584 CB LYS A 39 11.827 -4.035 11.006 1.00 0.00 C ATOM 585 CG LYS A 39 10.758 -5.014 11.458 1.00 0.00 C ATOM 586 CD LYS A 39 11.365 -6.220 12.156 1.00 0.00 C ATOM 587 CE LYS A 39 10.314 -7.278 12.456 1.00 0.00 C ATOM 588 NZ LYS A 39 9.929 -8.038 11.235 1.00 0.00 N ATOM 0 H LYS A 39 10.471 -1.956 11.768 1.00 0.00 H new ATOM 0 HA LYS A 39 12.626 -3.580 12.949 1.00 0.00 H new ATOM 0 HB2 LYS A 39 11.462 -3.487 10.137 1.00 0.00 H new ATOM 0 HB3 LYS A 39 12.706 -4.593 10.684 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.066 -4.512 12.134 1.00 0.00 H new ATOM 0 HG3 LYS A 39 10.179 -5.345 10.596 1.00 0.00 H new ATOM 0 HD2 LYS A 39 12.146 -6.649 11.529 1.00 0.00 H new ATOM 0 HD3 LYS A 39 11.840 -5.903 13.085 1.00 0.00 H new ATOM 0 HE2 LYS A 39 10.697 -7.968 13.208 1.00 0.00 H new ATOM 0 HE3 LYS A 39 9.430 -6.802 12.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 9.275 -8.804 11.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 9.462 -7.398 10.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 10.780 -8.443 10.796 1.00 0.00 H new ATOM 602 N ASN A 40 12.945 -1.076 10.843 1.00 0.00 N ATOM 603 CA ASN A 40 13.900 -0.128 10.281 1.00 0.00 C ATOM 604 C ASN A 40 14.504 0.748 11.374 1.00 0.00 C ATOM 605 O ASN A 40 15.688 1.085 11.333 1.00 0.00 O ATOM 606 CB ASN A 40 13.220 0.749 9.228 1.00 0.00 C ATOM 607 CG ASN A 40 14.210 1.348 8.247 1.00 0.00 C ATOM 608 OD1 ASN A 40 15.385 1.530 8.567 1.00 0.00 O ATOM 609 ND2 ASN A 40 13.738 1.657 7.045 1.00 0.00 N ATOM 0 H ASN A 40 11.969 -0.863 10.638 1.00 0.00 H new ATOM 0 HA ASN A 40 14.702 -0.695 9.809 1.00 0.00 H new ATOM 0 HB2 ASN A 40 12.487 0.155 8.683 1.00 0.00 H new ATOM 0 HB3 ASN A 40 12.674 1.551 9.725 1.00 0.00 H new ATOM 0 HD21 ASN A 40 14.357 2.063 6.343 1.00 0.00 H new ATOM 0 HD22 ASN A 40 12.757 1.489 6.824 1.00 0.00 H new ATOM 616 N LYS A 41 13.684 1.113 12.354 1.00 0.00 N ATOM 617 CA LYS A 41 14.136 1.948 13.460 1.00 0.00 C ATOM 618 C LYS A 41 14.910 3.158 12.948 1.00 0.00 C ATOM 619 O LYS A 41 15.942 3.529 13.507 1.00 0.00 O ATOM 620 CB LYS A 41 15.014 1.134 14.414 1.00 0.00 C ATOM 621 CG LYS A 41 14.313 -0.080 14.998 1.00 0.00 C ATOM 622 CD LYS A 41 15.162 -0.754 16.064 1.00 0.00 C ATOM 623 CE LYS A 41 14.439 -1.939 16.685 1.00 0.00 C ATOM 624 NZ LYS A 41 14.304 -3.071 15.727 1.00 0.00 N ATOM 0 H LYS A 41 12.702 0.843 12.404 1.00 0.00 H new ATOM 0 HA LYS A 41 13.257 2.303 13.998 1.00 0.00 H new ATOM 0 HB2 LYS A 41 15.907 0.807 13.882 1.00 0.00 H new ATOM 0 HB3 LYS A 41 15.346 1.778 15.228 1.00 0.00 H new ATOM 0 HG2 LYS A 41 13.358 0.222 15.429 1.00 0.00 H new ATOM 0 HG3 LYS A 41 14.093 -0.792 14.203 1.00 0.00 H new ATOM 0 HD2 LYS A 41 16.101 -1.089 15.624 1.00 0.00 H new ATOM 0 HD3 LYS A 41 15.413 -0.032 16.841 1.00 0.00 H new ATOM 0 HE2 LYS A 41 14.983 -2.274 17.568 1.00 0.00 H new ATOM 0 HE3 LYS A 41 13.450 -1.626 17.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 14.365 -3.972 16.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 13.384 -3.010 15.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 15.068 -3.023 15.023 1.00 0.00 H new ATOM 638 N SER A 42 14.404 3.771 11.882 1.00 0.00 N ATOM 639 CA SER A 42 15.049 4.938 11.293 1.00 0.00 C ATOM 640 C SER A 42 14.094 6.127 11.259 1.00 0.00 C ATOM 641 O SER A 42 12.873 5.975 11.222 1.00 0.00 O ATOM 642 CB SER A 42 15.535 4.619 9.878 1.00 0.00 C ATOM 643 OG SER A 42 16.820 4.021 9.903 1.00 0.00 O ATOM 0 H SER A 42 13.549 3.478 11.409 1.00 0.00 H new ATOM 0 HA SER A 42 15.906 5.200 11.913 1.00 0.00 H new ATOM 0 HB2 SER A 42 14.828 3.949 9.390 1.00 0.00 H new ATOM 0 HB3 SER A 42 15.568 5.534 9.286 1.00 0.00 H new ATOM 0 HG SER A 42 16.772 3.126 9.506 1.00 0.00 H new ATOM 649 N PRO A 43 14.663 7.342 11.272 1.00 0.00 N ATOM 650 CA PRO A 43 13.881 8.582 11.243 1.00 0.00 C ATOM 651 C PRO A 43 13.201 8.807 9.897 1.00 0.00 C ATOM 652 O PRO A 43 12.082 9.315 9.833 1.00 0.00 O ATOM 653 CB PRO A 43 14.929 9.668 11.500 1.00 0.00 C ATOM 654 CG PRO A 43 16.214 9.073 11.035 1.00 0.00 C ATOM 655 CD PRO A 43 16.112 7.599 11.316 1.00 0.00 C ATOM 0 HA PRO A 43 13.071 8.570 11.972 1.00 0.00 H new ATOM 0 HB2 PRO A 43 14.695 10.581 10.953 1.00 0.00 H new ATOM 0 HB3 PRO A 43 14.974 9.932 12.557 1.00 0.00 H new ATOM 0 HG2 PRO A 43 16.368 9.258 9.972 1.00 0.00 H new ATOM 0 HG3 PRO A 43 17.061 9.513 11.561 1.00 0.00 H new ATOM 0 HD2 PRO A 43 16.647 7.010 10.571 1.00 0.00 H new ATOM 0 HD3 PRO A 43 16.536 7.345 12.288 1.00 0.00 H new ATOM 663 N ASP A 44 13.884 8.425 8.823 1.00 0.00 N ATOM 664 CA ASP A 44 13.344 8.583 7.477 1.00 0.00 C ATOM 665 C ASP A 44 12.246 7.559 7.208 1.00 0.00 C ATOM 666 O ASP A 44 11.265 7.852 6.526 1.00 0.00 O ATOM 667 CB ASP A 44 14.458 8.441 6.438 1.00 0.00 C ATOM 668 CG ASP A 44 15.495 7.410 6.839 1.00 0.00 C ATOM 669 OD1 ASP A 44 15.127 6.227 6.992 1.00 0.00 O ATOM 670 OD2 ASP A 44 16.675 7.787 7.000 1.00 0.00 O ATOM 0 H ASP A 44 14.812 8.004 8.858 1.00 0.00 H new ATOM 0 HA ASP A 44 12.911 9.580 7.400 1.00 0.00 H new ATOM 0 HB2 ASP A 44 14.023 8.160 5.479 1.00 0.00 H new ATOM 0 HB3 ASP A 44 14.945 9.406 6.297 1.00 0.00 H new ATOM 675 N ALA A 45 12.420 6.357 7.748 1.00 0.00 N ATOM 676 CA ALA A 45 11.443 5.290 7.567 1.00 0.00 C ATOM 677 C ALA A 45 10.072 5.706 8.088 1.00 0.00 C ATOM 678 O ALA A 45 9.063 5.546 7.403 1.00 0.00 O ATOM 679 CB ALA A 45 11.913 4.022 8.264 1.00 0.00 C ATOM 0 H ALA A 45 13.228 6.098 