USER MOD reduce.3.24.130724 H: found=0, std=0, add=781, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 779 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 48 SER OG : rot 180:sc= 1.1 USER MOD Set 1.2: A 51 SER OG : rot 125:sc= 1.28 USER MOD Set 2.1: A 23 THR OG1 : rot -36:sc= 1.19 USER MOD Set 2.2: A 27 LYS NZ :NH3+ -162:sc= 1.21 (180deg=1.12) USER MOD Set 3.1: A 13 MET CE :methyl 175:sc= -0.112 (180deg=-0.188) USER MOD Set 3.2: A 67 GLN : amide:sc= 0.116 X(o=0.0041,f=-0.19) 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 GLN : amide:sc= 0 X(o=0,f=-0.057) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 162:sc= 1.17 USER MOD Single : A 25 GLN : amide:sc= -0.0252 X(o=-0.025,f=-0.067) USER MOD Single : A 29 LYS NZ :NH3+ -138:sc= 1.28 (180deg=0.473) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 36 CYS SG : rot 180:sc= 0.0392 USER MOD Single : A 37 GLN : amide:sc= 0.276 K(o=0.28,f=-3.3!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl -159:sc= -0.773 (180deg=-2.28) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0147 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN : amide:sc= -1.48 X(o=-1.5,f=-1.3) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 90 GLN : amide:sc= -0.0987 X(o=-0.099,f=0) USER MOD Single : A 91 GLN : amide:sc= -0.137 K(o=-0.14,f=-0.78) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0.0216 USER MOD Single : A 100 SER OG : rot 1:sc= 0.453 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.630 -10.896 -28.700 1.00 0.00 N ATOM 2 CA GLY A 1 9.951 -11.629 -27.630 1.00 0.00 C ATOM 3 C GLY A 1 9.520 -10.714 -26.497 1.00 0.00 C ATOM 4 O GLY A 1 10.335 -9.977 -25.939 1.00 0.00 O ATOM 0 H1 GLY A 1 10.907 -11.558 -29.453 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.988 -10.177 -29.090 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.478 -10.431 -28.318 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.077 -12.138 -28.037 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.616 -12.400 -27.240 1.00 0.00 H new ATOM 8 N SER A 2 8.241 -10.795 -26.127 1.00 0.00 N ATOM 9 CA SER A 2 7.738 -10.401 -24.815 1.00 0.00 C ATOM 10 C SER A 2 7.481 -11.679 -24.010 1.00 0.00 C ATOM 11 O SER A 2 7.516 -12.771 -24.582 1.00 0.00 O ATOM 12 CB SER A 2 6.422 -9.642 -24.996 1.00 0.00 C ATOM 13 OG SER A 2 6.603 -8.437 -25.719 1.00 0.00 O ATOM 0 H SER A 2 7.511 -11.145 -26.748 1.00 0.00 H new ATOM 0 HA SER A 2 8.455 -9.763 -24.299 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.706 -10.276 -25.520 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.994 -9.418 -24.019 1.00 0.00 H new ATOM 0 HG SER A 2 5.741 -7.981 -25.816 1.00 0.00 H new ATOM 19 N SER A 3 7.160 -11.565 -22.722 1.00 0.00 N ATOM 20 CA SER A 3 6.654 -12.658 -21.909 1.00 0.00 C ATOM 21 C SER A 3 5.853 -12.007 -20.782 1.00 0.00 C ATOM 22 O SER A 3 6.423 -11.522 -19.803 1.00 0.00 O ATOM 23 CB SER A 3 7.829 -13.529 -21.432 1.00 0.00 C ATOM 24 OG SER A 3 7.403 -14.635 -20.649 1.00 0.00 O ATOM 0 H SER A 3 7.248 -10.688 -22.208 1.00 0.00 H new ATOM 0 HA SER A 3 5.999 -13.339 -22.452 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.383 -13.893 -22.298 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.517 -12.918 -20.848 1.00 0.00 H new ATOM 0 HG SER A 3 8.183 -15.159 -20.371 1.00 0.00 H new ATOM 30 N GLY A 4 4.531 -11.937 -20.945 1.00 0.00 N ATOM 31 CA GLY A 4 3.645 -11.293 -19.990 1.00 0.00 C ATOM 32 C GLY A 4 2.204 -11.697 -20.263 1.00 0.00 C ATOM 33 O GLY A 4 1.854 -12.864 -20.086 1.00 0.00 O ATOM 0 H GLY A 4 4.047 -12.331 -21.752 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.924 -11.575 -18.975 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.747 -10.210 -20.060 1.00 0.00 H new ATOM 37 N SER A 5 1.371 -10.750 -20.702 1.00 0.00 N ATOM 38 CA SER A 5 -0.089 -10.809 -20.688 1.00 0.00 C ATOM 39 C SER A 5 -0.601 -10.736 -19.247 1.00 0.00 C ATOM 40 O SER A 5 -1.404 -9.859 -18.938 1.00 0.00 O ATOM 41 CB SER A 5 -0.634 -12.022 -21.468 1.00 0.00 C ATOM 42 OG SER A 5 -2.005 -11.873 -21.793 1.00 0.00 O ATOM 0 H SER A 5 1.718 -9.876 -21.097 1.00 0.00 H new ATOM 0 HA SER A 5 -0.477 -9.939 -21.218 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.057 -12.153 -22.383 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.499 -12.926 -20.874 1.00 0.00 H new ATOM 0 HG SER A 5 -2.311 -12.661 -22.288 1.00 0.00 H new ATOM 48 N SER A 6 -0.178 -11.639 -18.366 1.00 0.00 N ATOM 49 CA SER A 6 -0.537 -11.617 -16.957 1.00 0.00 C ATOM 50 C SER A 6 0.545 -10.903 -16.144 1.00 0.00 C ATOM 51 O SER A 6 1.598 -10.524 -16.669 1.00 0.00 O ATOM 52 CB SER A 6 -0.775 -13.057 -16.499 1.00 0.00 C ATOM 53 OG SER A 6 -1.899 -13.570 -17.193 1.00 0.00 O ATOM 0 H SER A 6 0.432 -12.416 -18.618 1.00 0.00 H new ATOM 0 HA SER A 6 -1.456 -11.053 -16.798 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.105 -13.668 -16.699 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.947 -13.089 -15.423 1.00 0.00 H new ATOM 0 HG SER A 6 -2.064 -14.494 -16.911 1.00 0.00 H new ATOM 59 N GLY A 7 0.258 -10.678 -14.863 1.00 0.00 N ATOM 60 CA GLY A 7 1.130 -9.956 -13.953 1.00 0.00 C ATOM 61 C GLY A 7 0.392 -9.393 -12.738 1.00 0.00 C ATOM 62 O GLY A 7 0.896 -8.449 -12.120 1.00 0.00 O ATOM 0 H GLY A 7 -0.605 -11.001 -14.425 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.923 -10.622 -13.613 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.610 -9.138 -14.491 1.00 0.00 H new ATOM 66 N GLN A 8 -0.792 -9.917 -12.413 1.00 0.00 N ATOM 67 CA GLN A 8 -1.602 -9.511 -11.270 1.00 0.00 C ATOM 68 C GLN A 8 -0.985 -10.005 -9.952 1.00 0.00 C ATOM 69 O GLN A 8 -0.057 -10.824 -9.939 1.00 0.00 O ATOM 70 CB GLN A 8 -3.026 -10.055 -11.452 1.00 0.00 C ATOM 71 CG GLN A 8 -3.792 -9.280 -12.538 1.00 0.00 C ATOM 72 CD GLN A 8 -4.890 -10.126 -13.178 1.00 0.00 C ATOM 73 OE1 GLN A 8 -4.627 -11.179 -13.747 1.00 0.00 O ATOM 74 NE2 GLN A 8 -6.131 -9.689 -13.117 1.00 0.00 N ATOM 0 H GLN A 8 -1.225 -10.661 -12.960 1.00 0.00 H new ATOM 0 HA GLN A 8 -1.635 -8.423 -11.219 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -2.982 -11.111 -11.720 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -3.565 -9.988 -10.507 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -4.233 -8.384 -12.101 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -3.094 -8.949 -13.307 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -6.340 -8.811 -12.641 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -6.883 -10.228 -13.546 1.00 0.00 H new ATOM 83 N TYR A 9 -1.553 -9.521 -8.845 1.00 0.00 N ATOM 84 CA TYR A 9 -1.083 -9.688 -7.475 1.00 0.00 C ATOM 85 C TYR A 9 -0.981 -11.137 -7.020 1.00 0.00 C ATOM 86 O TYR A 9 -0.319 -11.381 -6.017 1.00 0.00 O ATOM 87 CB TYR A 9 -2.029 -8.953 -6.522 1.00 0.00 C ATOM 88 CG TYR A 9 -3.470 -9.409 -6.630 1.00 0.00 C ATOM 89 CD1 TYR A 9 -3.888 -10.605 -6.015 1.00 0.00 C ATOM 90 CD2 TYR A 9 -4.379 -8.669 -7.406 1.00 0.00 C ATOM 91 CE1 TYR A 9 -5.206 -11.059 -6.173 1.00 0.00 C ATOM 92 CE2 TYR A 9 -5.695 -9.122 -7.583 1.00 0.00 C ATOM 93 CZ TYR A 9 -6.115 -10.322 -6.964 1.00 0.00 C ATOM 94 OH TYR A 9 -7.370 -10.808 -7.149 1.00 0.00 O ATOM 0 H TYR A 9 -2.408 -8.967 -8.889 1.00 0.00 H new ATOM 0 HA TYR A 9 -0.074 -9.275 -7.454 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -1.686 -9.099 -5.498 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -1.978 -7.883 -6.726 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -3.191 -11.175 -5.419 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -4.062 -7.746 -7.869 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -5.525 -11.971 -5.690 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -6.385 -8.556 -8.190 1.00 0.00 H new ATOM 0 HH TYR A 9 -7.880 -10.191 -7.714 1.00 0.00 H new ATOM 104 N GLU A 10 -1.624 -12.091 -7.701 1.00 0.00 N ATOM 105 CA GLU A 10 -1.474 -13.514 -7.400 1.00 0.00 C ATOM 106 C GLU A 10 0.025 -13.855 -7.365 1.00 0.00 C ATOM 107 O GLU A 10 0.470 -14.516 -6.435 1.00 0.00 O ATOM 108 CB GLU A 10 -2.296 -14.353 -8.403 1.00 0.00 C ATOM 109 CG GLU A 10 -3.793 -14.384 -8.018 1.00 0.00 C ATOM 110 CD GLU A 10 -4.733 -14.911 -9.118 1.00 0.00 C ATOM 111 OE1 GLU A 10 -4.750 -14.296 -10.213 1.00 0.00 O ATOM 112 OE2 GLU A 10 -5.526 -15.853 -8.866 1.00 0.00 O ATOM 0 H GLU A 10 -2.261 -11.897 -8.474 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.876 -13.760 -6.417 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.185 -13.937 -9.405 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.906 -15.370 -8.435 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -3.912 -15.005 -7.130 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.105 -13.375 -7.746 1.00 0.00 H new ATOM 119 N LEU A 11 0.833 -13.274 -8.264 1.00 0.00 N ATOM 120 CA LEU A 11 2.292 -13.384 -8.240 1.00 0.00 C ATOM 121 C LEU A 11 2.876 -12.945 -6.897 1.00 0.00 C ATOM 122 O LEU A 11 3.699 -13.651 -6.315 1.00 0.00 O ATOM 123 CB LEU A 11 2.887 -12.581 -9.409 1.00 0.00 C ATOM 124 CG LEU A 11 4.357 -12.959 -9.693 1.00 0.00 C ATOM 125 CD1 LEU A 11 4.660 -12.775 -11.181 1.00 0.00 C ATOM 126 CD2 LEU A 11 5.370 -12.123 -8.902 1.00 0.00 C ATOM 0 H LEU A 11 0.483 -12.708 -9.037 1.00 0.00 H new ATOM 0 HA LEU A 11 2.563 -14.433 -8.361 1.00 0.00 H new ATOM 0 HB2 LEU A 11 2.291 -12.753 -10.305 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.825 -11.516 -9.184 1.00 0.00 H new ATOM 0 HG LEU A 11 4.463 -13.998 -9.381 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.698 -13.043 -11.377 1.00 0.00 H new ATOM 0 HD12 LEU A 11 4.003 -13.417 -11.768 1.00 0.00 H new ATOM 0 HD13 LEU A 11 4.495 -11.734 -11.460 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.381 -12.444 -9.152 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.250 -11.070 -9.156 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.200 -12.260 -7.834 1.00 0.00 H new ATOM 138 N TYR A 12 2.464 -11.773 -6.417 1.00 0.00 N ATOM 139 CA TYR A 12 2.968 -11.153 -5.197 1.00 0.00 C ATOM 140 C TYR A 12 2.538 -11.955 -3.966 1.00 0.00 C ATOM 141 O TYR A 12 3.280 -12.029 -2.987 1.00 0.00 O ATOM 142 CB TYR A 12 2.460 -9.704 -5.079 1.00 0.00 C ATOM 143 CG TYR A 12 2.570 -8.800 -6.301 1.00 0.00 C ATOM 144 CD1 TYR A 12 3.461 -9.066 -7.358 1.00 0.00 C ATOM 145 CD2 TYR A 12 1.786 -7.634 -6.348 1.00 0.00 C ATOM 146 CE1 TYR A 12 3.549 -8.190 -8.450 1.00 0.00 C ATOM 147 CE2 TYR A 12 1.874 -6.738 -7.421 1.00 0.00 C ATOM 148 CZ TYR A 12 2.763 -7.016 -8.476 1.00 0.00 C ATOM 149 OH TYR A 12 2.818 -6.166 -9.535 1.00 0.00 O ATOM 0 H TYR A 12 1.749 -11.213 -6.882 1.00 0.00 H new ATOM 0 HA TYR A 12 4.057 -11.144 -5.247 1.00 0.00 H new ATOM 0 HB2 TYR A 12 1.411 -9.742 -4.786 1.00 0.00 H new ATOM 0 HB3 TYR A 12 3.002 -9.227 -4.262 1.00 0.00 H new ATOM 0 HD1 TYR A 12 4.081 -9.950 -7.328 1.00 0.00 H new ATOM 0 HD2 TYR A 12 1.101 -7.425 -5.539 1.00 0.00 H new ATOM 0 HE1 TYR A 12 4.216 -8.412 -9.269 1.00 0.00 H new ATOM 0 HE2 TYR A 12 1.267 -5.845 -7.439 1.00 0.00 H new ATOM 0 HH TYR A 12 2.210 -5.413 -9.382 1.00 0.00 H new ATOM 159 N MET A 13 1.362 -12.594 -4.008 1.00 0.00 N ATOM 160 CA MET A 13 0.910 -13.463 -2.928 1.00 0.00 C ATOM 161 C MET A 13 1.921 -14.581 -2.698 1.00 0.00 C ATOM 162 O MET A 13 2.164 -14.966 -1.550 1.00 0.00 O ATOM 