8.314 1.00 0.00 H new ATOM 0 HA ALA A 45 11.351 5.092 6.499 1.00 0.00 H new ATOM 0 HB1 ALA A 45 11.174 3.233 8.121 1.00 0.00 H new ATOM 0 HB2 ALA A 45 12.867 3.707 7.841 1.00 0.00 H new ATOM 0 HB3 ALA A 45 12.035 4.216 9.330 1.00 0.00 H new ATOM 685 N GLU A 46 10.044 6.240 9.305 1.00 0.00 N ATOM 686 CA GLU A 46 8.795 6.678 9.918 1.00 0.00 C ATOM 687 C GLU A 46 7.946 7.464 8.923 1.00 0.00 C ATOM 688 O GLU A 46 6.747 7.225 8.789 1.00 0.00 O ATOM 689 CB GLU A 46 9.080 7.537 11.152 1.00 0.00 C ATOM 690 CG GLU A 46 7.882 7.695 12.073 1.00 0.00 C ATOM 691 CD GLU A 46 8.270 8.175 13.458 1.00 0.00 C ATOM 692 OE1 GLU A 46 8.903 9.246 13.559 1.00 0.00 O ATOM 693 OE2 GLU A 46 7.939 7.479 14.441 1.00 0.00 O ATOM 0 H GLU A 46 10.871 6.380 9.886 1.00 0.00 H new ATOM 0 HA GLU A 46 8.239 5.791 10.222 1.00 0.00 H new ATOM 0 HB2 GLU A 46 9.902 7.092 11.712 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.412 8.524 10.829 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.180 8.402 11.631 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.364 6.740 12.156 1.00 0.00 H new ATOM 700 N ALA A 47 8.579 8.403 8.226 1.00 0.00 N ATOM 701 CA ALA A 47 7.884 9.223 7.242 1.00 0.00 C ATOM 702 C ALA A 47 7.386 8.377 6.076 1.00 0.00 C ATOM 703 O ALA A 47 6.223 8.467 5.681 1.00 0.00 O ATOM 704 CB ALA A 47 8.797 10.332 6.740 1.00 0.00 C ATOM 0 H ALA A 47 9.572 8.614 8.325 1.00 0.00 H new ATOM 0 HA ALA A 47 7.017 9.672 7.727 1.00 0.00 H new ATOM 0 HB1 ALA A 47 8.265 10.937 6.006 1.00 0.00 H new ATOM 0 HB2 ALA A 47 9.100 10.961 7.577 1.00 0.00 H new ATOM 0 HB3 ALA A 47 9.681 9.894 6.277 1.00 0.00 H new ATOM 710 N LYS A 48 8.273 7.554 5.527 1.00 0.00 N ATOM 711 CA LYS A 48 7.924 6.690 4.405 1.00 0.00 C ATOM 712 C LYS A 48 6.621 5.945 4.677 1.00 0.00 C ATOM 713 O LYS A 48 5.634 6.120 3.962 1.00 0.00 O ATOM 714 CB LYS A 48 9.050 5.689 4.136 1.00 0.00 C ATOM 715 CG LYS A 48 10.215 6.278 3.361 1.00 0.00 C ATOM 716 CD LYS A 48 10.018 6.133 1.861 1.00 0.00 C ATOM 717 CE LYS A 48 8.889 7.020 1.360 1.00 0.00 C ATOM 718 NZ LYS A 48 7.567 6.339 1.449 1.00 0.00 N ATOM 0 H LYS A 48 9.240 7.467 5.841 1.00 0.00 H new ATOM 0 HA LYS A 48 7.786 7.318 3.524 1.00 0.00 H new ATOM 0 HB2 LYS A 48 9.416 5.302 5.087 1.00 0.00 H new ATOM 0 HB3 LYS A 48 8.647 4.842 3.581 1.00 0.00 H new ATOM 0 HG2 LYS A 48 10.325 7.332 3.614 1.00 0.00 H new ATOM 0 HG3 LYS A 48 11.139 5.781 3.657 1.00 0.00 H new ATOM 0 HD2 LYS A 48 10.942 6.392 1.345 1.00 0.00 H new ATOM 0 HD3 LYS A 48 9.799 5.093 1.620 1.00 0.00 H new ATOM 0 HE2 LYS A 48 8.864 7.940 1.944 1.00 0.00 H new ATOM 0 HE3 LYS A 48 9.082 7.304 0.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 7.186 6.194 0.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 7.682 5.418 1.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 6.909 6.928 1.998 1.00 0.00 H new ATOM 732 N PHE A 49 6.624 5.115 5.714 1.00 0.00 N ATOM 733 CA PHE A 49 5.442 4.344 6.080 1.00 0.00 C ATOM 734 C PHE A 49 4.224 5.252 6.225 1.00 0.00 C ATOM 735 O PHE A 49 3.106 4.867 5.883 1.00 0.00 O ATOM 736 CB PHE A 49 5.686 3.586 7.387 1.00 0.00 C ATOM 737 CG PHE A 49 4.552 2.680 7.775 1.00 0.00 C ATOM 738 CD1 PHE A 49 3.465 3.173 8.480 1.00 0.00 C ATOM 739 CD2 PHE A 49 4.573 1.337 7.436 1.00 0.00 C ATOM 740 CE1 PHE A 49 2.420 2.342 8.838 1.00 0.00 C ATOM 741 CE2 PHE A 49 3.531 0.502 7.792 1.00 0.00 C ATOM 742 CZ PHE A 49 2.454 1.005 8.495 1.00 0.00 C ATOM 0 H PHE A 49 7.432 4.959 6.316 1.00 0.00 H new ATOM 0 HA PHE A 49 5.246 3.627 5.283 1.00 0.00 H new ATOM 0 HB2 PHE A 49 6.596 2.994 7.290 1.00 0.00 H new ATOM 0 HB3 PHE A 49 5.857 4.305 8.188 1.00 0.00 H new ATOM 0 HD1 PHE A 49 3.434 4.218 8.752 1.00 0.00 H new ATOM 0 HD2 PHE A 49 5.413 0.938 6.887 1.00 0.00 H new ATOM 0 HE1 PHE A 49 1.578 2.738 9.386 1.00 0.00 H new ATOM 0 HE2 PHE A 49 3.559 -0.543 7.521 1.00 0.00 H new ATOM 0 HZ PHE A 49 1.640 0.354 8.776 1.00 0.00 H new ATOM 752 N ARG A 50 4.450 6.458 6.736 1.00 0.00 N ATOM 753 CA ARG A 50 3.372 7.420 6.929 1.00 0.00 C ATOM 754 C ARG A 50 2.647 7.695 5.615 1.00 0.00 C ATOM 755 O ARG A 50 1.500 8.141 5.610 1.00 0.00 O ATOM 756 CB ARG A 50 3.923 8.727 7.502 1.00 0.00 C ATOM 757 CG ARG A 50 2.890 9.542 8.263 1.00 0.00 C ATOM 758 CD ARG A 50 2.720 9.037 9.687 1.00 0.00 C ATOM 759 NE ARG A 50 1.544 9.611 10.335 1.00 0.00 N ATOM 760 CZ ARG A 50 1.167 9.311 11.573 1.00 0.00 C ATOM 761 NH1 ARG A 50 1.871 8.449 12.294 1.00 0.00 N ATOM 762 NH2 ARG A 50 0.084 9.875 12.093 1.00 0.00 N ATOM 0 H ARG A 50 5.370 6.792 7.024 1.00 0.00 H new ATOM 0 HA ARG A 50 2.660 6.993 7.635 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.756 8.500 8.167 1.00 0.00 H new ATOM 0 HB3 ARG A 50 4.322 9.331 6.687 1.00 0.00 H new ATOM 0 HG2 ARG A 50 3.193 10.589 8.281 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.933 9.496 7.743 1.00 0.00 H new ATOM 0 HD2 ARG A 50 2.635 7.950 9.678 1.00 0.00 H new ATOM 0 HD3 ARG A 50 3.610 9.282 10.267 1.00 0.00 H new ATOM 0 HE ARG A 50 0.981 10.279 9.808 1.00 0.00 H new ATOM 0 HH11 ARG A 50 2.705 8.014 11.898 1.00 0.00 H new ATOM 0 HH12 ARG A 50 1.579 8.221 13.244 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -0.460 10.539 11.542 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -0.205 9.644 13.044 1.00 0.00 H new ATOM 776 N GLU A 51 3.325 7.425 4.503 1.00 0.00 N ATOM 777 CA GLU A 51 2.744 7.644 3.184 1.00 0.00 C ATOM 778 C GLU A 51 2.232 6.335 2.590 1.00 0.00 C ATOM 779 O GLU A 51 1.266 6.324 1.827 1.00 0.00 O ATOM 780 CB GLU A 51 3.778 8.272 2.246 1.00 0.00 C ATOM 781 CG GLU A 51 3.811 9.790 2.305 1.00 0.00 C ATOM 782 CD GLU A 51 2.436 10.410 2.155 1.00 0.00 C ATOM 783 OE1 GLU A 51 1.653 9.919 1.316 1.00 0.00 O ATOM 784 OE2 GLU A 51 2.143 11.386 2.877 1.00 0.00 O ATOM 0 H GLU A 51 4.275 7.055 4.490 1.00 0.00 H new ATOM 0 HA GLU A 51 1.901 8.326 3.295 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.766 7.886 2.497 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.564 7.961 1.223 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.245 10.103 3.254 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.463 10.166 1.517 1.00 0.00 H new ATOM 791 N ILE A 52 2.885 5.235 2.946 1.00 0.00 N ATOM 792 CA ILE A 52 2.496 3.921 2.450 1.00 0.00 C ATOM 793 C ILE A 52 1.200 3.450 3.100 1.00 0.00 C ATOM 794 O ILE A 52 0.310 2.928 2.429 1.00 0.00 O ATOM 795 CB ILE A 52 3.596 2.873 2.705 1.00 0.00 C ATOM 796 CG1 ILE A 52 4.972 3.457 2.379 1.00 0.00 C ATOM 797 CG2 ILE A 52 3.336 1.621 1.881 1.00 0.00 C ATOM 798 CD1 ILE A 52 6.041 2.407 2.176 1.00 0.00 C ATOM 0 H ILE A 52 3.687 5.227 3.577 1.00 0.00 H new ATOM 0 HA ILE A 52 2.345 4.022 1.375 1.00 0.00 H new ATOM 0 HB ILE A 52 3.579 2.599 3.760 1.00 0.00 H new ATOM 0 HG12 ILE A 52 4.895 4.065 1.478 1.00 0.00 H new ATOM 0 HG13 ILE A 52 5.276 4.122 3.187 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.122 0.890 2.072 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.371 1.197 2.158 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.329 1.878 0.822 1.00 0.00 H new ATOM 0 HD11 ILE A 52 6.990 2.893 1.948 1.00 0.00 H new ATOM 0 HD12 ILE A 52 6.146 1.814 3.085 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.759 1.756 1.348 1.00 0.00 H new ATOM 810 N ALA A 53 1.100 3.639 4.412 1.00 0.00 N ATOM 811 CA ALA A 53 -0.089 3.237 5.153 1.00 0.00 C ATOM 812 C ALA A 53 -1.328 3.963 4.640 1.00 0.00 C ATOM 813 O ALA A 53 -2.246 3.341 4.105 1.00 0.00 O ATOM 814 CB ALA A 53 0.101 3.500 6.640 1.00 0.00 C ATOM 0 H ALA A 53 1.828 4.068 4.983 1.00 0.00 H new ATOM 0 HA ALA A 53 -0.237 2.168 5.000 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.795 3.195 7.181 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.956 2.930 7.004 1.00 0.00 H new ATOM 0 HB3 ALA A 53 0.278 4.563 6.802 1.00 0.00 H new ATOM 820 N GLU A 54 -1.347 5.282 4.807 1.00 0.00 N ATOM 821 CA GLU A 54 -2.475 6.091 4.361 1.00 0.00 C ATOM 822 C GLU A 54 -2.908 5.692 2.953 1.00 0.00 C ATOM 823 O GLU A 54 -4.098 5.684 2.637 1.00 0.00 O ATOM 824 CB GLU A 54 -2.109 7.577 4.392 1.00 0.00 C ATOM 825 CG GLU A 54 -3.196 8.483 3.840 1.00 0.00 C ATOM 826 CD GLU A 54 -2.657 9.816 3.359 1.00 0.00 C ATOM 827 OE1 GLU A 54 -1.728 10.348 4.003 1.00 0.00 O ATOM 828 OE2 GLU A 54 -3.163 10.327 2.338 1.00 0.00 O ATOM 0 H GLU A 54 -0.595 5.812 5.247 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.308 5.915 5.042 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.893 7.868 5.420 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.195 7.729 3.818 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.699 7.979 3.014 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -3.946 8.656 4.612 1.00 0.00 H new ATOM 835 N ALA A 55 -1.934 5.362 2.112 1.00 0.00 N ATOM 836 CA ALA A 55 -2.214 4.960 0.739 1.00 0.00 C ATOM 837 C ALA A 55 -2.980 3.642 0.697 1.00 0.00 C ATOM 838 O ALA A 55 -3.882 3.463 -0.121 1.00 0.00 O ATOM 839 CB ALA A 55 -0.919 4.845 -0.052 1.00 0.00 C ATOM 0 H ALA A 55 -0.944 5.365 2.357 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.839 5.728 0.283 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -1.143 4.544 -1.075 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -0.411 5.809 -0.060 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.274 4.099 0.412 1.00 0.00 H new ATOM 845 N TYR A 56 -2.614 2.723 1.584 1.00 0.00 N ATOM 846 CA TYR A 56 -3.265 1.420 1.646 1.00 0.00 C ATOM 847 C TYR A 56 -4.652 1.533 2.271 1.00 0.00 C ATOM 848 O TYR A 56 -5.638 1.053 1.711 1.00 0.00 O ATOM 849 CB TYR A 56 -2.411 0.437 2.448 1.00 0.00 C ATOM 850 CG TYR A 56 -3.157 -0.808 2.873 1.00 0.00 C ATOM 851 CD1 TYR A 56 -3.432 -1.820 1.962 1.00 0.00 C ATOM 852 CD2 TYR A 56 -3.587 -0.971 4.183 1.00 0.00 C ATOM 853 CE1 TYR A 56 -4.114 -2.959 2.344 1.00 0.00 C ATOM 854 CE2 TYR A 56 -4.268 -2.107 4.575 1.00 0.00 C ATOM 855 CZ TYR A 56 -4.529 -3.098 3.652 1.00 0.00 C ATOM 856 OH TYR A 56 -5.209 -4.231 4.038 1.00 0.00 O ATOM 0 H TYR A 56 -1.870 2.856 2.269 1.00 0.00 H new ATOM 0 HA TYR A 56 -3.374 1.049 0.627 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -1.548 0.146 1.849 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -2.028 0.941 3.335 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -3.107 -1.715 0.937 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -3.386 -0.196 4.908 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -4.321 -3.736 1.623 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -4.594 -2.219 5.598 1.00 0.00 H new ATOM 0 HH TYR A 56 -5.429 -4.172 4.991 1.00 0.00 H new ATOM 866 N GLU A 57 -4.719 2.172 3.435 1.00 0.00 N ATOM 867 CA GLU A 57 -5.985 2.349 4.137 1.00 0.00 C ATOM 868 C GLU A 57 -7.120 2.616 3.152 1.00 0.00 C ATOM 869 O GLU A 57 -8.179 1.991 3.223 1.00 0.00 O ATOM 870 CB GLU A 57 -5.882 3.501 5.138 1.00 0.00 C ATOM 871 CG GLU A 57 -4.784 