163 CB MET A 13 -0.447 -14.110 -3.236 1.00 0.00 C ATOM 164 CG MET A 13 -1.605 -13.133 -3.389 1.00 0.00 C ATOM 165 SD MET A 13 -1.882 -12.047 -1.956 1.00 0.00 S ATOM 166 CE MET A 13 -3.051 -10.885 -2.701 1.00 0.00 C ATOM 0 H MET A 13 0.707 -12.521 -4.786 1.00 0.00 H new ATOM 0 HA MET A 13 0.810 -12.836 -2.042 1.00 0.00 H new ATOM 0 HB2 MET A 13 -0.356 -14.689 -4.155 1.00 0.00 H new ATOM 0 HB3 MET A 13 -0.687 -14.813 -2.438 1.00 0.00 H new ATOM 0 HG2 MET A 13 -1.425 -12.513 -4.267 1.00 0.00 H new ATOM 0 HG3 MET A 13 -2.517 -13.699 -3.580 1.00 0.00 H new ATOM 0 HE1 MET A 13 -3.407 -10.189 -1.941 1.00 0.00 H new ATOM 0 HE2 MET A 13 -2.555 -10.330 -3.497 1.00 0.00 H new ATOM 0 HE3 MET A 13 -3.897 -11.434 -3.114 1.00 0.00 H new ATOM 176 N TYR A 14 2.486 -15.111 -3.781 1.00 0.00 N ATOM 177 CA TYR A 14 3.490 -16.156 -3.743 1.00 0.00 C ATOM 178 C TYR A 14 4.826 -15.556 -3.320 1.00 0.00 C ATOM 179 O TYR A 14 5.435 -16.019 -2.353 1.00 0.00 O ATOM 180 CB TYR A 14 3.585 -16.843 -5.118 1.00 0.00 C ATOM 181 CG TYR A 14 2.248 -17.192 -5.756 1.00 0.00 C ATOM 182 CD1 TYR A 14 1.179 -17.646 -4.956 1.00 0.00 C ATOM 183 CD2 TYR A 14 2.051 -16.987 -7.138 1.00 0.00 C ATOM 184 CE1 TYR A 14 -0.086 -17.865 -5.516 1.00 0.00 C ATOM 185 CE2 TYR A 14 0.802 -17.290 -7.724 1.00 0.00 C ATOM 186 CZ TYR A 14 -0.271 -17.725 -6.907 1.00 0.00 C ATOM 187 OH TYR A 14 -1.497 -18.026 -7.419 1.00 0.00 O ATOM 0 H TYR A 14 2.249 -14.815 -4.728 1.00 0.00 H new ATOM 0 HA TYR A 14 3.211 -16.916 -3.013 1.00 0.00 H new ATOM 0 HB2 TYR A 14 4.135 -16.191 -5.796 1.00 0.00 H new ATOM 0 HB3 TYR A 14 4.169 -17.757 -5.011 1.00 0.00 H new ATOM 0 HD1 TYR A 14 1.337 -17.826 -3.903 1.00 0.00 H new ATOM 0 HD2 TYR A 14 2.854 -16.599 -7.747 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -0.918 -18.140 -4.884 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.665 -17.191 -8.791 1.00 0.00 H new ATOM 0 HH TYR A 14 -1.490 -17.886 -8.389 1.00 0.00 H new ATOM 197 N ARG A 15 5.303 -14.541 -4.043 1.00 0.00 N ATOM 198 CA ARG A 15 6.708 -14.194 -4.100 1.00 0.00 C ATOM 199 C ARG A 15 6.915 -12.752 -3.662 1.00 0.00 C ATOM 200 O ARG A 15 6.288 -11.833 -4.182 1.00 0.00 O ATOM 201 CB ARG A 15 7.182 -14.478 -5.532 1.00 0.00 C ATOM 202 CG ARG A 15 8.586 -13.942 -5.835 1.00 0.00 C ATOM 203 CD ARG A 15 9.598 -14.487 -4.820 1.00 0.00 C ATOM 204 NE ARG A 15 10.995 -14.295 -5.223 1.00 0.00 N ATOM 205 CZ ARG A 15 12.019 -14.829 -4.546 1.00 0.00 C ATOM 206 NH1 ARG A 15 11.814 -15.512 -3.430 1.00 0.00 N ATOM 207 NH2 ARG A 15 13.261 -14.686 -4.975 1.00 0.00 N ATOM 0 H ARG A 15 4.710 -13.935 -4.609 1.00 0.00 H new ATOM 0 HA ARG A 15 7.306 -14.790 -3.410 1.00 0.00 H new ATOM 0 HB2 ARG A 15 7.169 -15.555 -5.703 1.00 0.00 H new ATOM 0 HB3 ARG A 15 6.475 -14.036 -6.234 1.00 0.00 H new ATOM 0 HG2 ARG A 15 8.882 -14.230 -6.844 1.00 0.00 H new ATOM 0 HG3 ARG A 15 8.581 -12.852 -5.803 1.00 0.00 H new ATOM 0 HD2 ARG A 15 9.435 -13.999 -3.859 1.00 0.00 H new ATOM 0 HD3 ARG A 15 9.414 -15.551 -4.672 1.00 0.00 H new ATOM 0 HE ARG A 15 11.194 -13.733 -6.051 1.00 0.00 H new ATOM 0 HH11 ARG A 15 10.866 -15.637 -3.075 1.00 0.00 H new ATOM 0 HH12 ARG A 15 12.604 -15.913 -2.925 1.00 0.00 H new ATOM 0 HH21 ARG A 15 13.448 -14.164 -5.831 1.00 0.00 H new ATOM 0 HH22 ARG A 15 14.032 -15.098 -4.450 1.00 0.00 H new ATOM 221 N GLU A 16 7.845 -12.587 -2.728 1.00 0.00 N ATOM 222 CA GLU A 16 8.206 -11.346 -2.073 1.00 0.00 C ATOM 223 C GLU A 16 8.851 -10.302 -2.989 1.00 0.00 C ATOM 224 O GLU A 16 9.162 -10.565 -4.152 1.00 0.00 O ATOM 225 CB GLU A 16 9.100 -11.698 -0.873 1.00 0.00 C ATOM 226 CG GLU A 16 10.578 -11.995 -1.166 1.00 0.00 C ATOM 227 CD GLU A 16 10.936 -13.481 -1.198 1.00 0.00 C ATOM 228 OE1 GLU A 16 10.101 -14.341 -1.567 1.00 0.00 O ATOM 229 OE2 GLU A 16 12.095 -13.785 -0.843 1.00 0.00 O ATOM 0 H GLU A 16 8.401 -13.372 -2.389 1.00 0.00 H new ATOM 0 HA GLU A 16 7.290 -10.855 -1.745 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.055 -10.872 -0.164 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.672 -12.569 -0.376 1.00 0.00 H new ATOM 0 HG2 GLU A 16 10.840 -11.551 -2.126 1.00 0.00 H new ATOM 0 HG3 GLU A 16 11.190 -11.504 -0.410 1.00 0.00 H new ATOM 236 N VAL A 17 9.076 -9.109 -2.435 1.00 0.00 N ATOM 237 CA VAL A 17 9.480 -7.911 -3.160 1.00 0.00 C ATOM 238 C VAL A 17 10.355 -7.034 -2.269 1.00 0.00 C ATOM 239 O VAL A 17 10.389 -7.215 -1.046 1.00 0.00 O ATOM 240 CB VAL A 17 8.201 -7.210 -3.667 1.00 0.00 C ATOM 241 CG1 VAL A 17 7.159 -6.966 -2.566 1.00 0.00 C ATOM 242 CG2 VAL A 17 8.434 -5.882 -4.402 1.00 0.00 C ATOM 0 H VAL A 17 8.977 -8.949 -1.433 1.00 0.00 H new ATOM 0 HA VAL A 17 10.094 -8.149 -4.029 1.00 0.00 H new ATOM 0 HB VAL A 17 7.818 -7.934 -4.387 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.287 -6.471 -2.993 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.858 -7.920 -2.132 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.591 -6.334 -1.790 1.00 0.00 H new ATOM 0 HG21 VAL A 17 7.476 -5.468 -4.718 1.00 0.00 H new ATOM 0 HG22 VAL A 17 8.930 -5.178 -3.734 1.00 0.00 H new ATOM 0 HG23 VAL A 17 9.061 -6.055 -5.277 1.00 0.00 H new ATOM 252 N ASP A 18 11.090 -6.103 -2.882 1.00 0.00 N ATOM 253 CA ASP A 18 11.948 -5.137 -2.220 1.00 0.00 C ATOM 254 C ASP A 18 11.037 -4.076 -1.618 1.00 0.00 C ATOM 255 O ASP A 18 10.762 -3.052 -2.240 1.00 0.00 O ATOM 256 CB ASP A 18 12.907 -4.470 -3.219 1.00 0.00 C ATOM 257 CG ASP A 18 13.828 -5.442 -3.936 1.00 0.00 C ATOM 258 OD1 ASP A 18 13.340 -6.195 -4.812 1.00 0.00 O ATOM 259 OD2 ASP A 18 15.045 -5.439 -3.652 1.00 0.00 O ATOM 0 H ASP A 18 11.099 -6.004 -3.897 1.00 0.00 H new ATOM 0 HA ASP A 18 12.552 -5.634 -1.461 1.00 0.00 H new ATOM 0 HB2 ASP A 18 12.322 -3.926 -3.960 1.00 0.00 H new ATOM 0 HB3 ASP A 18 13.513 -3.735 -2.689 1.00 0.00 H new ATOM 264 N THR A 19 10.562 -4.281 -0.394 1.00 0.00 N ATOM 265 CA THR A 19 9.595 -3.357 0.184 1.00 0.00 C ATOM 266 C THR A 19 10.180 -1.960 0.422 1.00 0.00 C ATOM 267 O THR A 19 9.417 -1.002 0.499 1.00 0.00 O ATOM 268 CB THR A 19 9.023 -3.947 1.475 1.00 0.00 C ATOM 269 OG1 THR A 19 10.047 -4.412 2.334 1.00 0.00 O ATOM 270 CG2 THR A 19 8.075 -5.113 1.192 1.00 0.00 C ATOM 0 H THR A 19 10.825 -5.063 0.206 1.00 0.00 H new ATOM 0 HA THR A 19 8.789 -3.227 -0.539 1.00 0.00 H new ATOM 0 HB THR A 19 8.476 -3.138 1.959 1.00 0.00 H new ATOM 0 HG1 THR A 19 9.691 -4.516 3.241 1.00 0.00 H new ATOM 0 HG21 THR A 19 7.689 -5.505 2.133 1.00 0.00 H new ATOM 0 HG22 THR A 19 7.245 -4.766 0.576 1.00 0.00 H new ATOM 0 HG23 THR A 19 8.614 -5.900 0.664 1.00 0.00 H new ATOM 278 N LEU A 20 11.505 -1.827 0.537 1.00 0.00 N ATOM 279 CA LEU A 20 12.201 -0.559 0.650 1.00 0.00 C ATOM 280 C LEU A 20 12.117 0.154 -0.697 1.00 0.00 C ATOM 281 O LEU A 20 11.499 1.217 -0.780 1.00 0.00 O ATOM 282 CB LEU A 20 13.655 -0.811 1.085 1.00 0.00 C ATOM 283 CG LEU A 20 13.928 -0.864 2.601 1.00 0.00 C ATOM 284 CD1 LEU A 20 13.723 0.499 3.279 1.00 0.00 C ATOM 285 CD2 LEU A 20 13.113 -1.952 3.315 1.00 0.00 C ATOM 0 H LEU A 20 12.135 -2.629 0.554 1.00 0.00 H new ATOM 0 HA LEU A 20 11.743 0.078 1.407 1.00 0.00 H new ATOM 0 HB2 LEU A 20 13.982 -1.755 0.648 1.00 0.00 H new ATOM 0 HB3 LEU A 20 14.279 -0.028 0.655 1.00 0.00 H new ATOM 0 HG LEU A 20 14.980 -1.131 2.698 1.00 0.00 H new ATOM 0 HD11 LEU A 20 13.927 0.409 4.346 1.00 0.00 H new ATOM 0 HD12 LEU A 20 14.402 1.230 2.840 1.00 0.00 H new ATOM 0 HD13 LEU A 20 12.694 0.827 3.133 1.00 0.00 H new ATOM 0 HD21 LEU A 20 13.347 -1.942 4.380 1.00 0.00 H new ATOM 0 HD22 LEU A 20 12.049 -1.760 3.175 1.00 0.00 H new ATOM 0 HD23 LEU A 20 13.364 -2.927 2.898 1.00 0.00 H new ATOM 297 N GLU A 21 12.713 -0.438 -1.732 1.00 0.00 N ATOM 298 CA GLU A 21 12.794 0.106 -3.084 1.00 0.00 C ATOM 299 C GLU A 21 11.408 0.373 -3.679 1.00 0.00 C ATOM 300 O GLU A 21 11.230 1.360 -4.381 1.00 0.00 O ATOM 301 CB GLU A 21 13.629 -0.837 -3.971 1.00 0.00 C ATOM 302 CG GLU A 21 14.837 -0.124 -4.588 1.00 0.00 C ATOM 303 CD GLU A 21 14.450 0.841 -5.709 1.00 0.00 C ATOM 304 OE1 GLU A 21 14.027 0.364 -6.791 1.00 0.00 O ATOM 305 OE2 GLU A 21 14.643 2.064 -5.505 1.00 0.00 O ATOM 0 H GLU A 21 13.170 -1.346 -1.646 1.00 0.00 H new ATOM 0 HA GLU A 21 13.293 1.074 -3.039 1.00 0.00 H new ATOM 0 HB2 GLU A 21 13.972 -1.684 -3.377 1.00 0.00 H new ATOM 0 HB3 GLU A 21 13.000 -1.239 -4.766 1.00 0.00 H new ATOM 0 HG2 GLU A 21 15.365 0.425 -3.809 1.00 0.00 H new ATOM 0 HG3 GLU A 21 15.531 -0.868 -4.979 1.00 0.00 H new ATOM 312 N LEU A 22 10.395 -0.421 -3.322 1.00 0.00 N ATOM 313 CA LEU A 22 9.002 -0.134 -3.645 1.00 0.00 C ATOM 314 C LEU A 22 8.637 1.280 -3.184 1.00 0.00 C ATOM 315 O LEU A 22 8.165 2.088 -3.979 1.00 0.00 O ATOM 316 CB LEU A 22 8.101 -1.213 -3.017 1.00 0.00 C ATOM 317 CG LEU A 22 6.630 -0.789 -2.821 1.00 0.00 C ATOM 318 CD1 LEU A 22 5.912 -0.564 -4.143 1.00 0.00 C ATOM 319 CD2 LEU A 22 5.915 -1.863 -2.012 1.00 0.00 C ATOM 0 H LEU A 22 10.523 -1.286 -2.797 1.00 0.00 H new ATOM 0 HA LEU A 22 8.849 -0.164 -4.724 1.00 0.00 H new ATOM 0 HB2 LEU A 22 8.128 -2.102 -3.647 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.516 -1.496 -2.049 1.00 0.00 H new ATOM 0 HG LEU A 22 6.617 0.162 -2.289 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.881 -0.267 -3.951 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.418 0.223 -4.702 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.922 -1.486 -4.724 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.874 -1.576 -1.866 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.958 -2.811 -2.548 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.401 -1.972 -1.042 1.00 0.00 H new ATOM 331 N THR A 23 8.829 1.599 -1.899 1.00 0.00 N ATOM 332 CA THR A 23 8.439 2.917 -1.396 1.00 0.00 C ATOM 333 C THR A 23 9.252 4.011 -2.082 1.00 0.00 C ATOM 334 O THR A 23 8.734 5.097 -2.337 1.00 0.00 O ATOM 335 CB THR A 23 8.552 3.014 0.130 1.00 0.00 C ATOM 336 OG1 THR A 23 9.876 2.897 0.611 1.00 0.00 O ATOM 337 CG2 THR A 23 7.680 1.957 0.800 1.00 0.00 C ATOM 0 H THR A 23 9.242 0.978 -1.204 1.00 0.00 H new ATOM 0 HA THR A 23 7.387 3.062 -1.640 1.00 0.00 H new ATOM 0 HB THR A 23 8.205 4.015 0.387 1.00 0.00 H new ATOM 0 HG1 THR A 23 10.366 2.247 0.065 1.00 0.00 H new ATOM 0 HG21 THR A 23 7.773 2.041 1.883 1.00 0.00 H new ATOM 0 HG22 THR A 23 6.640 2.108 0.512 1.00 0.00 H new ATOM 0 HG23 THR A 23 8.003 0.965 0.484 1.00 0.00 H new ATOM 345 N ARG A 24 10.519 3.723 -2.384 1.00 0.00 N ATOM 346 CA ARG A 24 11.377 4.618 -3.151 1.00 0.00 C ATOM 347 C ARG A 24 10.747 4.937 -4.498 1.00 0.00 C ATOM 348 O ARG A 24 10.435 6.100 -4.736 1.00 0.00 O ATOM 349 CB ARG A 24 12.786 4.064 -3.298 1.00 0.00 C ATOM 350 CG ARG A 24 13.503 4.097 -1.936 1.00 0.00 C ATOM 351 CD ARG A 24 14.995 4.254 -2.168 1.00 0.00 C ATOM 352 NE ARG A 24 15.357 5.626 -2.571 1.00 0.00 N ATOM 353 CZ ARG A 24 16.456 6.311 -2.240 1.00 0.00 C ATOM 354 NH1 ARG A 24 17.261 5.893 -1.265 1.00 0.00 N ATOM 355 NH2 ARG A 24 16.733 7.445 -2.875 1.00 0.00 N ATOM 0 H ARG A 24 10.978 2.857 -2.101 1.00 0.00 H new ATOM 0 HA ARG A 24 11.470 5.552 -2.597 1.00 0.00 H new ATOM 0 HB2 ARG A 24 12.747 3.042 -3.675 1.00 0.00 H new ATOM 0 HB3 ARG A 24 13.344 4.652 -4.027 1.00 0.00 H new ATOM 0 HG2 ARG A 24 13.127 4.923 -1.332 1.00 0.00 H new