3.314 6.171 1.00 0.00 C ATOM 872 CD GLU A 57 -5.001 4.155 7.413 1.00 0.00 C ATOM 873 OE1 GLU A 57 -5.283 5.364 7.269 1.00 0.00 O ATOM 874 OE2 GLU A 57 -4.891 3.607 8.529 1.00 0.00 O ATOM 0 H GLU A 57 -3.912 2.575 3.911 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.204 1.428 4.676 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.703 4.429 4.594 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.837 3.611 5.651 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.732 2.263 6.454 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -3.823 3.572 5.725 1.00 0.00 H new ATOM 881 N THR A 58 -6.892 3.549 2.234 1.00 0.00 N ATOM 882 CA THR A 58 -7.895 3.901 1.236 1.00 0.00 C ATOM 883 C THR A 58 -8.155 2.739 0.284 1.00 0.00 C ATOM 884 O THR A 58 -9.303 2.367 0.041 1.00 0.00 O ATOM 885 CB THR A 58 -7.465 5.133 0.418 1.00 0.00 C ATOM 886 OG1 THR A 58 -7.000 6.166 1.295 1.00 0.00 O ATOM 887 CG2 THR A 58 -8.621 5.656 -0.421 1.00 0.00 C ATOM 0 H THR A 58 -6.021 4.075 2.160 1.00 0.00 H new ATOM 0 HA THR A 58 -8.811 4.135 1.778 1.00 0.00 H new ATOM 0 HB THR A 58 -6.658 4.834 -0.250 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.476 6.818 0.784 1.00 0.00 H new ATOM 0 HG21 THR A 58 -8.293 6.526 -0.990 1.00 0.00 H new ATOM 0 HG22 THR A 58 -8.953 4.878 -1.108 1.00 0.00 H new ATOM 0 HG23 THR A 58 -9.446 5.940 0.233 1.00 0.00 H new ATOM 895 N LEU A 59 -7.082 2.168 -0.252 1.00 0.00 N ATOM 896 CA LEU A 59 -7.194 1.046 -1.177 1.00 0.00 C ATOM 897 C LEU A 59 -7.353 -0.269 -0.422 1.00 0.00 C ATOM 898 O LEU A 59 -7.238 -1.348 -1.003 1.00 0.00 O ATOM 899 CB LEU A 59 -5.962 0.981 -2.083 1.00 0.00 C ATOM 900 CG LEU A 59 -5.467 2.317 -2.639 1.00 0.00 C ATOM 901 CD1 LEU A 59 -4.140 2.136 -3.359 1.00 0.00 C ATOM 902 CD2 LEU A 59 -6.504 2.923 -3.573 1.00 0.00 C ATOM 0 H LEU A 59 -6.124 2.464 -0.062 1.00 0.00 H new ATOM 0 HA LEU A 59 -8.081 1.201 -1.791 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.148 0.519 -1.524 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.187 0.322 -2.922 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.314 3.002 -1.805 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.803 3.097 -3.748 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.398 1.746 -2.662 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.266 1.435 -4.184 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.135 3.873 -3.959 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.689 2.241 -4.403 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.432 3.090 -3.027 1.00 0.00 H new ATOM 914 N SER A 60 -7.622 -0.172 0.876 1.00 0.00 N ATOM 915 CA SER A 60 -7.796 -1.354 1.712 1.00 0.00 C ATOM 916 C SER A 60 -9.263 -1.769 1.766 1.00 0.00 C ATOM 917 O SER A 60 -9.604 -2.920 1.490 1.00 0.00 O ATOM 918 CB SER A 60 -7.278 -1.085 3.126 1.00 0.00 C ATOM 919 OG SER A 60 -7.695 -2.100 4.023 1.00 0.00 O ATOM 0 H SER A 60 -7.724 0.714 1.372 1.00 0.00 H new ATOM 0 HA SER A 60 -7.222 -2.169 1.271 1.00 0.00 H new ATOM 0 HB2 SER A 60 -6.189 -1.031 3.114 1.00 0.00 H new ATOM 0 HB3 SER A 60 -7.642 -0.117 3.472 1.00 0.00 H new ATOM 0 HG SER A 60 -6.965 -2.740 4.155 1.00 0.00 H new ATOM 925 N ASP A 61 -10.126 -0.825 2.123 1.00 0.00 N ATOM 926 CA ASP A 61 -11.557 -1.091 2.212 1.00 0.00 C ATOM 927 C ASP A 61 -12.176 -1.210 0.823 1.00 0.00 C ATOM 928 O ASP A 61 -11.471 -1.178 -0.186 1.00 0.00 O ATOM 929 CB ASP A 61 -12.255 0.018 3.001 1.00 0.00 C ATOM 930 CG ASP A 61 -13.480 -0.482 3.742 1.00 0.00 C ATOM 931 OD1 ASP A 61 -13.342 -1.425 4.549 1.00 0.00 O ATOM 932 OD2 ASP A 61 -14.577 0.071 3.515 1.00 0.00 O ATOM 0 H ASP A 61 -9.860 0.132 2.356 1.00 0.00 H new ATOM 0 HA ASP A 61 -11.693 -2.039 2.733 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -11.553 0.449 3.715 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -12.547 0.817 2.319 1.00 0.00 H new ATOM 937 N ALA A 62 -13.496 -1.350 0.779 1.00 0.00 N ATOM 938 CA ALA A 62 -14.210 -1.474 -0.486 1.00 0.00 C ATOM 939 C ALA A 62 -14.729 -0.120 -0.958 1.00 0.00 C ATOM 940 O ALA A 62 -14.292 0.400 -1.984 1.00 0.00 O ATOM 941 CB ALA A 62 -15.357 -2.464 -0.351 1.00 0.00 C ATOM 0 H ALA A 62 -14.093 -1.380 1.605 1.00 0.00 H new ATOM 0 HA ALA A 62 -13.511 -1.847 -1.234 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -15.881 -2.546 -1.303 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -14.964 -3.440 -0.068 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -16.050 -2.116 0.415 1.00 0.00 H new ATOM 947 N ASN A 63 -15.665 0.445 -0.203 1.00 0.00 N ATOM 948 CA ASN A 63 -16.246 1.739 -0.545 1.00 0.00 C ATOM 949 C ASN A 63 -15.158 2.797 -0.709 1.00 0.00 C ATOM 950 O ASN A 63 -15.186 3.589 -1.650 1.00 0.00 O ATOM 951 CB ASN A 63 -17.241 2.176 0.531 1.00 0.00 C ATOM 952 CG ASN A 63 -18.366 1.177 0.718 1.00 0.00 C ATOM 953 OD1 ASN A 63 -19.399 1.257 0.052 1.00 0.00 O ATOM 954 ND2 ASN A 63 -18.172 0.229 1.628 1.00 0.00 N ATOM 0 H ASN A 63 -16.038 0.028 0.650 1.00 0.00 H new ATOM 0 HA ASN A 63 -16.772 1.634 -1.494 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -16.715 2.308 1.476 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -17.661 3.145 0.262 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -18.895 -0.471 1.798 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -17.300 0.201 2.157 1.00 0.00 H new ATOM 961 N ARG A 64 -14.202 2.801 0.214 1.00 0.00 N ATOM 962 CA ARG A 64 -13.106 