ATOM 0 HG3 ARG A 24 13.302 3.180 -1.382 1.00 0.00 H new ATOM 0 HD2 ARG A 24 15.532 3.992 -1.256 1.00 0.00 H new ATOM 0 HD3 ARG A 24 15.316 3.554 -2.940 1.00 0.00 H new ATOM 0 HE ARG A 24 14.690 6.109 -3.173 1.00 0.00 H new ATOM 0 HH11 ARG A 24 17.043 5.036 -0.756 1.00 0.00 H new ATOM 0 HH12 ARG A 24 18.095 6.430 -1.027 1.00 0.00 H new ATOM 0 HH21 ARG A 24 16.110 7.785 -3.607 1.00 0.00 H new ATOM 0 HH22 ARG A 24 17.569 7.976 -2.630 1.00 0.00 H new ATOM 369 N GLN A 25 10.509 3.929 -5.336 1.00 0.00 N ATOM 370 CA GLN A 25 9.969 4.079 -6.681 1.00 0.00 C ATOM 371 C GLN A 25 8.628 4.805 -6.646 1.00 0.00 C ATOM 372 O GLN A 25 8.385 5.658 -7.501 1.00 0.00 O ATOM 373 CB GLN A 25 9.848 2.692 -7.330 1.00 0.00 C ATOM 374 CG GLN A 25 11.205 2.169 -7.814 1.00 0.00 C ATOM 375 CD GLN A 25 11.653 2.832 -9.119 1.00 0.00 C ATOM 376 OE1 GLN A 25 10.941 2.849 -10.119 1.00 0.00 O ATOM 377 NE2 GLN A 25 12.848 3.397 -9.157 1.00 0.00 N ATOM 0 H GLN A 25 10.693 2.957 -5.087 1.00 0.00 H new ATOM 0 HA GLN A 25 10.644 4.688 -7.283 1.00 0.00 H new ATOM 0 HB2 GLN A 25 9.423 1.991 -6.612 1.00 0.00 H new ATOM 0 HB3 GLN A 25 9.157 2.744 -8.172 1.00 0.00 H new ATOM 0 HG2 GLN A 25 11.955 2.346 -7.043 1.00 0.00 H new ATOM 0 HG3 GLN A 25 11.145 1.090 -7.959 1.00 0.00 H new ATOM 0 HE21 GLN A 25 13.444 3.386 -8.329 1.00 0.00 H new ATOM 0 HE22 GLN A 25 13.174 3.844 -10.014 1.00 0.00 H new ATOM 386 N VAL A 26 7.791 4.511 -5.646 1.00 0.00 N ATOM 387 CA VAL A 26 6.561 5.231 -5.344 1.00 0.00 C ATOM 388 C VAL A 26 6.864 6.727 -5.178 1.00 0.00 C ATOM 389 O VAL A 26 6.360 7.542 -5.949 1.00 0.00 O ATOM 390 CB VAL A 26 5.895 4.572 -4.113 1.00 0.00 C ATOM 391 CG1 VAL A 26 4.893 5.468 -3.384 1.00 0.00 C ATOM 392 CG2 VAL A 26 5.201 3.268 -4.518 1.00 0.00 C ATOM 0 H VAL A 26 7.962 3.736 -5.005 1.00 0.00 H new ATOM 0 HA VAL A 26 5.843 5.167 -6.162 1.00 0.00 H new ATOM 0 HB VAL A 26 6.708 4.379 -3.413 1.00 0.00 H new ATOM 0 HG11 VAL A 26 4.473 4.929 -2.535 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.399 6.366 -3.030 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.092 5.749 -4.067 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.737 2.815 -3.642 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.436 3.480 -5.265 1.00 0.00 H new ATOM 0 HG23 VAL A 26 5.935 2.579 -4.936 1.00 0.00 H new ATOM 402 N LYS A 27 7.688 7.117 -4.200 1.00 0.00 N ATOM 403 CA LYS A 27 7.983 8.522 -3.910 1.00 0.00 C ATOM 404 C LYS A 27 8.621 9.227 -5.110 1.00 0.00 C ATOM 405 O LYS A 27 8.349 10.415 -5.325 1.00 0.00 O ATOM 406 CB LYS A 27 8.867 8.598 -2.655 1.00 0.00 C ATOM 407 CG LYS A 27 8.062 8.193 -1.407 1.00 0.00 C ATOM 408 CD LYS A 27 8.895 8.076 -0.127 1.00 0.00 C ATOM 409 CE LYS A 27 9.880 6.897 -0.137 1.00 0.00 C ATOM 410 NZ LYS A 27 10.450 6.629 1.199 1.00 0.00 N ATOM 0 H LYS A 27 8.171 6.463 -3.585 1.00 0.00 H new ATOM 0 HA LYS A 27 7.051 9.052 -3.715 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.729 7.940 -2.769 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.252 9.610 -2.534 1.00 0.00 H new ATOM 0 HG2 LYS A 27 7.272 8.926 -1.246 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.576 7.236 -1.598 1.00 0.00 H new ATOM 0 HD2 LYS A 27 9.452 9.002 0.020 1.00 0.00 H new ATOM 0 HD3 LYS A 27 8.223 7.970 0.725 1.00 0.00 H new ATOM 0 HE2 LYS A 27 9.370 6.004 -0.497 1.00 0.00 H new ATOM 0 HE3 LYS A 27 10.688 7.108 -0.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 11.310 6.053 1.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 10.688 7.529 1.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 9.754 6.116 1.777 1.00 0.00 H new ATOM 424 N GLU A 28 9.427 8.515 -5.893 1.00 0.00 N ATOM 425 CA GLU A 28 10.006 8.949 -7.158 1.00 0.00 C ATOM 426 C GLU A 28 8.870 9.303 -8.136 1.00 0.00 C ATOM 427 O GLU A 28 8.717 10.463 -8.520 1.00 0.00 O ATOM 428 CB GLU A 28 10.971 7.837 -7.649 1.00 0.00 C ATOM 429 CG GLU A 28 12.349 8.330 -8.127 1.00 0.00 C ATOM 430 CD GLU A 28 12.465 8.431 -9.646 1.00 0.00 C ATOM 431 OE1 GLU A 28 11.500 8.893 -10.290 1.00 0.00 O ATOM 432 OE2 GLU A 28 13.529 8.054 -10.203 1.00 0.00 O ATOM 0 H GLU A 28 9.709 7.566 -5.646 1.00 0.00 H new ATOM 0 HA GLU A 28 10.600 9.858 -7.062 1.00 0.00 H new ATOM 0 HB2 GLU A 28 11.119 7.123 -6.839 1.00 0.00 H new ATOM 0 HB3 GLU A 28 10.492 7.297 -8.466 1.00 0.00 H new ATOM 0 HG2 GLU A 28 12.548 9.308 -7.689 1.00 0.00 H new ATOM 0 HG3 GLU A 28 13.118 7.652 -7.756 1.00 0.00 H new ATOM 439 N LYS A 29 8.006 8.335 -8.464 1.00 0.00 N ATOM 440 CA LYS A 29 6.890 8.491 -9.404 1.00 0.00 C ATOM 441 C LYS A 29 5.934 9.601 -8.979 1.00 0.00 C ATOM 442 O LYS A 29 5.456 10.371 -9.815 1.00 0.00 O ATOM 443 CB LYS A 29 6.162 7.160 -9.566 1.00 0.00 C ATOM 444 CG LYS A 29 5.220 7.203 -10.782 1.00 0.00 C ATOM 445 CD LYS A 29 5.076 5.831 -11.424 1.00 0.00 C ATOM 446 CE LYS A 29 6.245 5.508 -12.358 1.00 0.00 C ATOM 447 NZ LYS A 29 5.951 4.383 -13.271 1.00 0.00 N ATOM 0 H LYS A 29 8.066 7.395 -8.072 1.00 0.00 H new ATOM 0 HA LYS A 29 7.298 8.789 -10.370 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.887 6.355 -9.689 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.591 6.939 -8.664 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.240 7.565 -10.472 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.604 7.911 -11.516 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.014 5.071 -10.645 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.142 5.790 -11.985 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.491 6.393 -12.945 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.125 5.267 -11.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.783 3.762 -13.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.142 3.841 -12.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.721 4.753 -14.215 1.00 0.00 H new ATOM 461 N LEU A 30 5.625 9.673 -7.685 1.00 0.00 N ATOM 462 CA LEU A 30 4.728 10.671 -7.120 1.00 0.00 C ATOM 463 C LEU A 30 5.302 12.061 -7.341 1.00 0.00 C ATOM 464 O LEU A 30 4.588 12.936 -7.825 1.00 0.00 O ATOM 465 CB LEU A 30 4.512 10.412 -5.622 1.00 0.00 C ATOM 466 CG LEU A 30 3.578 9.226 -5.331 1.00 0.00 C ATOM 467 CD1 LEU A 30 3.667 8.870 -3.845 1.00 0.00 C ATOM 468 CD2 LEU A 30 2.123 9.559 -5.678 1.00 0.00 C ATOM 0 H LEU A 30 5.999 9.026 -6.991 1.00 0.00 H new ATOM 0 HA LEU A 30 3.762 10.603 -7.621 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.477 10.228 -5.151 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.099 11.310 -5.162 1.00 0.00 H new ATOM 0 HG LEU A 30 3.894 8.385 -5.948 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.007 8.029 -3.632 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.693 8.598 -3.597 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.365 9.729 -3.246 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.491 8.698 -5.460 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.793 10.411 -5.084 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.049 9.805 -6.737 1.00 0.00 H new ATOM 480 N ALA A 31 6.584 12.258 -7.010 1.00 0.00 N ATOM 481 CA ALA A 31 7.265 13.534 -7.200 1.00 0.00 C ATOM 482 C ALA A 31 7.277 13.936 -8.678 1.00 0.00 C ATOM 483 O ALA A 31 6.982 15.090 -8.987 1.00 0.00 O ATOM 484 CB ALA A 31 8.687 13.463 -6.632 1.00 0.00 C ATOM 0 H ALA A 31 7.175 11.533 -6.603 1.00 0.00 H new ATOM 0 HA ALA A 31 6.717 14.304 -6.657 1.00 0.00 H new ATOM 0 HB1 ALA A 31 9.186 14.421 -6.779 1.00 0.00 H new ATOM 0 HB2 ALA A 31 8.642 13.237 -5.567 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.245 12.680 -7.146 1.00 0.00 H new ATOM 490 N LYS A 32 7.546 12.990 -9.590 1.00 0.00 N ATOM 491 CA LYS A 32 7.540 13.235 -11.032 1.00 0.00 C ATOM 492 C LYS A 32 6.214 13.831 -11.502 1.00 0.00 C ATOM 493 O LYS A 32 6.205 14.628 -12.438 1.00 0.00 O ATOM 494 CB LYS A 32 7.834 11.922 -11.777 1.00 0.00 C ATOM 495 CG LYS A 32 8.260 12.185 -13.228 1.00 0.00 C ATOM 496 CD LYS A 32 8.459 10.876 -14.004 1.00 0.00 C ATOM 497 CE LYS A 32 9.508 11.013 -15.114 1.00 0.00 C ATOM 498 NZ LYS A 32 9.081 11.850 -16.252 1.00 0.00 N ATOM 0 H LYS A 32 7.775 12.028 -9.341 1.00 0.00 H new ATOM 0 HA LYS A 32 8.318 13.965 -11.256 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.622 11.376 -11.258 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.947 11.289 -11.766 1.00 0.00 H new ATOM 0 HG2 LYS A 32 7.504 12.792 -13.725 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.187 12.759 -13.238 1.00 0.00 H new ATOM 0 HD2 LYS A 32 8.764 10.089 -13.314 1.00 0.00 H new ATOM 0 HD3 LYS A 32 7.509 10.567 -14.440 1.00 0.00 H new ATOM 0 HE2 LYS A 32 10.418 11.436 -14.688 1.00 0.00 H new ATOM 0 HE3 LYS A 32 9.761 10.019 -15.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 9.844 11.892 -16.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.231 11.438 -16.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 8.867 12.810 -15.915 1.00 0.00 H new ATOM 512 N ASN A 33 5.097 13.450 -10.882 1.00 0.00 N ATOM 513 CA ASN A 33 3.764 13.901 -11.263 1.00 0.00 C ATOM 514 C ASN A 33 3.213 14.974 -10.328 1.00 0.00 C ATOM 515 O ASN A 33 2.049 15.348 -10.479 1.00 0.00 O ATOM 516 CB ASN A 33 2.833 12.687 -11.301 1.00 0.00 C ATOM 517 CG ASN A 33 3.126 11.768 -12.470 1.00 0.00 C ATOM 518 OD1 ASN A 33 4.086 11.921 -13.221 1.00 0.00 O ATOM 519 ND2 ASN A 33 2.291 10.764 -12.652 1.00 0.00 N ATOM 0 H ASN A 33 5.096 12.809 -10.089 1.00 0.00 H new ATOM 0 HA ASN A 33 3.828 14.364 -12.248 1.00 0.00 H new ATOM 0 HB2 ASN A 33 2.931 12.128 -10.370 1.00 0.00 H new ATOM 0 HB3 ASN A 33 1.799 13.028 -11.361 1.00 0.00 H new ATOM 0 HD21 ASN A 33 2.440 10.109 -13.420 1.00 0.00 H new ATOM 0 HD22 ASN A 33 1.496 10.642 -12.025 1.00 0.00 H new ATOM 526 N GLY A 34 4.002 15.447 -9.360 1.00 0.00 N ATOM 527 CA GLY A 34 3.598 16.491 -8.431 1.00 0.00 C ATOM 528 C GLY A 34 2.527 16.048 -7.430 1.00 0.00 C ATOM 529 O GLY A 34 1.839 16.909 -6.877 1.00 0.00 O ATOM 0 H GLY A 34 4.951 15.107 -9.202 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.475 16.835 -7.882 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.222 17.343 -8.998 1.00 0.00 H new ATOM 533 N ILE A 35 2.351 14.747 -7.186 1.00 0.00 N ATOM 534 CA ILE A 35 1.262 14.222 -6.363 1.00 0.00 C ATOM 535 C ILE A 35 1.699 14.192 -4.897 1.00 0.00 C ATOM 536 O ILE A 35 2.698 13.558 -4.550 1.00 0.00 O ATOM 537 CB ILE A 35 0.811 12.838 -6.876 1.00 0.00 C ATOM 538 CG1 ILE A 35 0.279 12.995 -8.318 1.00 0.00 C ATOM 539 CG2 ILE A 35 -0.279 12.236 -5.962 1.00 0.00 C ATOM 540 CD1 ILE A 35 -0.148 11.682 -8.967 1.00 0.00 C ATOM 0 H ILE A 35 2.966 14.023 -7.558 1.00 0.00 H new ATOM 0 HA ILE A 35 0.394 14.877 -6.437 1.00 0.00 H new ATOM 0 HB ILE A 35 1.661 12.155 -6.866 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.571 13.677 -8.309 1.00 0.00 H new ATOM 0 HG13 ILE A 35 1.052 13.457 -8.932 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.579 11.261 -6.347 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.115 12.122 -4.952 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.144 12.899 -5.942 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.509 11.876 -9.977 1.00 0.00 H new ATOM 0 HD12 ILE A 35 0.704 11.004 -9.010 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.944 11.227 -8.378 1.00 0.00 H new ATOM 552 N CYS A 36 0.915 14.837 -4.028 1.00 0.00 N ATOM 553 CA CYS A 36 1.063 14.762 -2.581 1.00 0.00 C ATOM 554 C CYS A 36 0.875 13.307 -2.128 1.00 0.00 C ATOM 555 O CYS A 36 -0.207 12.742 -2.316 1.00 0.00 O ATOM 556 CB CYS A 36 0.014 15.652 -1.892 1.00 0.00 C ATOM 557 SG CYS A 36 -0.252 17.225 -2.752 1.00 0.00 S ATOM 0 H CYS A 36 0.145 15.437 -4.323 1.00 0.00 H new ATOM 0 HA CYS A 36 2.058 15.111 -2.306 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -0.931 15.112 -1.833 1.00 0.00 H new ATOM 0 HB3 CYS A 36 0.331 15.852 -0.869 1.00 0.00 H new ATOM 0 HG CYS A 36 -1.148 17.920 -2.117 1.00 0.00 H new ATOM 563 N GLN A 37 1.886 12.695 -1.504 1.00 0.00 N ATOM 564 CA GLN A 37 1.853 11.279 -1.124 1.00 0.00 C ATOM 565 C GLN A 37 0.690 10.956 -0.173 1.00 0.00 C ATOM 566 O GLN A 37 0.118 9.866 -0.231 1.00 0.00 O ATOM 567 CB GLN A 37 3.183 10.824 -0.497 1.00 0.00 C ATOM 568 CG GLN A 37 4.448 11.279 -1.243 1.00 0.00 C ATOM 569 CD GLN A 37 4.987 12.581 -0.670 1.00 0.00 C ATOM 570 OE1 GLN A 37 4.588 13.669 -1.079 1.00 0.00 O ATOM 571 NE2 GLN A 37 5.866 12.493 0.312 1.00 0.00 N ATOM 0 H GLN A 37 2.752 13.168 -1.248 1.00 0.00 H new ATOM 0 HA GLN A 37 1.696 10.724 -2.049 1.00 0.00 H new ATOM 0 HB2 GLN A 37 3.230 11.197 0.526 1.00 0.00 H new ATOM 0 HB3 GLN A 37 3.186 9.735 -0.440 1.00 0.00 H new ATOM 0 HG2 GLN A 37 5.212 10.505 -1.174 1.00 0.00 H new ATOM 0 HG3 GLN A 37 4.222 11.411 -2.301 1.00 0.00 H new ATOM 0 HE21 GLN A 37 6.182 11.578 0.634 1.00 0.00 H new ATOM 0 HE22 GLN A 37 6.229 13.340 0.749 1.00 0.00 H new ATOM 580 N ARG A 38 0.301 11.919 0.665 1.00 0.00 N ATOM 581 CA ARG A 38 -0.910 11.871 1.482 1.00 0.00 C ATOM 582 C ARG A 38 -2.139 11.506 0.643 1.00 0.00 C ATOM 583 O ARG A 38 -2.800 10.514 0.924 1.00 0.00 O ATOM 584 CB ARG A 38 -1.104 13.196 2.251 1.00 0.00 C ATOM 585 CG ARG A 38 -0.601 14.466 1.544 1.00 0.00 C ATOM 586 CD ARG A 38 -1.073 15.744 2.241 1.00 0.00 C ATOM 587 NE ARG A 38 -2.478 16.022 1.923 1.00 0.00 N ATOM 588 CZ ARG A 38 -3.099 17.206 1.918 1.00 0.00 C ATOM 589 NH1 ARG A 38 -2.465 18.331 2.245 1.00 0.00 N ATOM 590 NH2 ARG A 38 -4.373 17.214 1.558 1.00 0.00 N ATOM 0 H ARG A 38 0.836 12.777 0.797 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.790 11.079 2.221 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -2.166 13.318 2.462 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.596 13.113 3.212 1.00 0.00 H new ATOM 0 HG2 ARG A 38 0.488 14.454 1.511 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -0.951 14.467 0.512 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -0.953 15.641 3.319 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -0.452 16.584 1.930 1.00 0.00 H new ATOM 0 HE ARG A 38 -3.050 15.215 1.676 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -1.480 18.303 2.508 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -2.965 19.220 2.232 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -4.836 16.342 1.301 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -4.892 18.092 1.538 1.00 0.00 H new ATOM 604 N ILE A 39 -2.421 12.280 -0.404 1.00 0.00 N ATOM 605 CA ILE A 39 -3.611 12.147 -1.245 1.00 0.00 C ATOM 606 C ILE A 39 -3.533 10.846 -2.045 1.00 0.00 C ATOM 607 O ILE A 39 -4.557 10.209 -2.295 1.00 0.00 O ATOM 608 CB ILE A 39 -3.699 13.371 -2.180 1.00 0.00 C ATOM 609 CG1 ILE A 39 -3.921 14.657 -1.359 1.00 0.00 C ATOM 610 CG2 ILE A 39 -4.770 13.189 -3.276 1.00 0.00 C ATOM 611 CD1 ILE A 39 -3.832 15.922 -2.210 1.00 0.00 C ATOM 0 H ILE A 39 -1.809 13.041 -0.700 1.00 0.00 H new ATOM 0 HA ILE A 39 -4.509 12.110 -0.628 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.747 13.465 -2.702 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.900 14.614 -0.881 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.179 14.707 -0.562 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.796 14.075 -3.910 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -4.526 12.316 -3.882 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -5.746 13.047 -2.811 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.996 16.796 -1.580 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.844 15.984 -2.667 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.592 15.889 -2.991 1.00 0.00 H new ATOM 623 N PHE A 40 -2.329 10.461 -2.475 1.00 0.00 N ATOM 624 CA PHE A 40 -2.121 9.150 -3.076 1.00 0.00 C ATOM 625 C PHE A 40 -2.676 8.066 -2.156 1.00 0.00 C ATOM 626 O PHE A 40 -3.572 7.322 -2.553 1.00 0.00 O ATOM 627 CB PHE A 40 -0.640 8.920 -3.387 1.00 0.00 C ATOM 628 CG PHE A 40 -0.262 7.452 -3.507 1.00 0.00 C ATOM 629 CD1 PHE A 40 -0.792 6.649 -4.536 1.00 0.00 C ATOM 630 CD2 PHE A 40 0.544 6.864 -2.513 1.00 0.00 C ATOM 631 CE1 PHE A 40 -0.525 5.268 -4.561 1.00 0.00 C ATOM 632 CE2 PHE A 40 0.827 5.490 -2.548 1.00 0.00 C ATOM 633 CZ PHE A 40 0.286 4.689 -3.567 1.00 0.00 C ATOM 0 H PHE A 40 -1.490 11.038 -2.417 1.00 0.00 H new ATOM 0 HA PHE A 40 -2.659 9.104 -4.023 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -0.390 9.428 -4.319 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -0.038 9.378 -2.603 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -1.404 7.094 -5.307 1.00 0.00 H new ATOM 0 HD2 PHE A 40 0.947 7.475 -1.719 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -0.943 4.652 -5.343 1.00 0.00 H new ATOM 0 HE2 PHE A 40 1.460 5.049 -1.792 1.00 0.00 H new ATOM 0 HZ PHE A 40 0.492 3.629 -3.588 1.00 0.00 H new ATOM 643 N GLY A 41 -2.128 7.974 -0.944 1.00 0.00 N ATOM 644 CA GLY A 41 -2.456 6.897 -0.033 1.00 0.00 C ATOM 645 C GLY A 41 -3.913 6.904 0.393 1.00 0.00 C ATOM 646 O GLY A 41 -4.530 5.848 0.474 1.00 0.00 O ATOM 0 H GLY A 41 -1.451 8.642 -0.576 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.227 5.943 -0.509 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.824 6.972 0.852 1.00 0.00 H new ATOM 650 N GLU A 42 -4.473 8.080 0.620 1.00 0.00 N ATOM 651 CA GLU A 42 -5.859 8.316 0.856 1.00 0.00 C ATOM 652 C GLU A 42 -6.700 7.737 -0.288 1.00 0.00 C ATOM 653 O GLU A 42 -7.399 6.742 -0.110 1.00 0.00 O ATOM 654 CB GLU A 42 -5.880 9.842 0.992 1.00 0.00 C ATOM 655 CG GLU A 42 -7.261 10.355 1.264 1.00 0.00 C ATOM 656 CD GLU A 42 -7.211 11.669 2.032 1.00 0.00 C ATOM 657 OE1 GLU A 42 -6.745 12.679 1.461 1.00 0.00 O ATOM 658 OE2 GLU A 42 -7.596 11.675 3.227 1.00 0.00 O ATOM 0 H GLU A 42 -3.924 8.939 0.643 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.295 7.834 1.731 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.214 10.145 1.800 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.497 10.294 0.077 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -7.792 10.499 0.323 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.822 9.616 1.836 1.00 0.00 H new ATOM 665 N LYS A 43 -6.605 8.317 -1.485 1.00 0.00 N ATOM 666 CA LYS A 43 -7.515 7.988 -2.576 1.00 0.00 C ATOM 667 C LYS A 43 -7.282 6.583 -3.111 1.00 0.00 C ATOM 668 O LYS A 43 -8.242 5.834 -3.306 1.00 0.00 O ATOM 669 CB LYS A 43 -7.389 9.046 -3.677 1.00 0.00 C ATOM 670 CG LYS A 43 -7.897 10.410 -3.181 1.00 0.00 C ATOM 671 CD LYS A 43 -8.574 11.190 -4.303 1.00 0.00 C ATOM 672 CE LYS A 43 -7.608 11.660 -5.392 1.00 0.00 C ATOM 673 NZ LYS A 43 -8.216 12.694 -6.254 1.00 0.00 N ATOM 0 H LYS A 43 -5.904 9.019 -1.721 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.536 7.997 -2.193 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.348 9.132 -3.989 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.959 8.736 -4.553 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -8.601 10.262 -2.362 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -7.063 10.989 -2.784 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -9.343 10.564 -4.756 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -9.079 12.057 -3.878 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.704 12.057 -4.930 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -7.306 10.809 -6.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -7.531 12.987 -6.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -9.064 12.307 -6.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -8.481 13.517 -5.675 1.00 0.00 H new ATOM 687 N VAL A 44 -6.030 6.241 -3.402 1.00 0.00 N ATOM 688 CA VAL A 44 -5.656 4.951 -3.968 1.00 0.00 C ATOM 689 C VAL A 44 -5.705 3.866 -2.895 1.00 0.00 C ATOM 690 O VAL A 44 -6.467 2.910 -3.040 1.00 0.00 O ATOM 691 CB VAL A 44 -4.272 5.002 -4.654 1.00 0.00 C ATOM 692 CG1 VAL A 44 -3.946 3.660 -5.325 1.00 0.00 C ATOM 693 CG2 VAL A 44 -4.220 6.114 -5.710 1.00 0.00 C ATOM 0 H VAL A 44 -5.236 6.862 -3.248 1.00 0.00 H new ATOM 0 HA VAL A 44 -6.382 4.703 -4.742 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.534 5.209 -3.879 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.967 3.720 -5.801 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.936 2.870 -4.574 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.702 3.436 -6.077 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.235 6.127 -6.177 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -4.979 5.930 -6.470 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.409 7.076 -5.234 1.00 0.00 H new ATOM 703 N LEU A 45 -4.848 3.949 -1.872 1.00 0.00 N ATOM 704 CA LEU A 45 -4.656 2.834 -0.949 1.00 0.00 C ATOM 705 C LEU A 45 -5.828 2.712 0.026 1.00 0.00 C ATOM 706 O LEU A 45 -6.028 1.623 0.564 1.00 0.00 O ATOM 707 CB LEU A 45 -3.311 2.921 -0.195 1.00 0.00 C ATOM 708 CG LEU A 45 -2.077 2.842 -1.113 1.00 0.00 C ATOM 709 CD1 LEU A 45 -0.800 3.352 -0.445 1.00 0.00 C ATOM 710 CD2 LEU A 45 -1.801 1.390 -1.476 1.00 0.00 C ATOM 0 H LEU A 45 -4.282 4.772 -1.666 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.623 1.928 -1.553 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.278 3.857 0.363 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.261 2.113 0.535 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.312 3.462 -1.978 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.033 3.270 -1.143 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.931 4.395 -0.158 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.590 2.755 0.442 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.927 1.337 -2.126 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.613 0.817 -0.568 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.665 0.974 -1.995 1.00 0.00 H new ATOM 722 N GLY A 46 -6.632 3.763 0.220 1.00 0.00 N ATOM 723 CA GLY A 46 -7.706 3.778 1.202 1.00 0.00 C ATOM 724 C GLY A 46 -7.127 3.701 2.607 1.00 0.00 C ATOM 725 O GLY A 46 -7.612 2.930 3.444 1.00 0.00 O ATOM 0 H GLY A 46 -6.550 4.632 -0.308 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -8.297 4.687 1.093 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -8.379 2.938 1.030 1.00 0.00 H new ATOM 729 N LEU A 47 -6.051 4.449 2.856 1.00 0.00 N ATOM 730 CA LEU A 47 -5.368 4.475 4.135 1.00 0.00 C ATOM 731 C LEU A 47 -5.369 5.895 4.668 1.00 0.00 C ATOM 732 O LEU A 47 -5.137 6.851 3.929 1.00 0.00 O ATOM 733 CB LEU A 47 -3.934 3.946 3.998 1.00 0.00 C ATOM 734 CG LEU A 47 -3.837 2.432 3.731 1.00 0.00 C ATOM 735 CD1 LEU A 47 -2.364 2.087 3.513 1.00 0.00 C ATOM 736 CD2 LEU A 47 -4.369 1.573 4.886 1.00 0.00 C ATOM 0 H LEU A 47 -5.629 5.061 2.158 1.00 0.00 H new ATOM 0 HA LEU A 47 -5.892 3.826 