3.762 0.173 1.00 0.00 C ATOM 963 C ARG A 64 -12.341 3.657 -1.143 1.00 0.00 C ATOM 964 O ARG A 64 -12.177 4.647 -1.857 1.00 0.00 O ATOM 965 CB ARG A 64 -12.154 3.532 1.349 1.00 0.00 C ATOM 966 CG ARG A 64 -12.709 4.002 2.683 1.00 0.00 C ATOM 967 CD ARG A 64 -11.606 4.178 3.715 1.00 0.00 C ATOM 968 NE ARG A 64 -11.954 5.175 4.724 1.00 0.00 N ATOM 969 CZ ARG A 64 -11.070 5.724 5.550 1.00 0.00 C ATOM 970 NH1 ARG A 64 -9.793 5.375 5.486 1.00 0.00 N ATOM 971 NH2 ARG A 64 -11.464 6.625 6.441 1.00 0.00 N ATOM 0 H ARG A 64 -14.164 2.150 0.999 1.00 0.00 H new ATOM 0 HA ARG A 64 -13.530 4.763 0.248 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -11.923 2.469 1.416 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -11.216 4.051 1.153 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -13.235 4.947 2.547 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -13.439 3.280 3.049 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -11.410 3.223 4.202 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -10.685 4.476 3.214 1.00 0.00 H new ATOM 0 HE ARG A 64 -12.929 5.466 4.799 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -9.487 4.683 4.801 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -9.116 5.798 6.121 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -12.446 6.896 6.492 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -10.785 7.046 7.075 1.00 0.00 H new ATOM 985 N ARG A 65 -11.873 2.453 -1.456 1.00 0.00 N ATOM 986 CA ARG A 65 -11.124 2.220 -2.684 1.00 0.00 C ATOM 987 C ARG A 65 -12.002 2.457 -3.910 1.00 0.00 C ATOM 988 O ARG A 65 -11.514 2.843 -4.972 1.00 0.00 O ATOM 989 CB ARG A 65 -10.572 0.794 -2.707 1.00 0.00 C ATOM 990 CG ARG A 65 -9.664 0.511 -3.893 1.00 0.00 C ATOM 991 CD ARG A 65 -10.450 -0.021 -5.082 1.00 0.00 C ATOM 992 NE ARG A 65 -9.597 -0.242 -6.247 1.00 0.00 N ATOM 993 CZ ARG A 65 -10.043 -0.717 -7.404 1.00 0.00 C ATOM 994 NH1 ARG A 65 -11.326 -1.018 -7.551 1.00 0.00 N ATOM 995 NH2 ARG A 65 -9.206 -0.891 -8.418 1.00 0.00 N ATOM 0 H ARG A 65 -12.000 1.624 -0.876 1.00 0.00 H new ATOM 0 HA ARG A 65 -10.293 2.925 -2.712 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -10.019 0.613 -1.785 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -11.405 0.091 -2.722 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -9.142 1.424 -4.179 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -8.903 -0.214 -3.605 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -10.936 -0.957 -4.806 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -11.240 0.685 -5.340 1.00 0.00 H new ATOM 0 HE ARG A 65 -8.605 -0.019 -6.167 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -11.973 -0.885 -6.774 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -11.666 -1.383 -8.441 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -8.218 -0.660 -8.310 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -9.550 -1.256 -9.306 1.00 0.00 H new ATOM 1009 N LYS A 66 -13.301 2.223 -3.755 1.00 0.00 N ATOM 1010 CA LYS A 66 -14.248 2.410 -4.847 1.00 0.00 C ATOM 1011 C LYS A 66 -14.350 3.883 -5.232 1.00 0.00 C ATOM 1012 O LYS A 66 -14.256 4.234 -6.407 1.00 0.00 O ATOM 1013 CB LYS A 66 -15.627 1.879 -4.450 1.00 0.00 C ATOM 1014 CG LYS A 66 -16.544 1.623 -5.634 1.00 0.00 C ATOM 1015 CD LYS A 66 -17.665 0.662 -5.273 1.00 0.00 C ATOM 1016 CE LYS A 66 -17.164 -0.772 -5.188 1.00 0.00 C ATOM 1017 NZ LYS A 66 -17.079 -1.411 -6.530 1.00 0.00 N ATOM 0 H LYS A 66 -13.722 1.903 -2.883 1.00 0.00 H new ATOM 0 HA LYS A 66 -13.885 1.851 -5.710 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -15.503 0.952 -3.890 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -16.104 2.595 -3.780 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -16.969 2.566 -5.977 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -15.965 1.214 -6.462 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -18.102 0.953 -4.318 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -18.457 0.728 -6.019 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -16.181 -0.786 -4.716 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -17.831 -1.353 -4.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -16.734 -2.387 -6.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -18.021 -1.421 -6.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -16.422 -0.872 -7.130 1.00 0.00 H new ATOM 1031 N GLU A 67 -14.541 4.739 -4.233 1.00 0.00 N ATOM 1032 CA GLU A 67 -14.655 6.174 -4.468 1.00 0.00 C ATOM 1033 C GLU A 67 -13.332 6.750 -4.965 1.00 0.00 C ATOM 1034 O GLU A 67 -13.311 7.645 -5.811 1.00 0.00 O ATOM 1035 CB GLU A 67 -15.087 6.890 -3.188 1.00 0.00 C ATOM 1036 CG GLU A 67 -16.380 6.354 -2.596 1.00 0.00 C ATOM 1037 CD GLU A 67 -17.164 7.415 -1.849 1.00 0.00 C ATOM 1038 OE1 GLU A 67 -16.548 8.173 -1.072 1.00 0.00 O ATOM 1039 OE2 GLU A 67 -18.396 7.488 -2.043 1.00 0.00 O ATOM 0 H GLU A 67 -14.620 4.464 -3.254 1.00 0.00 H new ATOM 0 HA GLU A 67 -15.412 6.332 -5.236 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -14.293 6.800 -2.446 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -15.207 7.953 -3.399 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -16.999 5.945 -3.395 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -16.151 5.532 -1.918 1.00 0.00 H new ATOM 1046 N TYR A 68 -12.231 6.231 -4.434 1.00 0.00 N ATOM 1047 CA TYR A 68 -10.904 6.695 -4.820 1.00 0.00 C