4.837 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.439 4.478 3.185 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.386 4.177 4.911 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.454 2.212 2.859 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.265 1.019 3.321 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.982 2.646 2.659 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.793 2.350 4.403 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.270 0.518 4.630 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.796 1.783 5.789 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.419 1.807 5.060 1.00 0.00 H new ATOM 748 N SER A 48 -5.583 6.006 5.975 1.00 0.00 N ATOM 749 CA SER A 48 -5.418 7.225 6.736 1.00 0.00 C ATOM 750 C SER A 48 -4.012 7.780 6.529 1.00 0.00 C ATOM 751 O SER A 48 -3.039 7.030 6.409 1.00 0.00 O ATOM 752 CB SER A 48 -5.725 6.971 8.222 1.00 0.00 C ATOM 753 OG SER A 48 -5.612 5.608 8.599 1.00 0.00 O ATOM 0 H SER A 48 -5.887 5.218 6.547 1.00 0.00 H new ATOM 0 HA SER A 48 -6.126 7.975 6.382 1.00 0.00 H new ATOM 0 HB2 SER A 48 -5.045 7.566 8.832 1.00 0.00 H new ATOM 0 HB3 SER A 48 -6.735 7.317 8.440 1.00 0.00 H new ATOM 0 HG SER A 48 -5.817 5.514 9.553 1.00 0.00 H new ATOM 759 N GLN A 49 -3.924 9.107 6.517 1.00 0.00 N ATOM 760 CA GLN A 49 -2.721 9.840 6.177 1.00 0.00 C ATOM 761 C GLN A 49 -1.530 9.402 7.032 1.00 0.00 C ATOM 762 O GLN A 49 -0.486 9.084 6.470 1.00 0.00 O ATOM 763 CB GLN A 49 -2.972 11.350 6.299 1.00 0.00 C ATOM 764 CG GLN A 49 -1.925 12.103 5.478 1.00 0.00 C ATOM 765 CD GLN A 49 -1.906 13.593 5.793 1.00 0.00 C ATOM 766 OE1 GLN A 49 -2.847 14.329 5.502 1.00 0.00 O ATOM 767 NE2 GLN A 49 -0.815 14.072 6.361 1.00 0.00 N ATOM 0 H GLN A 49 -4.711 9.713 6.750 1.00 0.00 H new ATOM 0 HA GLN A 49 -2.466 9.613 5.142 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -3.973 11.594 5.944 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.921 11.656 7.344 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.940 11.680 5.674 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -2.128 11.961 4.416 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -0.045 13.446 6.595 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -0.742 15.069 6.566 1.00 0.00 H new ATOM 776 N GLY A 50 -1.668 9.382 8.362 1.00 0.00 N ATOM 777 CA GLY A 50 -0.575 8.992 9.247 1.00 0.00 C ATOM 778 C GLY A 50 -0.141 7.557 8.967 1.00 0.00 C ATOM 779 O GLY A 50 1.056 7.283 8.875 1.00 0.00 O ATOM 0 H GLY A 50 -2.530 9.633 8.846 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.270 9.666 9.109 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -0.891 9.086 10.286 1.00 0.00 H new ATOM 783 N SER A 51 -1.114 6.659 8.775 1.00 0.00 N ATOM 784 CA SER A 51 -0.887 5.257 8.470 1.00 0.00 C ATOM 785 C SER A 51 0.009 5.111 7.238 1.00 0.00 C ATOM 786 O SER A 51 1.050 4.457 7.335 1.00 0.00 O ATOM 787 CB SER A 51 -2.220 4.517 8.278 1.00 0.00 C ATOM 788 OG SER A 51 -3.124 4.800 9.330 1.00 0.00 O ATOM 0 H SER A 51 -2.103 6.902 8.831 1.00 0.00 H new ATOM 0 HA SER A 51 -0.372 4.801 9.316 1.00 0.00 H new ATOM 0 HB2 SER A 51 -2.665 4.807 7.326 1.00 0.00 H new ATOM 0 HB3 SER A 51 -2.038 3.443 8.231 1.00 0.00 H new ATOM 0 HG SER A 51 -3.963 5.143 8.957 1.00 0.00 H new ATOM 794 N VAL A 52 -0.386 5.684 6.094 1.00 0.00 N ATOM 795 CA VAL A 52 0.357 5.612 4.852 1.00 0.00 C ATOM 796 C VAL A 52 1.706 6.320 4.946 1.00 0.00 C ATOM 797 O VAL A 52 2.696 5.827 4.406 1.00 0.00 O ATOM 798 CB VAL A 52 -0.547 6.145 3.710 1.00 0.00 C ATOM 799 CG1 VAL A 52 -0.246 7.578 3.240 1.00 0.00 C ATOM 800 CG2 VAL A 52 -0.472 5.143 2.569 1.00 0.00 C ATOM 0 H VAL A 52 -1.251 6.219 6.016 1.00 0.00 H new ATOM 0 HA VAL A 52 0.613 4.576 4.632 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.561 6.232 4.101 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -0.935 7.851 2.440 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.368 8.268 4.075 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.778 7.632 2.871 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -1.097 5.484 1.744 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.560 5.054 2.230 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -0.825 4.171 2.914 1.00 0.00 H new ATOM 810 N SER A 53 1.745 7.477 5.604 1.00 0.00 N ATOM 811 CA SER A 53 2.899 8.345 5.600 1.00 0.00 C ATOM 812 C SER A 53 4.039 7.674 6.357 1.00 0.00 C ATOM 813 O SER A 53 5.184 7.714 5.895 1.00 0.00 O ATOM 814 CB SER A 53 2.472 9.680 6.207 1.00 0.00 C ATOM 815 OG SER A 53 3.509 10.640 6.181 1.00 0.00 O ATOM 0 H SER A 53 0.965 7.833 6.157 1.00 0.00 H new ATOM 0 HA SER A 53 3.270 8.533 4.593 1.00 0.00 H new ATOM 0 HB2 SER A 53 1.610 10.065 5.662 1.00 0.00 H new ATOM 0 HB3 SER A 53 2.153 9.522 7.237 1.00 0.00 H new ATOM 0 HG SER A 53 3.190 11.477 6.578 1.00 0.00 H new ATOM 821 N ASP A 54 3.737 7.025 7.486 1.00 0.00 N ATOM 822 CA ASP A 54 4.737 6.258 8.216 1.00 0.00 C ATOM 823 C ASP A 54 5.169 5.041 7.403 1.00 0.00 C ATOM 824 O ASP A 54 6.337 4.666 7.442 1.00 0.00 O ATOM 825 CB ASP A 54 4.211 5.808 9.582 1.00 0.00 C ATOM 826 CG ASP A 54 5.393 5.635 10.538 1.00 0.00 C ATOM 827 OD1 ASP A 54 6.081 4.597 10.530 1.00 0.00 O ATOM 828 OD2 ASP A 54 5.708 6.600 11.279 1.00 0.00 O ATOM 0 H ASP A 54 2.809 7.019 7.909 1.00 0.00 H new ATOM 0 HA ASP A 54 5.597 6.908 8.379 1.00 0.00 H new ATOM 0 HB2 ASP A 54 3.512 6.545 9.977 1.00 0.00 H new ATOM 0 HB3 ASP A 54 3.665 4.870 9.485 1.00 0.00 H new ATOM 833 N MET A 55 4.248 4.460 6.626 1.00 0.00 N ATOM 834 CA MET A 55 4.494 3.296 5.779 1.00 0.00 C ATOM 835 C MET A 55 5.573 3.605 4.753 1.00 0.00 C ATOM 836 O MET A 55 6.579 2.898 4.684 1.00 0.00 O ATOM 837 CB MET A 55 3.197 2.834 5.093 1.00 0.00 C ATOM 838 CG MET A 55 2.984 1.338 5.311 1.00 0.00 C ATOM 839 SD MET A 55 1.366 0.681 4.829 1.00 0.00 S ATOM 840 CE MET A 55 0.312 1.659 5.922 1.00 0.00 C ATOM 0 H MET A 55 3.287 4.798 6.570 1.00 0.00 H new ATOM 0 HA MET A 55 4.846 2.480 6.410 1.00 0.00 H new ATOM 0 HB2 MET A 55 2.349 3.391 5.492 1.00 0.00 H new ATOM 0 HB3 MET A 55 3.246 3.049 4.026 1.00 0.00 H new ATOM 0 HG2 MET A 55 3.752 0.798 4.756 1.00 0.00 H new ATOM 0 HG3 MET A 55 3.141 1.120 6.367 1.00 0.00 H new ATOM 0 HE1 MET A 55 -0.648 1.157 6.047 1.00 0.00 H new ATOM 0 HE2 MET A 55 0.795 1.765 6.893 1.00 0.00 H new ATOM 0 HE3 MET A 55 0.152 2.645 5.486 1.00 0.00 H new ATOM 850 N LEU A 56 5.368 4.653 3.956 1.00 0.00 N ATOM 851 CA LEU A 56 6.383 5.156 3.041 1.00 0.00 C ATOM 852 C LEU A 56 7.661 5.621 3.752 1.00 0.00 C ATOM 853 O LEU A 56 8.719 5.574 3.126 1.00 0.00 O ATOM 854 CB LEU A 56 5.829 6.297 2.171 1.00 0.00 C ATOM 855 CG LEU A 56 4.665 5.952 1.219 1.00 0.00 C ATOM 856 CD1 LEU A 56 4.570 7.039 0.144 1.00 0.00 C ATOM 857 CD2 LEU A 56 4.855 4.605 0.509 1.00 0.00 C ATOM 0 H LEU A 56 4.492 5.175 3.929 1.00 0.00 H new ATOM 0 HA LEU A 56 6.654 4.312 2.406 1.00 0.00 H new ATOM 0 HB2 LEU A 56 5.499 7.098 2.833 1.00 0.00 H new ATOM 0 HB3 LEU A 56 6.649 6.695 1.573 1.00 0.00 H new ATOM 0 HG LEU A 56 3.761 5.891 1.825 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.750 6.807 -0.536 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.387 8.004 0.617 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.505 7.081 -0.415 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.005 4.416 -0.147 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.771 4.631 -0.082 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.924 3.809 1.251 1.00 0.00 H new ATOM 869 N SER A 57 7.599 6.070 5.012 1.00 0.00 N ATOM 870 CA SER A 57 8.788 6.465 5.769 1.00 0.00 C ATOM 871 C SER A 57 9.619 5.236 6.174 1.00 0.00 C ATOM 872 O SER A 57 10.849 5.281 6.117 1.00 0.00 O ATOM 873 CB SER A 57 8.390 7.277 7.016 1.00 0.00 C ATOM 874 OG SER A 57 9.277 8.359 7.244 1.00 0.00 O ATOM 0 H SER A 57 6.727 6.168 5.531 1.00 0.00 H new ATOM 0 HA SER A 57 9.403 7.093 5.125 1.00 0.00 H new ATOM 0 HB2 SER A 57 7.376 7.658 6.894 1.00 0.00 H new ATOM 0 HB3 SER A 57 8.382 6.623 7.888 1.00 0.00 H new ATOM 0 HG SER A 57 8.993 8.852 8.042 1.00 0.00 H new ATOM 880 N ARG A 58 8.981 4.145 6.610 1.00 0.00 N ATOM 881 CA ARG A 58 9.641 2.904 7.010 1.00 0.00 C ATOM 882 C ARG A 58 8.773 1.709 6.620 1.00 0.00 C ATOM 883 O ARG A 58 7.976 1.239 7.439 1.00 0.00 O ATOM 884 CB ARG A 58 9.991 2.883 8.509 1.00 0.00 C ATOM 885 CG ARG A 58 8.857 3.278 9.473 1.00 0.00 C ATOM 886 CD ARG A 58 8.816 2.380 10.718 1.00 0.00 C ATOM 887 NE ARG A 58 7.963 2.975 11.755 1.00 0.00 N ATOM 888 CZ ARG A 58 8.148 2.934 13.079 1.00 0.00 C ATOM 889 NH1 ARG A 58 9.095 2.187 13.637 1.00 0.00 N ATOM 890 NH2 ARG A 58 7.365 3.658 13.862 1.00 0.00 N ATOM 0 H ARG A 58 7.965 4.102 6.696 1.00 0.00 H new ATOM 0 HA ARG A 58 10.590 2.840 6.478 1.00 0.00 H new ATOM 0 HB2 ARG A 58 10.329 1.880 8.769 1.00 0.00 H new ATOM 0 HB3 ARG A 58 10.833 3.556 8.675 1.00 0.00 H new ATOM 0 HG2 ARG A 58 8.988 4.316 9.780 1.00 0.00 H new ATOM 0 HG3 ARG A 58 7.902 3.218 8.952 1.00 0.00 H new ATOM 0 HD2 ARG A 58 8.438 1.394 10.450 1.00 0.00 H new ATOM 0 HD3 ARG A 58 9.825 2.240 11.106 1.00 0.00 H new ATOM 0 HE ARG A 58 7.136 3.476 11.429 1.00 0.00 H new ATOM 0 HH11 ARG A 58 9.709 1.621 13.052 1.00 0.00 H new ATOM 0 HH12 ARG A 58 9.208 2.180 14.651 1.00 0.00 H new ATOM 0 HH21 ARG A 58 6.632 4.238 13.454 1.00 0.00 H new ATOM 0 HH22 ARG A 58 7.495 3.636 14.873 1.00 0.00 H new ATOM 904 N PRO A 59 8.913 1.169 5.404 1.00 0.00 N ATOM 905 CA PRO A 59 8.222 -0.058 5.061 1.00 0.00 C ATOM 906 C PRO A 59 8.721 -1.208 5.933 1.00 0.00 C ATOM 907 O PRO A 59 9.890 -1.272 6.322 1.00 0.00 O ATOM 908 CB PRO A 59 8.513 -0.322 3.590 1.00 0.00 C ATOM 909 CG PRO A 59 9.749 0.522 3.297 1.00 0.00 C ATOM 910 CD PRO A 59 9.686 1.678 4.285 1.00 0.00 C ATOM 0 HA PRO A 59 7.149 0.028 5.232 1.00 0.00 H new ATOM 0 HB2 PRO A 59 8.700 -1.380 3.404 1.00 0.00 H new ATOM 0 HB3 PRO A 59 7.673 -0.031 2.959 1.00 0.00 H new ATOM 0 HG2 PRO A 59 10.662 -0.058 3.428 1.00 0.00 H new ATOM 0 HG3 PRO A 59 9.745 0.882 2.268 1.00 0.00 H new ATOM 0 HD2 PRO A 59 10.684 1.984 4.600 1.00 0.00 H new ATOM 0 HD3 PRO A 59 9.210 2.552 3.841 1.00 0.00 H new ATOM 918 N LYS A 60 7.835 -2.167 6.192 1.00 0.00 N ATOM 919 CA LYS A 60 8.203 -3.417 6.828 1.00 0.00 C ATOM 920 C LYS A 60 8.937 -4.302 5.831 1.00 0.00 C ATOM 921 O LYS A 60 8.742 -4.136 4.623 1.00 0.00 O ATOM 922 CB LYS A 60 6.927 -4.129 7.285 1.00 0.00 C ATOM 923 CG LYS A 60 6.205 -3.416 8.431 1.00 0.00 C ATOM 924 CD LYS A 60 7.036 -3.415 9.717 1.00 0.00 C ATOM 925 CE LYS A 60 6.115 -3.268 10.928 1.00 0.00 C ATOM 926 NZ LYS A 60 6.873 -3.233 12.187 1.00 0.00 N ATOM 0 H LYS A 60 6.843 -2.094 5.965 1.00 0.00 H new ATOM 0 HA LYS A 60 8.852 -3.219 7.681 1.00 0.00 H new ATOM 0 HB2 LYS A 60 6.247 -4.218 6.438 1.00 0.00 H new ATOM 0 HB3 LYS A 60 7.179 -5.142 7.599 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.987 -2.389 8.139 1.00 0.00 H new ATOM 0 HG3 LYS A 60 5.249 -3.905 8.617 1.00 0.00 H new ATOM 0 HD2 LYS A 60 7.607 -4.341 9.793 1.00 0.00 H new ATOM 0 HD3 LYS A 60 7.756 -2.597 9.695 1.00 0.00 H new ATOM 0 HE2 LYS A 60 5.529 -2.354 10.831 1.00 0.00 H new ATOM 0 HE3 LYS A 60 5.409 -4.098 10.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 6.215 -3.133 12.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 7.413 -4.116 12.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 7.529 -2.426 12.175 1.00 0.00 H new ATOM 940 N PRO A 61 9.717 -5.289 6.293 1.00 0.00 N ATOM 941 CA PRO A 61 10.160 -6.353 5.414 1.00 0.00 C ATOM 942 C PRO A 61 8.956 -7.234 5.071 1.00 0.00 C ATOM 943 O PRO A 61 8.055 -7.398 5.899 1.00 0.00 O ATOM 944 CB PRO A 61 11.245 -7.096 6.186 1.00 0.00 C ATOM 945 CG PRO A 61 10.861 -6.883 7.646 1.00 0.00 C ATOM 946 CD PRO A 61 10.058 -5.580 7.678 1.00 0.00 C ATOM 0 HA PRO A 61 10.566 -6.002 4.465 1.00 0.00 H new ATOM 0 HB2 PRO A 61 11.266 -8.155 5.928 1.00 0.00 H new ATOM 0 HB3 PRO A 61 12.236 -6.696 5.970 1.00 0.00 H new ATOM 0 HG2 PRO A 61 10.268 -7.717 8.021 1.00 0.00 H new ATOM 0 HG3 PRO A 61 11.747 -6.813 8.277 1.00 0.00 H new ATOM 0 HD2 PRO A 61 9.161 -5.689 8.287 1.00 0.00 H new ATOM 0 HD3 PRO A 61 10.643 -4.771 8.115 1.00 0.00 H new ATOM 954 N TRP A 62 8.940 -7.822 3.872 1.00 0.00 N ATOM 955 CA TRP A 62 7.771 -8.540 3.363 1.00 0.00 C ATOM 956 C TRP A 62 7.332 -9.677 4.291 1.00 0.00 C ATOM 957 O TRP A 62 6.133 -9.886 4.489 1.00 0.00 O ATOM 958 CB TRP A 62 8.064 -9.088 1.965 1.00 0.00 C ATOM 959 CG TRP A 62 6.867 -9.616 1.235 1.00 0.00 C ATOM 960 CD1 TRP A 62 6.597 -10.921 1.013 1.00 0.00 C ATOM 961 CD2 TRP A 62 5.776 -8.879 0.602 1.00 0.00 C ATOM 962 NE1 TRP A 62 5.497 -11.037 0.192 1.00 0.00 N ATOM 963 CE2 TRP A 62 4.964 -9.804 -0.118 1.00 0.00 C ATOM 964 CE3 TRP A 62 5.392 -7.522 0.555 1.00 0.00 C ATOM 965 CZ2 TRP A 62 3.892 -9.388 -0.918 1.00 0.00 C ATOM 966 CZ3 TRP A 62 4.282 -7.103 -0.200 1.00 0.00 C ATOM 967 CH2 TRP A 62 3.561 -8.027 -0.974 1.00 0.00 C ATOM 0 H TRP A 62 9.733 -7.814 3.231 1.00 0.00 H new ATOM 0 HA TRP A 62 6.948 -7.827 3.316 1.00 0.00 H new ATOM 0 HB2 TRP A 62 8.517 -8.297 1.367 1.00 0.00 H new ATOM 0 HB3 TRP A 62 8.802 -9.886 2.050 1.00 0.00 H new ATOM 0 HD1 TRP A 62 7.159 -11.749 1.418 1.00 0.00 H new ATOM 0 HE1 TRP A 62 5.123 -11.924 -0.145 1.00 0.00 H new ATOM 0 HE3 TRP A 62 5.962 -6.791 1.110 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 3.325 -10.110 -1.487 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 3.982 -6.065 -0.185 1.00 0.00 H new ATOM 0 HH2 TRP A 62 2.755 -7.690 -1.609 1.00 0.00 H new ATOM 978 N SER A 63 8.289 -10.382 4.902 1.00 0.00 N ATOM 979 CA SER A 63 8.003 -11.477 5.821 1.00 0.00 C ATOM 980 C SER A 63 7.162 -11.001 7.013 1.00 0.00 C ATOM 981 O SER A 63 6.238 -11.693 7.440 1.00 0.00 O ATOM 982 CB SER A 63 9.329 -12.097 6.274 1.00 0.00 C ATOM 983 OG SER A 63 9.097 -13.286 6.997 1.00 0.00 O ATOM 0 H SER A 63 9.285 -10.205 4.770 1.00 0.00 H new ATOM 0 HA SER A 63 7.410 -12.236 5.310 1.00 0.00 H new ATOM 0 HB2 SER A 63 9.954 -12.308 5.406 1.00 0.00 H new ATOM 0 HB3 SER A 63 9.876 -11.387 6.895 1.00 0.00 H new ATOM 0 HG SER A 63 9.954 -13.670 7.278 1.00 0.00 H new ATOM 989 N LYS A 64 7.439 -9.803 7.537 1.00 0.00 N ATOM 990 CA LYS A 64 6.751 -9.242 8.701 1.00 0.00 C ATOM 991 C LYS A 64 5.404 -8.616 8.325 1.00 0.00 C ATOM 992 O LYS A 64 4.731 -8.082 9.208 1.00 0.00 O ATOM 993 CB LYS A 64 7.668 -8.210 9.381 1.00 0.00 C ATOM 994 CG LYS A 64 8.940 -8.833 9.989 1.00 0.00 C ATOM 995 CD LYS A 64 8.707 -9.348 11.407 1.00 0.00 C ATOM 996 CE LYS A 64 9.916 -10.165 11.882 1.00 0.00 C ATOM 997 NZ LYS A 64 9.882 -10.434 13.335 1.00 0.00 N ATOM 0 H LYS A 64 8.159 -9.188 7.158 1.00 0.00 H new ATOM 0 HA LYS A 64 6.534 -10.052 9.398 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.955 -7.453 8.651 1.00 0.00 H new ATOM 0 HB3 LYS A 64 7.110 -7.700 10.166 1.00 0.00 H new ATOM 0 HG2 LYS A 64 9.279 -9.654 9.357 1.00 0.00 H new ATOM 0 HG3 LYS A 64 9.737 -8.090 10.000 1.00 0.00 H new ATOM 0 HD2 LYS A 64 8.538 -8.509 12.083 1.00 0.00 H new ATOM 0 HD3 LYS A 64 7.809 -9.965 11.434 1.00 0.00 H new ATOM 0 HE2 LYS A 64 9.946 -11.111 11.341 1.00 0.00 H new ATOM 0 HE3 LYS A 64 10.832 -9.628 11.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 10.720 -10.988 13.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 9.880 -9.533 13.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 9.022 -10.970 13.569 1.00 0.00 H new ATOM 1011 N LEU A 65 5.000 -8.626 7.053 1.00 0.00 N ATOM 1012 CA LEU A 65 3.644 -8.278 6.651 1.00 0.00 C ATOM 1013 C LEU A 65 2.856 -9.580 6.534 1.00 0.00 C ATOM 1014 O LEU A 65 3.376 -10.584 6.045 1.00 0.00 O ATOM 1015 CB LEU A 65 3.639 -7.532 5.307 1.00 0.00 C ATOM 1016 CG LEU A 65 4.334 -6.159 5.307 1.00 0.00 C ATOM 1017 CD1 LEU A 65 4.416 -5.629 3.872 1.00 0.00 C ATOM 1018 CD2 LEU A 65 3.580 -5.145 6.179 1.00 0.00 C ATOM 0 H LEU A 65 5.609 -8.877 6.274 1.00 0.00 H new ATOM 0 HA LEU A 65 3.194 -7.614 7.389 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.120 -8.163 4.560 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.605 -7.396 4.991 1.00 0.00 H new ATOM 0 HG LEU A 65 5.334 -6.287 5.722 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.908 -4.656 3.871 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.988 -6.326 3.259 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.410 -5.527 3.464 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.100 -4.187 6.155 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.567 -5.018 5.796 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.537 -5.509 7.206 1.00 0.00 H new ATOM 1030 N THR A 66 1.595 -9.552 6.951 1.00 0.00 N ATOM 1031 CA THR A 66 0.614 -10.606 6.703 1.00 0.00 C ATOM 1032 C THR A 66 -0.142 -10.256 5.416 1.00 0.00 C ATOM 1033 O THR A 66 0.165 -9.224 4.817 1.00 0.00 O ATOM 1034 CB THR A 66 -0.300 -10.701 7.933 1.00 0.00 C ATOM 1035 OG1 THR A 66 -0.856 -9.441 8.267 1.00 0.00 O ATOM 1036 CG2 THR A 66 0.517 -11.184 9.132 1.00 0.00 C ATOM 0 H THR A 66 1.214 -8.772 7.487 1.00 0.00 H new ATOM 0 HA THR A 66 1.073 -11.584 6.558 1.00 0.00 H new ATOM 0 HB THR A 66 -1.106 -11.395 7.694 1.00 0.00 H new ATOM 0 HG1 THR A 66 -1.434 -9.536 9.053 1.00 0.00 H new ATOM 0 HG21 THR A 66 -0.128 -11.253 10.008 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.938 -12.165 8.914 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.324 -10.479 9.330 1.00 0.00 H new ATOM 1044 N GLN A 67 -1.124 -11.048 4.967 1.00 0.00 N ATOM 1045 CA GLN A 67 -1.874 -10.695 3.769 1.00 0.00 C ATOM 1046 C GLN A 67 -2.516 -9.308 3.903 1.00 0.00 C ATOM 1047 O GLN A 67 -2.401 -8.505 2.978 1.00 0.00 O ATOM 1048 CB GLN A 67 -2.911 -11.775 3.405 1.00 0.00 C ATOM 1049 CG GLN A 67 -2.714 -12.210 1.949 1.00 0.00 C ATOM 1050 CD GLN A 67 -3.958 -12.855 1.334 1.00 0.00 C ATOM 1051 OE1 GLN A 67 -4.573 -13.745 1.910 1.00 0.00 O ATOM 1052 NE2 GLN A 67 -4.353 -12.450 0.141 1.00 0.00 N ATOM 0 H GLN A 67 -1.410 -11.921 5.410 1.00 0.00 H new ATOM 0 HA GLN A 67 -1.166 -10.647 2.942 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -2.805 -12.633 4.069 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -3.920 -11.386 3.545 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -2.432 -11.342 1.353 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -1.885 -12.916 1.897 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.843 -11.709 -0.341 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -5.168 -12.878 -0.299 1.00 0.00 H new ATOM 1061 N LYS A 68 -3.093 -8.962 5.063 1.00 0.00 N ATOM 1062 CA LYS A 68 -3.681 -7.644 5.250 1.00 0.00 C ATOM 1063 C LYS A 68 -2.622 -6.551 5.231 1.00 0.00 C ATOM 1064 O LYS A 68 -2.894 -5.470 4.715 1.00 0.00 O ATOM 1065 CB LYS A 68 -4.487 -7.596 6.552 1.00 0.00 C ATOM 1066 CG LYS A 68 -5.913 -8.143 6.382 1.00 0.00 C ATOM 1067 CD LYS A 68 -7.014 -7.291 7.034 1.00 0.00 C ATOM 1068 CE LYS A 68 -8.343 -7.935 6.625 1.00 0.00 C ATOM 1069 NZ LYS A 68 -9.551 -7.196 7.045 1.00 0.00 N ATOM 0 H LYS A 68 -3.161 -9.576 5.874 1.00 0.00 H new ATOM 0 HA LYS A 68 -4.357 -7.460 4.415 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -3.969 -8.173 7.318 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -4.536 -6.567 6.907 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -6.127 -8.234 5.317 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -5.954 -9.148 6.803 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.905 -7.276 8.118 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.960 -6.257 6.694 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -8.359 -8.041 5.540 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -8.386 -8.940 7.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -10.399 -7.706 6.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -9.566 -7.116 8.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -9.540 -6.245 6.625 1.00 0.00 H new ATOM 1083 N GLY A 69 -1.427 -6.824 5.757 1.00 0.00 N ATOM 1084 CA GLY A 69 -0.314 -5.889 5.700 1.00 0.00 C ATOM 1085 C GLY A 69 0.216 -5.718 4.276 1.00 0.00 C ATOM 1086 O GLY A 69 0.667 -4.634 3.917 1.00 0.00 O ATOM 0 H GLY A 69 -1.209 -7.699 6.233 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -0.633 -4.921 6.087 1.00 0.00 H new ATOM 0 HA3 GLY A 69 0.490 -6.242 6.346 1.00 0.00 H new ATOM 1090 N ARG A 70 0.191 -6.777 3.464 1.00 0.00 N ATOM 1091 CA ARG A 70 0.636 -6.761 2.074 1.00 0.00 C ATOM 1092 C ARG A 70 -0.395 -6.076 1.192 1.00 0.00 C ATOM 1093 O ARG A 70 -0.007 -5.441 0.226 1.00 0.00 O ATOM 1094 CB ARG A 70 0.889 -8.196 1.576 1.00 0.00 C ATOM 1095 CG ARG A 70 2.116 -8.803 2.265 1.00 0.00 C ATOM 1096 CD ARG A 70 2.256 -10.309 2.057 1.00 0.00 C ATOM 1097 NE ARG A 70 3.390 -10.804 2.849 1.00 0.00 N ATOM 1098 CZ ARG A 70 3.760 -12.074 3.011 1.00 0.00 C ATOM 1099 NH1 ARG A 70 3.140 -13.060 2.380 1.00 0.00 N ATOM 1100 NH2 ARG A 70 4.754 -12.345 3.842 1.00 0.00 N ATOM 0 H ARG A 70 -0.148 -7.691 3.765 1.00 0.00 H new ATOM 0 HA ARG A 70 1.569 -6.200 2.019 1.00 0.00 H new ATOM 0 HB2 ARG A 70 0.013 -8.814 1.773 1.00 0.00 H new ATOM 0 HB3 ARG A 70 1.038 -8.190 0.496 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.013 -8.309 1.891 1.00 0.00 H new ATOM 0 HG3 ARG A 70 2.060 -8.597 3.334 1.00 0.00 H new ATOM 0 HD2 ARG A 70 1.339 -10.816 2.357 1.00 0.00 H new ATOM 0 HD3 ARG A 70 2.411 -10.529 1.001 1.00 0.00 H new ATOM 0 HE ARG A 70 3.954 -10.101 3.326 1.00 0.00 H new ATOM 0 HH11 ARG A 70 2.361 -12.855 1.754 1.00 0.00 H new ATOM 0 HH12 ARG A 70 3.441 -14.024 2.520 1.00 0.00 H new ATOM 0 HH21 ARG A 70 5.220 -11.589 4.343 1.00 0.00 H new ATOM 0 HH22 ARG A 70 5.054 -13.310 3.981 1.00 0.00 H new ATOM 1114 N GLU A 71 -1.682 -6.154 1.515 1.00 0.00 N ATOM 1115 CA GLU A 71 -2.786 -5.638 0.711 1.00 0.00 C ATOM 1116 C GLU A 71 -2.575 -4.208 0.187 1.00 0.00 C ATOM 1117 O GLU A 71 -2.734 -4.004 -1.017 1.00 0.00 O ATOM 1118 CB GLU A 71 -4.089 -5.755 1.506 1.00 0.00 C ATOM 1119 CG GLU A 71 -5.162 -6.531 0.749 1.00 0.00 C ATOM 1120 CD GLU A 71 -6.455 -6.429 1.554 1.00 0.00 C ATOM 1121 OE1 GLU A 71 -6.545 -7.079 2.626 1.00 0.00 O ATOM 1122 OE2 GLU A 71 -7.333 -5.613 1.198 1.00 0.00 O ATOM 0 H GLU A 71 -1.998 -6.596 2.378 1.00 0.00 H new ATOM 0 HA GLU A 71 -2.838 -6.254 -0.187 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -3.889 -6.250 2.457 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -4.461 -4.757 1.738 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -5.299 -6.119 -0.251 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -4.867 -7.573 0.627 1.00 0.00 H new ATOM 1129 N