ATOM 1048 C TYR A 68 -10.640 6.422 -6.298 1.00 0.00 C ATOM 1049 O TYR A 68 -9.941 7.183 -6.967 1.00 0.00 O ATOM 1050 CB TYR A 68 -9.834 6.015 -3.965 1.00 0.00 C ATOM 1051 CG TYR A 68 -8.421 6.397 -4.346 1.00 0.00 C ATOM 1052 CD1 TYR A 68 -7.934 7.673 -4.090 1.00 0.00 C ATOM 1053 CD2 TYR A 68 -7.574 5.484 -4.961 1.00 0.00 C ATOM 1054 CE1 TYR A 68 -6.644 8.028 -4.436 1.00 0.00 C ATOM 1055 CE2 TYR A 68 -6.283 5.829 -5.309 1.00 0.00 C ATOM 1056 CZ TYR A 68 -5.823 7.102 -5.045 1.00 0.00 C ATOM 1057 OH TYR A 68 -4.537 7.451 -5.392 1.00 0.00 O ATOM 0 H TYR A 68 -12.231 5.488 -3.735 1.00 0.00 H new ATOM 0 HA TYR A 68 -10.861 7.772 -4.655 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -10.001 6.270 -2.919 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -9.945 4.934 -4.051 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -8.575 8.400 -3.612 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -7.931 4.487 -5.171 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -6.281 9.024 -4.231 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -5.637 5.106 -5.785 1.00 0.00 H new ATOM 0 HH TYR A 68 -4.092 6.685 -5.810 1.00 0.00 H new ATOM 1067 N ASP A 69 -11.205 5.329 -6.801 1.00 0.00 N ATOM 1068 CA ASP A 69 -11.033 4.954 -8.200 1.00 0.00 C ATOM 1069 C ASP A 69 -12.061 5.657 -9.081 1.00 0.00 C ATOM 1070 O ASP A 69 -11.726 6.195 -10.137 1.00 0.00 O ATOM 1071 CB ASP A 69 -11.155 3.439 -8.362 1.00 0.00 C ATOM 1072 CG ASP A 69 -10.410 2.925 -9.578 1.00 0.00 C ATOM 1073 OD1 ASP A 69 -10.695 3.406 -10.695 1.00 0.00 O ATOM 1074 OD2 ASP A 69 -9.543 2.041 -9.414 1.00 0.00 O ATOM 0 H ASP A 69 -11.786 4.688 -6.261 1.00 0.00 H new ATOM 0 HA ASP A 69 -10.037 5.266 -8.515 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -10.768 2.949 -7.469 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -12.208 3.169 -8.444 1.00 0.00 H new ATOM 1079 N THR A 70 -13.315 5.649 -8.640 1.00 0.00 N ATOM 1080 CA THR A 70 -14.393 6.284 -9.389 1.00 0.00 C ATOM 1081 C THR A 70 -14.205 7.795 -9.448 1.00 0.00 C ATOM 1082 O THR A 70 -14.628 8.446 -10.405 1.00 0.00 O ATOM 1083 CB THR A 70 -15.767 5.973 -8.767 1.00 0.00 C ATOM 1084 OG1 THR A 70 -16.804 6.216 -9.725 1.00 0.00 O ATOM 1085 CG2 THR A 70 -16.006 6.822 -7.528 1.00 0.00 C ATOM 0 H THR A 70 -13.609 5.210 -7.768 1.00 0.00 H new ATOM 0 HA THR A 70 -14.359 5.877 -10.399 1.00 0.00 H new ATOM 0 HB THR A 70 -15.780 4.923 -8.476 1.00 0.00 H new ATOM 0 HG1 THR A 70 -17.675 6.015 -9.323 1.00 0.00 H new ATOM 0 HG21 THR A 70 -16.983 6.584 -7.107 1.00 0.00 H new ATOM 0 HG22 THR A 70 -15.232 6.614 -6.789 1.00 0.00 H new ATOM 0 HG23 THR A 70 -15.975 7.877 -7.799 1.00 0.00 H new ATOM 1093 N LEU A 71 -13.568 8.348 -8.422 1.00 0.00 N ATOM 1094 CA LEU A 71 -13.323 9.785 -8.359 1.00 0.00 C ATOM 1095 C LEU A 71 -11.877 10.108 -8.720 1.00 0.00 C ATOM 1096 O LEU A 71 -11.613 10.956 -9.572 1.00 0.00 O ATOM 1097 CB LEU A 71 -13.641 10.315 -6.959 1.00 0.00 C ATOM 1098 CG LEU A 71 -15.048 10.025 -6.435 1.00 0.00 C ATOM 1099 CD1 LEU A 71 -15.097 10.182 -4.924 1.00 0.00 C ATOM 1100 CD2 LEU A 71 -16.065 10.939 -7.103 1.00 0.00 C ATOM 0 H LEU A 71 -13.212 7.824 -7.623 1.00 0.00 H new ATOM 0 HA LEU A 71 -13.976 10.272 -9.083 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -12.920 9.892 -6.260 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -13.490 11.394 -6.958 1.00 0.00 H new ATOM 0 HG LEU A 71 -15.301 8.994 -6.680 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -16.106 9.972 -4.569 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -14.397 9.485 -4.463 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -14.823 11.202 -4.655 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -17.061 10.718 -6.718 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -15.815 11.978 -6.890 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -16.048 10.776 -8.181 1.00 0.00 H new ATOM 1112 N GLY A 72 -10.942 9.423 -8.068 1.00 0.00 N ATOM 1113 CA GLY A 72 -9.534 9.649 -8.337 1.00 0.00 C ATOM 1114 C GLY A 72 -8.753 9.994 -7.084 1.00 0.00 C ATOM 1115 O GLY A 72 -8.963 9.396 -6.028 1.00 0.00 O ATOM 0 H GLY A 72 -11.135 8.716 -7.359 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -9.107 8.756 -8.794 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -9.431 10.458 -9.060 1.00 0.00 H new ATOM 1119 N HIS A 73 -7.847 10.960 -7.200 1.00 0.00 N ATOM 1120 CA HIS A 73 -7.031 11.383 -6.067 1.00 0.00 C ATOM 1121 C HIS A 73 -7.369 12.813 -5.658 1.00 0.00 C ATOM 1122 O HIS A 73 -7.507 13.114 -4.473 1.00 0.00 O ATOM 1123 CB HIS A 73 -5.546 11.276 -6.414 1.00 0.00 C ATOM 1124 CG HIS A 73 -4.640 11.741 -5.316 1.00 0.00 C ATOM 1125 ND1 HIS A 73 -4.351 10.978 -4.205 1.00 0.00 N ATOM 1126 CD2 HIS A 73 -3.955 12.899 -5.164 1.00 0.00 C ATOM 1127 CE1 HIS A 73 -3.529 11.647 -3.416 1.00 0.00 C ATOM 1128 NE2 HIS A 73 -3.273 12.816 -3.975 1.00 0.00 N ATOM 0 H HIS A 73 -7.659 11.464 -8.067 1.00 0.00 H new ATOM 0 HA HIS A 73 -7.249 10.723 -5.227 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -5.311 10.239 -6.653 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -5.348 11.863 -7.311 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -3.947 13.733 -5.850 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -3.134 11.297 -2.474 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -2.667 13.539 -3.587 1.00 0.00 H new ATOM 1136 N SER A 74 -7.500 13.691 -6.648 1.00 0.00 N ATOM 1137 CA SER A 74 -7.816 15.091 -6.390 1.00 0.00 C ATOM 1138 C SER A 74 -9.286 15.256 -6.018 1.00 0.00 C ATOM 1139 O SER A 74 -9.629 16.034 -5.128 1.00 0.00 O ATOM 1140 CB SER A 74 -7.491 15.944 -7.619 1.00 0.00 C ATOM 1141 OG SER A 74 -8.422 15.711 -8.661 1.00 0.00 O ATOM 0 H SER A 74 -7.392 13.458 -7.635 1.00 0.00 H new ATOM 0 HA SER A 74 -7.206 15.427 -5.551 1.00 0.00 H new ATOM 0 HB2 SER A 74 -7.502 16.999 -7.346 1.00 0.00 H new ATOM 0 HB3 SER A 74 -6.484 15.715 -7.969 1.00 0.00 H new ATOM 0 HG SER A 74 -8.194 16.269 -9.434 1.00 0.00 H new ATOM 1147 N ALA A 75 -10.151 14.517 -6.705 1.00 0.00 N ATOM 1148 CA ALA A 75 -11.584 14.578 -6.446 1.00 0.00 C ATOM 1149 C ALA A 75 -11.947 13.805 -5.183 1.00 0.00 C ATOM 1150 O ALA A 75 -12.637 14.321 -4.303 1.00 0.00 O ATOM 1151 CB ALA A 75 -12.360 14.040 -7.639 1.00 0.00 C ATOM 0 H ALA A 75 -9.884 13.869 -7.446 1.00 0.00 H new ATOM 0 HA ALA A 75 -11.856 15.622 -6.292 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -13.429 14.092 -7.431 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -12.132 14.639 -8.521 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -12.076 13.004 -7.821 1.00 0.00 H new ATOM 1157 N PHE A 76 -11.480 12.564 -5.100 1.00 0.00 N ATOM 1158 CA PHE A 76 -11.757 11.718 -3.944 1.00 0.00 C ATOM 1159 C PHE A 76 -11.384 12.430 -2.647 1.00 0.00 C ATOM 1160 O PHE A 76 -12.033 12.248 -1.616 1.00 0.00 O ATOM 1161 CB PHE A 76 -10.989 10.399 -4.055 1.00 0.00 C ATOM 1162 CG PHE A 76 -10.965 9.610 -2.777 1.00 0.00 C ATOM 1163 CD1 PHE A 76 -12.081 8.901 -2.365 1.00 0.00 C ATOM 1164 CD2 PHE A 76 -9.827 9.578 -1.988 1.00 0.00 C ATOM 1165 CE1 PHE A 76 -12.063 8.174 -1.189 1.00 0.00 C ATOM 1166 CE2 PHE A 76 -9.802 8.854 -0.811 1.00 0.00 C ATOM 1167 CZ PHE A 76 -10.921 8.150 -0.412 1.00 0.00 C ATOM 0 H PHE A 76 -10.908 12.121 -5.819 1.00 0.00 H new ATOM 0 HA PHE A 76 -12.826 11.507 -3.927 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -11.439 9.791 -4.840 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -9.965 10.609 -4.362 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -12.976 8.916 -2.969 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -8.949 10.125 -2.296 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -12.940 7.626 -0.878 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -8.909 8.839 -0.204 1.00 0.00 H new ATOM 0 HZ PHE A 76 -10.903 7.582 0.506 1.00 0.00 H new ATOM 1177 N THR A 77 -10.332 13.241 -2.706 1.00 0.00 N ATOM 1178 CA THR A 77 -9.870 13.979 -1.537 1.00 0.00 C ATOM 1179 C THR A 77 -10.646 15.281 -1.367 1.00 0.00 C ATOM 1180 O THR A 77 -10.056 16.349 -1.202 1.00 0.00 O ATOM 1181 CB THR A 77 -8.367 14.299 -1.633 1.00 0.00 C ATOM 1182 OG1 THR A 77 -8.075 14.911 -2.894 1.00 0.00 O ATOM 1183 CG2 THR A 77 -7.533 13.037 -1.471 1.00 0.00 C ATOM 0 H THR A 77 -9.784 13.403 -3.551 1.00 0.00 H new ATOM 0 HA THR A 77 -10.043 13.340 -0.671 1.00 0.00 H new ATOM 0 HB THR A 77 -8.114 14.989 -0.828 1.00 0.00 H new ATOM 0 HG1 THR A 77 -7.445 14.349 -3.392 1.00 0.00 H new ATOM 0 HG21 THR A 77 -6.475 13.289 -1.543 1.00 0.00 H new ATOM 0 HG22 THR A 77 -7.735 12.590 -0.498 1.00 0.00 H new ATOM 0 HG23 THR A 77 -7.791 12.327 -2.257 1.00 0.00 H new ATOM 1191 N SER A 78 -11.971 15.184 -1.406 1.00 0.00 N ATOM 1192 CA SER A 78 -12.827 16.355 -1.260 1.00 0.00 C ATOM 1193 C SER A 78 -13.335 16.481 0.174 1.00 0.00 C ATOM 1194 O SER A 78 -14.088 15.634 0.653 1.00 0.00 O ATOM 1195 CB SER A 78 -14.010 16.273 -2.227 1.00 0.00 C ATOM 1196 OG SER A 78 -14.979 17.263 -1.932 1.00 0.00 O ATOM 0 H SER A 78 -12.475 14.307 -1.537 1.00 0.00 H new ATOM 0 HA SER A 78 -12.235 17.239 -1.497 1.00 0.00 H new ATOM 0 HB2 SER A 78 -13.657 16.399 -3.250 1.00 0.00 H new ATOM 0 HB3 SER A 78 -14.465 15.285 -2.167 1.00 0.00 H new ATOM 0 HG SER A 78 -15.724 17.191 -2.565 1.00 0.00 H new ATOM 1202 N GLY A 79 -12.916 17.544 0.852 1.00 0.00 N ATOM 1203 CA GLY A 79 -13.338 17.762 2.224 1.00 0.00 C ATOM 1204 C GLY A 79 -12.368 18.634 2.997 1.00 0.00 C ATOM 1205 O GLY A 79 -12.780 19.531 3.734 1.00 0.00 O ATOM 0 H GLY A 79 -12.292 18.258 0.477 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -14.323 18.228 2.228 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -13.438 16.800 2.727 1.00 0.00 H new ATOM 1209 N LYS A 80 -11.077 18.371 2.831 1.00 0.00 N ATOM 1210 CA LYS A 80 -10.045 19.138 3.518 1.00 0.00 C ATOM 1211 C LYS A 80 -9.051 19.727 2.523 1.00 0.00 C ATOM 1212 O LYS A 80 -8.111 19.056 2.098 1.00 0.00 O ATOM 1213 CB LYS A 80 -9.309 18.252 4.526 1.00 0.00 C ATOM 1214 CG LYS A 80 -8.726 16.990 3.915 1.00 0.00 C ATOM 1215 CD LYS A 80 -8.617 15.873 4.940 1.00 0.00 C ATOM 1216 CE LYS A 80 -7.274 15.903 5.655 1.00 0.00 C ATOM 1217 NZ LYS A 80 -7.149 14.798 6.645 1.00 0.00 N ATOM 0 H LYS A 80 -10.720 17.632 2.226 1.00 0.00 H new ATOM 0 HA LYS A 80 -10.530 19.958 4.049 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -8.505 18.828 4.985 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -9.998 17.975 5.324 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -9.353 16.664 3.085 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -7.740 17.206 3.504 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -9.421 15.967 5.670 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -8.746 14.910 4.446 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -6.471 15.827 4.922 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -7.154 16.860 6.