PRO A 72 -2.214 -3.212 1.019 1.00 0.00 N ATOM 1130 CA PRO A 72 -1.917 -1.882 0.513 1.00 0.00 C ATOM 1131 C PRO A 72 -0.617 -1.881 -0.296 1.00 0.00 C ATOM 1132 O PRO A 72 -0.599 -1.345 -1.397 1.00 0.00 O ATOM 1133 CB PRO A 72 -1.880 -0.964 1.735 1.00 0.00 C ATOM 1134 CG PRO A 72 -1.553 -1.895 2.900 1.00 0.00 C ATOM 1135 CD PRO A 72 -2.148 -3.235 2.474 1.00 0.00 C ATOM 0 HA PRO A 72 -2.673 -1.527 -0.187 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -1.125 -0.186 1.624 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -2.836 -0.462 1.884 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -0.478 -1.969 3.063 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -1.993 -1.540 3.832 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -1.530 -4.063 2.822 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -3.139 -3.375 2.906 1.00 0.00 H new ATOM 1143 N PHE A 73 0.452 -2.523 0.187 1.00 0.00 N ATOM 1144 CA PHE A 73 1.722 -2.592 -0.537 1.00 0.00 C ATOM 1145 C PHE A 73 1.534 -3.153 -1.951 1.00 0.00 C ATOM 1146 O PHE A 73 2.184 -2.680 -2.873 1.00 0.00 O ATOM 1147 CB PHE A 73 2.733 -3.471 0.222 1.00 0.00 C ATOM 1148 CG PHE A 73 3.456 -2.836 1.400 1.00 0.00 C ATOM 1149 CD1 PHE A 73 2.776 -2.482 2.579 1.00 0.00 C ATOM 1150 CD2 PHE A 73 4.847 -2.634 1.331 1.00 0.00 C ATOM 1151 CE1 PHE A 73 3.475 -1.903 3.653 1.00 0.00 C ATOM 1152 CE2 PHE A 73 5.543 -2.035 2.390 1.00 0.00 C ATOM 1153 CZ PHE A 73 4.855 -1.655 3.553 1.00 0.00 C ATOM 0 H PHE A 73 0.460 -3.006 1.085 1.00 0.00 H new ATOM 0 HA PHE A 73 2.104 -1.574 -0.612 1.00 0.00 H new ATOM 0 HB2 PHE A 73 2.208 -4.355 0.584 1.00 0.00 H new ATOM 0 HB3 PHE A 73 3.483 -3.815 -0.490 1.00 0.00 H new ATOM 0 HD1 PHE A 73 1.713 -2.655 2.660 1.00 0.00 H new ATOM 0 HD2 PHE A 73 5.386 -2.945 0.449 1.00 0.00 H new ATOM 0 HE1 PHE A 73 2.948 -1.647 4.560 1.00 0.00 H new ATOM 0 HE2 PHE A 73 6.607 -1.866 2.311 1.00 0.00 H new ATOM 0 HZ PHE A 73 5.382 -1.176 4.365 1.00 0.00 H new ATOM 1163 N ILE A 74 0.639 -4.122 -2.128 1.00 0.00 N ATOM 1164 CA ILE A 74 0.267 -4.697 -3.410 1.00 0.00 C ATOM 1165 C ILE A 74 -0.281 -3.604 -4.321 1.00 0.00 C ATOM 1166 O ILE A 74 0.135 -3.505 -5.471 1.00 0.00 O ATOM 1167 CB ILE A 74 -0.712 -5.866 -3.169 1.00 0.00 C ATOM 1168 CG1 ILE A 74 0.070 -7.074 -2.610 1.00 0.00 C ATOM 1169 CG2 ILE A 74 -1.514 -6.240 -4.422 1.00 0.00 C ATOM 1170 CD1 ILE A 74 -0.830 -8.083 -1.903 1.00 0.00 C ATOM 0 H ILE A 74 0.135 -4.542 -1.347 1.00 0.00 H new ATOM 0 HA ILE A 74 1.132 -5.113 -3.927 1.00 0.00 H new ATOM 0 HB ILE A 74 -1.452 -5.544 -2.437 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.595 -7.571 -3.426 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.829 -6.719 -1.913 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -2.185 -7.068 -4.191 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.098 -5.380 -4.750 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -0.830 -6.538 -5.216 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -0.226 -8.911 -1.531 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -1.335 -7.598 -1.068 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -1.573 -8.463 -2.605 1.00 0.00 H new ATOM 1182 N ARG A 75 -1.187 -2.753 -3.832 1.00 0.00 N ATOM 1183 CA ARG A 75 -1.652 -1.629 -4.622 1.00 0.00 C ATOM 1184 C ARG A 75 -0.542 -0.620 -4.876 1.00 0.00 C ATOM 1185 O ARG A 75 -0.544 -0.065 -5.966 1.00 0.00 O ATOM 1186 CB ARG A 75 -2.879 -0.984 -3.979 1.00 0.00 C ATOM 1187 CG ARG A 75 -4.150 -1.582 -4.591 1.00 0.00 C ATOM 1188 CD ARG A 75 -5.411 -0.947 -3.997 1.00 0.00 C ATOM 1189 NE ARG A 75 -6.507 -1.932 -3.962 1.00 0.00 N ATOM 1190 CZ ARG A 75 -7.144 -2.369 -2.869 1.00 0.00 C ATOM 1191 NH1 ARG A 75 -6.920 -1.804 -1.687 1.00 0.00 N ATOM 1192 NH2 ARG A 75 -7.998 -3.380 -2.959 1.00 0.00 N ATOM 0 H ARG A 75 -1.604 -2.826 -2.904 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.954 -2.008 -5.598 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -2.868 -1.150 -2.902 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.860 0.095 -4.135 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.140 -1.433 -5.671 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.167 -2.658 -4.418 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -5.205 -0.585 -2.990 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -5.707 -0.083 -4.592 1.00 0.00 H new ATOM 0 HE ARG A 75 -6.809 -2.318 -4.857 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -6.259 -1.032 -1.608 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -7.410 -2.143 -0.859 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -8.169 -3.824 -3.861 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -8.484 -3.713 -2.126 1.00 0.00 H new ATOM 1206 N MET A 76 0.414 -0.385 -3.969 1.00 0.00 N ATOM 1207 CA MET A 76 1.570 0.432 -4.308 1.00 0.00 C ATOM 1208 C MET A 76 2.391 -0.195 -5.446 1.00 0.00 C ATOM 1209 O MET A 76 2.832 0.532 -6.333 1.00 0.00 O ATOM 1210 CB MET A 76 2.407 0.629 -3.037 1.00 0.00 C ATOM 1211 CG MET A 76 1.842 1.648 -2.097 1.00 0.00 C ATOM 1212 SD MET A 76 1.391 1.019 -0.458 1.00 0.00 S ATOM 1213 CE MET A 76 3.001 1.120 0.252 1.00 0.00 C ATOM 0 H MET A 76 0.406 -0.744 -3.014 1.00 0.00 H new ATOM 0 HA MET A 76 1.240 1.403 -4.678 1.00 0.00 H new ATOM 0 HB2 MET A 76 2.492 -0.325 -2.517 1.00 0.00 H new ATOM 0 HB3 MET A 76 3.416 0.928 -3.320 1.00 0.00 H new ATOM 0 HG2 MET A 76 2.571 2.449 -1.973 1.00 0.00 H new ATOM 0 HG3 MET A 76 0.957 2.090 -2.555 1.00 0.00 H new ATOM 0 HE1 MET A 76 2.965 0.775 1.285 1.00 0.00 H new ATOM 0 HE2 MET A 76 3.689 0.494 -0.316 1.00 0.00 H new ATOM 0 HE3 MET A 76 3.346 2.154 0.226 1.00 0.00 H new ATOM 1223 N GLN A 77 2.594 -1.518 -5.434 1.00 0.00 N ATOM 1224 CA GLN A 77 3.367 -2.241 -6.446 1.00 0.00 C ATOM 1225 C GLN A 77 2.661 -2.170 -7.794 1.00 0.00 C ATOM 1226 O GLN A 77 3.304 -1.901 -8.805 1.00 0.00 O ATOM 1227 CB GLN A 77 3.530 -3.719 -6.047 1.00 0.00 C ATOM 1228 CG GLN A 77 4.401 -3.925 -4.800 1.00 0.00 C ATOM 1229 CD GLN A 77 3.960 -5.091 -3.913 1.00 0.00 C ATOM 1230 OE1 GLN A 77 3.253 -6.007 -4.293 1.00 0.00 O ATOM 1231 NE2 GLN A 77 4.342 -5.071 -2.650 1.00 0.00 N ATOM 0 H GLN A 77 2.218 -2.126 -4.706 1.00 0.00 H new ATOM 0 HA GLN A 77 4.350 -1.775 -6.519 1.00 0.00 H new ATOM 0 HB2 GLN A 77 2.545 -4.149 -5.867 1.00 0.00 H new ATOM 0 HB3 GLN A 77 3.969 -4.266 -6.881 1.00 0.00 H new ATOM 0 HG2 GLN A 77 5.432 -4.091 -5.114 1.00 0.00 H new ATOM 0 HG3 GLN A 77 4.392 -3.009 -4.209 1.00 0.00 H new ATOM 0 HE21 GLN A 77 4.934 -4.314 -2.308 1.00 0.00 H new ATOM 0 HE22 GLN A 77 4.045 -5.812 -2.016 1.00 0.00 H new ATOM 1240 N LEU A 78 1.347 -2.395 -7.809 1.00 0.00 N ATOM 1241 CA LEU A 78 0.519 -2.243 -8.992 1.00 0.00 C ATOM 1242 C LEU A 78 0.587 -0.822 -9.471 1.00 0.00 C ATOM 1243 O LEU A 78 1.115 -0.621 -10.553 1.00 0.00 O ATOM 1244 CB LEU A 78 -0.933 -2.666 -8.706 1.00 0.00 C ATOM 1245 CG LEU A 78 -1.164 -4.168 -8.928 1.00 0.00 C ATOM 1246 CD1 LEU A 78 -2.233 -4.691 -7.964 1.00 0.00 C ATOM 1247 CD2 LEU A 78 -1.567 -4.432 -10.384 1.00 0.00 C ATOM 0 H LEU A 78 0.826 -2.692 -6.984 1.00 0.00 H new ATOM 0 HA LEU A 78 0.897 -2.897 -9.778 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.186 -2.411 -7.677 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.606 -2.099 -9.349 1.00 0.00 H new ATOM 0 HG LEU A 78 -0.235 -4.701 -8.727 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -2.386 -5.757 -8.133 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.907 -4.530 -6.937 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -3.169 -4.159 -8.135 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -1.728 -5.500 -10.529 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -2.487 -3.892 -10.611 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -0.773 -4.091 -11.049 1.00 0.00 H new ATOM 1259 N TRP A 79 0.112 0.146 -8.686 1.00 0.00 N ATOM 1260 CA TRP A 79 -0.039 1.543 -9.074 1.00 0.00 C ATOM 1261 C TRP A 79 1.194 2.088 -9.797 1.00 0.00 C ATOM 1262 O TRP A 79 1.047 2.909 -10.702 1.00 0.00 O ATOM 1263 CB TRP A 79 -0.333 2.376 -7.817 1.00 0.00 C ATOM 1264 CG TRP A 79 -0.376 3.856 -8.019 1.00 0.00 C ATOM 1265 CD1 TRP A 79 -1.474 4.598 -8.279 1.00 0.00 C ATOM 1266 CD2 TRP A 79 0.748 4.781 -8.039 1.00 0.00 C ATOM 1267 NE1 TRP A 79 -1.109 5.922 -8.434 1.00 0.00 N ATOM 1268 CE2 TRP A 79 0.255 6.092 -8.297 1.00 0.00 C ATOM 1269 CE3 TRP A 79 2.141 4.633 -7.863 1.00 0.00 C ATOM 1270 CZ2 TRP A 79 1.112 7.202 -8.358 1.00 0.00 C ATOM 1271 CZ3 TRP A 79 3.012 5.728 -7.965 1.00 0.00 C ATOM 1272 CH2 TRP A 79 2.496 7.013 -8.197 1.00 0.00 C ATOM 0 H TRP A 79 -0.188 -0.031 -7.728 1.00 0.00 H new ATOM 0 HA TRP A 79 -0.867 1.612 -9.779 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -1.290 2.055 -7.406 1.00 0.00 H new ATOM 0 HB3 TRP A 79 0.427 2.151 -7.068 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -2.481 4.216 -8.354 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -1.765 6.679 -8.626 1.00 0.00 H new ATOM 0 HE3 TRP A 79 2.545 3.655 -7.645 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 0.712 8.191 -8.527 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 4.078 5.583 -7.865 1.00 0.00 H new ATOM 0 HH2 TRP A 79 3.165 7.859 -8.252 1.00 0.00 H new ATOM 1283 N LEU A 80 2.384 1.611 -9.418 1.00 0.00 N ATOM 1284 CA LEU A 80 3.652 1.960 -10.034 1.00 0.00 C ATOM 1285 C LEU A 80 3.589 1.802 -11.551 1.00 0.00 C ATOM 1286 O LEU A 80 4.003 2.732 -12.242 1.00 0.00 O ATOM 1287 CB LEU A 80 4.787 1.115 -9.418 1.00 0.00 C ATOM 1288 CG LEU A 80 5.613 1.924 -8.410 1.00 0.00 C ATOM 1289 CD1 LEU A 80 6.313 0.999 -7.419 1.00 0.00 C ATOM 1290 CD2 LEU A 80 6.651 2.782 -9.136 1.00 0.00 C ATOM 0 H LEU A 80 2.486 0.950 -8.648 1.00 0.00 H new ATOM 0 HA LEU A 80 3.863 3.010 -9.833 1.00 0.00 H new ATOM 0 HB2 LEU A 80 4.363 0.241 -8.923 1.00 0.00 H new ATOM 0 HB3 LEU A 80 5.439 0.747 -10.211 1.00 0.00 H new ATOM 0 HG LEU A 80 4.932 2.575 -7.862 1.00 0.00 H new ATOM 0 HD11 LEU A 80 6.893 1.594 -6.713 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.568 0.417 -6.876 1.00 0.00 H new ATOM 0 HD13 LEU A 80 6.978 0.325 -7.958 1.00 0.00 H new ATOM 0 HD21 LEU A 80 7.228 3.350 -8.406 1.00 0.00 H new ATOM 0 HD22 LEU A 80 7.320 2.138 -9.707 1.00 0.00 H new ATOM 0 HD23 LEU A 80 6.145 3.470 -9.813 1.00 0.00 H new ATOM 1302 N SER A 81 3.130 0.655 -12.059 1.00 0.00 N ATOM 1303 CA SER A 81 2.877 0.460 -13.482 1.00 0.00 C ATOM 1304 C SER A 81 1.398 0.691 -13.829 1.00 0.00 C ATOM 1305 O SER A 81 1.063 1.401 -14.769 1.00 0.00 O ATOM 1306 CB SER A 81 3.377 -0.937 -13.854 1.00 0.00 C ATOM 1307 OG SER A 81 3.251 -1.187 -15.239 1.00 0.00 O ATOM 0 H SER A 81 2.924 -0.166 -11.489 1.00 0.00 H new ATOM 0 HA SER A 81 3.418 1.197 -14.075 1.00 0.00 H new ATOM 0 HB2 SER A 81 4.421 -1.040 -13.559 1.00 0.00 H new ATOM 0 HB3 SER A 81 2.814 -1.685 -13.297 1.00 0.00 H new ATOM 0 HG SER A 81 3.581 -2.087 -15.440 1.00 0.00 H new ATOM 1313 N ASP A 82 0.506 0.034 -13.091 1.00 0.00 N ATOM 1314 CA ASP A 82 -0.915 -0.176 -13.366 1.00 0.00 C ATOM 1315 C ASP A 82 -1.742 1.107 -13.328 1.00 0.00 C ATOM 1316 O ASP A 82 -2.780 1.182 -13.983 1.00 0.00 O ATOM 1317 CB ASP A 82 -1.459 -1.115 -12.281 1.00 0.00 C ATOM 1318 CG ASP A 82 -2.870 -1.612 -12.575 1.00 0.00 C ATOM 1319 