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -6.221 14.853 7.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -7.900 14.885 7.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -7.238 13.884 6.158 1.00 0.00 H new ATOM 1231 N GLY A 81 -9.264 20.987 2.156 1.00 0.00 N ATOM 1232 CA GLY A 81 -8.377 21.646 1.214 1.00 0.00 C ATOM 1233 C GLY A 81 -6.968 21.793 1.751 1.00 0.00 C ATOM 1234 O GLY A 81 -6.449 20.890 2.407 1.00 0.00 O ATOM 0 H GLY A 81 -10.035 21.563 2.494 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -8.351 21.077 0.285 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -8.775 22.632 0.973 1.00 0.00 H new ATOM 1238 N GLN A 82 -6.346 22.934 1.471 1.00 0.00 N ATOM 1239 CA GLN A 82 -4.986 23.195 1.929 1.00 0.00 C ATOM 1240 C GLN A 82 -4.023 22.132 1.409 1.00 0.00 C ATOM 1241 O GLN A 82 -3.136 21.678 2.131 1.00 0.00 O ATOM 1242 CB GLN A 82 -4.940 23.238 3.457 1.00 0.00 C ATOM 1243 CG GLN A 82 -5.792 24.343 4.061 1.00 0.00 C ATOM 1244 CD GLN A 82 -5.499 24.569 5.531 1.00 0.00 C ATOM 1245 OE1 GLN A 82 -4.389 24.317 6.001 1.00 0.00 O ATOM 1246 NE2 GLN A 82 -6.496 25.047 6.267 1.00 0.00 N ATOM 0 H GLN A 82 -6.762 23.692 0.930 1.00 0.00 H new ATOM 0 HA GLN A 82 -4.676 24.163 1.536 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -5.274 22.278 3.849 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -3.907 23.371 3.777 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -5.620 25.270 3.514 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -6.846 24.092 3.939 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -7.400 25.242 5.836 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -6.358 25.219 7.263 1.00 0.00 H new ATOM 1255 N SER A 83 -4.206 21.740 0.152 1.00 0.00 N ATOM 1256 CA SER A 83 -3.356 20.727 -0.463 1.00 0.00 C ATOM 1257 C SER A 83 -2.535 21.326 -1.601 1.00 0.00 C ATOM 1258 O SER A 83 -1.317 21.163 -1.656 1.00 0.00 O ATOM 1259 CB SER A 83 -4.205 19.567 -0.986 1.00 0.00 C ATOM 1260 OG SER A 83 -3.403 18.609 -1.655 1.00 0.00 O ATOM 0 H SER A 83 -4.934 22.108 -0.460 1.00 0.00 H new ATOM 0 HA SER A 83 -2.671 20.352 0.297 1.00 0.00 H new ATOM 0 HB2 SER A 83 -4.728 19.092 -0.156 1.00 0.00 H new ATOM 0 HB3 SER A 83 -4.966 19.948 -1.667 1.00 0.00 H new ATOM 0 HG SER A 83 -3.969 17.877 -1.978 1.00 0.00 H new ATOM 1266 N GLY A 84 -3.213 22.019 -2.511 1.00 0.00 N ATOM 1267 CA GLY A 84 -2.532 22.632 -3.636 1.00 0.00 C ATOM 1268 C GLY A 84 -2.453 21.710 -4.837 1.00 0.00 C ATOM 1269 O GLY A 84 -1.382 21.227 -5.206 1.00 0.00 O ATOM 0 H GLY A 84 -4.222 22.167 -2.489 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -3.053 23.547 -3.918 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -1.524 22.919 -3.335 1.00 0.00 H new ATOM 1273 N PRO A 85 -3.608 21.453 -5.468 1.00 0.00 N ATOM 1274 CA PRO A 85 -3.691 20.580 -6.643 1.00 0.00 C ATOM 1275 C PRO A 85 -3.044 21.204 -7.875 1.00 0.00 C ATOM 1276 O PRO A 85 -2.979 22.426 -8.002 1.00 0.00 O ATOM 1277 CB PRO A 85 -5.198 20.415 -6.856 1.00 0.00 C ATOM 1278 CG PRO A 85 -5.802 21.634 -6.248 1.00 0.00 C ATOM 1279 CD PRO A 85 -4.922 21.995 -5.083 1.00 0.00 C ATOM 0 HA PRO A 85 -3.163 19.639 -6.490 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -5.442 20.339 -7.916 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -5.569 19.509 -6.377 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -5.847 22.449 -6.970 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -6.824 21.442 -5.920 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -4.882 23.073 -4.928 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -5.283 21.553 -4.154 1.00 0.00 H new ATOM 1287 N SER A 86 -2.566 20.355 -8.780 1.00 0.00 N ATOM 1288 CA SER A 86 -1.920 20.823 -10.000 1.00 0.00 C ATOM 1289 C SER A 86 -2.670 20.331 -11.235 1.00 0.00 C ATOM 1290 O SER A 86 -3.246 19.243 -11.232 1.00 0.00 O ATOM 1291 CB SER A 86 -0.467 20.347 -10.049 1.00 0.00 C ATOM 1292 OG SER A 86 0.169 20.770 -11.243 1.00 0.00 O ATOM 0 H SER A 86 -2.614 19.340 -8.691 1.00 0.00 H new ATOM 0 HA SER A 86 -1.937 21.913 -9.995 1.00 0.00 H new ATOM 0 HB2 SER A 86 0.075 20.736 -9.187 1.00 0.00 H new ATOM 0 HB3 SER A 86 -0.435 19.260 -9.982 1.00 0.00 H new ATOM 0 HG SER A 86 1.097 20.454 -11.249 1.00 0.00 H new ATOM 1298 N SER A 87 -2.658 21.141 -12.289 1.00 0.00 N ATOM 1299 CA SER A 87 -3.340 20.791 -13.529 1.00 0.00 C ATOM 1300 C SER A 87 -2.689 19.575 -14.182 1.00 0.00 C ATOM 1301 O SER A 87 -3.373 18.647 -14.611 1.00 0.00 O ATOM 1302 CB SER A 87 -3.321 21.975 -14.498 1.00 0.00 C ATOM 1303 OG SER A 87 -2.006 22.240 -14.955 1.00 0.00 O ATOM 0 H SER A 87 -2.184 22.044 -12.309 1.00 0.00 H new ATOM 0 HA SER A 87 -4.374 20.543 -13.289 1.00 0.00 H new ATOM 0 HB2 SER A 87 -3.969 21.763 -15.349 1.00 0.00 H new ATOM 0 HB3 SER A 87 -3.723 22.860 -14.004 1.00 0.00 H new ATOM 0 HG SER A 87 -2.022 23.000 -15.574 1.00 0.00 H new ATOM 1309 N GLY A 88 -1.361 19.589 -14.254 1.00 0.00 N ATOM 1310 CA GLY A 88 -0.639 18.484 -14.856 1.00 0.00 C ATOM 1311 C GLY A 88 0.861 18.608 -14.682 1.00 0.00 C ATOM 1312 O GLY A 88 1.631 18.110 -15.503 1.00 0.00 O ATOM 0 H GLY A 88 -0.773 20.346 -13.906 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -0.977 17.548 -14.411 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -0.876 18.436 -15.919 1.00 0.00 H new TER 1316 GLY A 88