OD1 ASP A 82 -3.014 -2.524 -13.422 1.00 0.00 O ATOM 1320 OD2 ASP A 82 -3.807 -1.124 -11.897 1.00 0.00 O ATOM 0 H ASP A 82 0.781 -0.402 -12.211 1.00 0.00 H new ATOM 0 HA ASP A 82 -0.998 -0.583 -14.374 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -0.792 -1.971 -12.181 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -1.455 -0.595 -11.323 1.00 0.00 H new ATOM 1325 N GLN A 83 -1.297 2.094 -12.541 1.00 0.00 N ATOM 1326 CA GLN A 83 -1.935 3.383 -12.263 1.00 0.00 C ATOM 1327 C GLN A 83 -3.370 3.322 -11.703 1.00 0.00 C ATOM 1328 O GLN A 83 -3.885 4.376 -11.310 1.00 0.00 O ATOM 1329 CB GLN A 83 -1.867 4.281 -13.507 1.00 0.00 C ATOM 1330 CG GLN A 83 -0.438 4.570 -13.991 1.00 0.00 C ATOM 1331 CD GLN A 83 -0.436 5.517 -15.187 1.00 0.00 C ATOM 1332 OE1 GLN A 83 -1.383 5.577 -15.964 1.00 0.00 O ATOM 1333 NE2 GLN A 83 0.611 6.302 -15.365 1.00 0.00 N ATOM 0 H GLN A 83 -0.411 2.003 -12.044 1.00 0.00 H new ATOM 0 HA GLN A 83 -1.356 3.813 -11.446 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -2.425 3.808 -14.315 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -2.364 5.226 -13.288 1.00 0.00 H new ATOM 0 HG2 GLN A 83 0.142 5.007 -13.178 1.00 0.00 H new ATOM 0 HG3 GLN A 83 0.051 3.635 -14.264 1.00 0.00 H new ATOM 0 HE21 GLN A 83 1.400 6.254 -14.720 1.00 0.00 H new ATOM 0 HE22 GLN A 83 0.631 6.956 -16.147 1.00 0.00 H new ATOM 1342 N LEU A 84 -3.984 2.138 -11.578 1.00 0.00 N ATOM 1343 CA LEU A 84 -5.376 1.886 -11.232 1.00 0.00 C ATOM 1344 C LEU A 84 -6.341 2.641 -12.132 1.00 0.00 C ATOM 1345 O LEU A 84 -6.795 3.748 -11.814 1.00 0.00 O ATOM 1346 CB LEU A 84 -5.652 2.120 -9.753 1.00 0.00 C ATOM 1347 CG LEU A 84 -5.020 1.005 -8.899 1.00 0.00 C ATOM 1348 CD1 LEU A 84 -3.659 1.410 -8.341 1.00 0.00 C ATOM 1349 CD2 LEU A 84 -5.950 0.620 -7.760 1.00 0.00 C ATOM 0 H LEU A 84 -3.474 1.268 -11.730 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.556 0.827 -11.414 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.251 3.088 -9.452 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -6.728 2.153 -9.579 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.868 0.146 -9.553 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.252 0.593 -7.746 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.980 1.633 -9.164 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -3.771 2.295 -7.714 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -5.490 -0.169 -7.165 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -6.133 1.490 -7.129 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -6.896 0.262 -8.167 1.00 0.00 H new ATOM 1361 N GLY A 85 -6.683 2.006 -13.251 1.00 0.00 N ATOM 1362 CA GLY A 85 -7.560 2.565 -14.259 1.00 0.00 C ATOM 1363 C GLY A 85 -9.019 2.504 -13.830 1.00 0.00 C ATOM 1364 O GLY A 85 -9.782 1.661 -14.298 1.00 0.00 O ATOM 0 H GLY A 85 -6.348 1.070 -13.480 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -7.280 3.601 -14.452 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -7.433 2.021 -15.195 1.00 0.00 H new ATOM 1368 N GLN A 86 -9.405 3.388 -12.915 1.00 0.00 N ATOM 1369 CA GLN A 86 -10.734 3.485 -12.309 1.00 0.00 C ATOM 1370 C GLN A 86 -11.847 3.782 -13.307 1.00 0.00 C ATOM 1371 O GLN A 86 -13.008 3.435 -13.062 1.00 0.00 O ATOM 1372 CB GLN A 86 -10.670 4.584 -11.241 1.00 0.00 C ATOM 1373 CG GLN A 86 -11.166 4.105 -9.880 1.00 0.00 C ATOM 1374 CD GLN A 86 -11.062 5.226 -8.853 1.00 0.00 C ATOM 1375 OE1 GLN A 86 -10.037 5.899 -8.728 1.00 0.00 O ATOM 1376 NE2 GLN A 86 -12.110 5.453 -8.088 1.00 0.00 N ATOM 0 H GLN A 86 -8.765 4.096 -12.555 1.00 0.00 H new ATOM 0 HA GLN A 86 -10.986 2.515 -11.881 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -9.642 4.935 -11.147 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -11.269 5.435 -11.564 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -12.200 3.771 -9.960 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -10.578 3.247 -9.553 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -12.954 4.891 -8.199 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -12.078 6.191 -7.385 1.00 0.00 H new ATOM 1385 N ALA A 87 -11.500 4.490 -14.375 1.00 0.00 N ATOM 1386 CA ALA A 87 -12.356 4.948 -15.446 1.00 0.00 C ATOM 1387 C ALA A 87 -11.465 5.763 -16.377 1.00 0.00 C ATOM 1388 O ALA A 87 -10.561 6.461 -15.900 1.00 0.00 O ATOM 1389 CB ALA A 87 -13.455 5.853 -14.880 1.00 0.00 C ATOM 0 H ALA A 87 -10.532 4.778 -14.519 1.00 0.00 H new ATOM 0 HA ALA A 87 -12.830 4.113 -15.962 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -14.098 6.196 -15.691 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -14.050 5.295 -14.157 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -13.001 6.713 -14.389 1.00 0.00 H new ATOM 1395 N VAL A 88 -11.735 5.711 -17.671 1.00 0.00 N ATOM 1396 CA VAL A 88 -11.179 6.583 -18.692 1.00 0.00 C ATOM 1397 C VAL A 88 -12.355 7.109 -19.527 1.00 0.00 C ATOM 1398 O VAL A 88 -13.516 6.905 -19.157 1.00 0.00 O ATOM 1399 CB VAL A 88 -10.099 5.833 -19.501 1.00 0.00 C ATOM 1400 CG1 VAL A 88 -8.799 5.689 -18.708 1.00 0.00 C ATOM 1401 CG2 VAL A 88 -10.525 4.432 -19.941 1.00 0.00 C ATOM 0 H VAL A 88 -12.382 5.023 -18.057 1.00 0.00 H new ATOM 0 HA VAL A 88 -10.659 7.443 -18.269 1.00 0.00 H new ATOM 0 HB VAL A 88 -9.948 6.449 -20.387 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -8.063 5.156 -19.310 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -8.415 6.678 -18.456 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -8.992 5.131 -17.792 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -9.716 3.966 -20.504 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -10.751 3.828 -19.062 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -11.412 4.502 -20.571 1.00 0.00 H new ATOM 1411 N GLY A 89 -12.082 7.858 -20.595 1.00 0.00 N ATOM 1412 CA GLY A 89 -13.113 8.437 -21.441 1.00 0.00 C ATOM 1413 C GLY A 89 -13.967 7.368 -22.102 1.00 0.00 C ATOM 1414 O GLY A 89 -15.195 7.439 -22.038 1.00 0.00 O ATOM 0 H GLY A 89 -11.132 8.079 -20.895 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -13.748 9.092 -20.844 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -12.648 9.057 -22.208 1.00 0.00 H new ATOM 1418 N GLN A 90 -13.296 6.380 -22.705 1.00 0.00 N ATOM 1419 CA GLN A 90 -13.859 5.213 -23.364 1.00 0.00 C ATOM 1420 C GLN A 90 -15.086 5.598 -24.201 1.00 0.00 C ATOM 1421 O GLN A 90 -15.042 6.624 -24.888 1.00 0.00 O ATOM 1422 CB GLN A 90 -14.059 4.109 -22.305 1.00 0.00 C ATOM 1423 CG GLN A 90 -13.853 2.697 -22.879 1.00 0.00 C ATOM 1424 CD GLN A 90 -12.826 1.871 -22.106 1.00 0.00 C ATOM 1425 OE1 GLN A 90 -13.146 0.815 -21.568 1.00 0.00 O ATOM 1426 NE2 GLN A 90 -11.577 2.294 -22.043 1.00 0.00 N ATOM 0 H GLN A 90 -12.277 6.382 -22.744 1.00 0.00 H new ATOM 0 HA GLN A 90 -13.182 4.791 -24.106 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -13.362 4.269 -21.483 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -15.064 4.186 -21.890 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -14.807 2.170 -22.878 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -13.535 2.778 -23.918 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -11.313 3.172 -22.491 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -10.876 1.743 -21.547 1.00 0.00 H new ATOM 1435 N GLN A 91 -16.139 4.782 -24.197 1.00 0.00 N ATOM 1436 CA GLN A 91 -17.479 5.230 -24.540 1.00 0.00 C ATOM 1437 C GLN A 91 -18.106 5.778 -23.252 1.00 0.00 C ATOM 1438 O GLN A 91 -18.223 5.007 -22.293 1.00 0.00 O ATOM 1439 CB GLN A 91 -18.273 4.043 -25.124 1.00 0.00 C ATOM 1440 CG GLN A 91 -19.748 4.333 -25.462 1.00 0.00 C ATOM 1441 CD GLN A 91 -19.959 5.552 -26.363 1.00 0.00 C ATOM 1442 OE1 GLN A 91 -19.095 5.918 -27.157 1.00 0.00 O ATOM 1443 NE2 GLN A 91 -21.083 6.236 -26.255 1.00 0.00 N ATOM 0 H GLN A 91 -16.083 3.793 -23.955 1.00 0.00 H new ATOM 0 HA GLN A 91 -17.477 6.013 -25.298 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -17.771 3.703 -26.030 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -18.237 3.219 -24.412 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -20.176 3.457 -25.949 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -20.299 4.482 -24.533 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -21.802 5.935 -25.597 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -21.232 7.065 -26.829 1.00 0.00 H new ATOM 1452 N PRO A 92 -18.518 7.054 -23.175 1.00 0.00 N ATOM 1453 CA PRO A 92 -19.326 7.517 -22.054 1.00 0.00 C ATOM 1454 C PRO A 92 -20.683 6.799 -22.066 1.00 0.00 C ATOM 1455 O PRO A 92 -21.135 6.337 -23.112 1.00 0.00 O ATOM 1456 CB PRO A 92 -19.468 9.028 -22.252 1.00 0.00 C ATOM 1457 CG PRO A 92 -19.308 9.218 -23.759 1.00 0.00 C ATOM 1458 CD PRO A 92 -18.339 8.108 -24.160 1.00 0.00 C ATOM 0 HA PRO A 92 -18.875 7.301 -21.085 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -20.437 9.387 -21.905 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -18.707 9.577 -21.697 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -20.262 9.125 -24.278 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -18.910 10.204 -23.999 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -18.554 7.745 -25.165 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -17.311 8.469 -24.165 1.00 0.00 H new ATOM 1466 N GLY A 93 -21.344 6.722 -20.913 1.00 0.00 N ATOM 1467 CA GLY A 93 -22.702 6.201 -20.784 1.00 0.00 C ATOM 1468 C GLY A 93 -23.584 7.234 -20.094 1.00 0.00 C ATOM 1469 O GLY A 93 -23.064 8.142 -19.437 1.00 0.00 O ATOM 0 H GLY A 93 -20.943 7.026 -20.026 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -23.106 5.963 -21.768 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -22.693 5.274 -20.210 1.00 0.00 H new ATOM 1473 N ALA A 94 -24.905 7.084 -20.157 1.00 0.00 N ATOM 1474 CA ALA A 94 -25.863 7.992 -19.533 1.00 0.00 C ATOM 1475 C ALA A 94 -26.828 7.188 -18.668 1.00 0.00 C ATOM 1476 O ALA A 94 -27.151 6.047 -19.004 1.00 0.00 O ATOM 1477 CB ALA A 94 -26.618 8.761 -20.624 1.00 0.00 C ATOM 0 H ALA A 94 -25.348 6.311 -20.654 1.00 0.00 H new ATOM 0 HA ALA A 94 -25.343 8.710 -18.899 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -27.334 9.440 -20.161 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -25.909 9.334 -21.222 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -27.148 8.057 -21.265 1.00 0.00 H new ATOM 1483 N SER A 95 -27.326 7.792 -17.591 1.00 0.00 N ATOM 1484 CA SER A 95 -28.430 7.269 -16.798 1.00 0.00 C ATOM 1485 C SER A 95 -29.203 8.432 -16.170 1.00 0.00 C ATOM 1486 O SER A 95 -28.754 9.583 -16.198 1.00 0.00 O ATOM 1487 CB SER A 95 -27.914 6.270 -15.747 1.00 0.00 C ATOM 1488 OG SER A 95 -26.806 6.748 -15.003 1.00 0.00 O ATOM 0 H SER A 95 -26.963 8.678 -17.240 1.00 0.00 H new ATOM 0 HA SER A 95 -29.119 6.720 -17.440 1.00 0.00 H new ATOM 0 HB2 SER A 95 -28.725 6.028 -15.060 1.00 0.00 H new ATOM 0 HB3 SER A 95 -27.632 5.343 -16.247 1.00 0.00 H new ATOM 0 HG SER A 95 -26.530 6.068 -14.354 1.00 0.00 H new ATOM 1494 N SER A 96 -30.357 8.129 -15.587 1.00 0.00 N ATOM 1495 CA SER A 96 -31.156 9.019 -14.760 1.00 0.00 C ATOM 1496 C SER A 96 -31.844 8.151 -13.697 1.00 0.00 C ATOM 1497 O SER A 96 -31.648 6.930 -13.677 1.00 0.00 O ATOM 1498 CB SER A 96 -32.130 9.803 -15.654 1.00 0.00 C ATOM 1499 OG SER A 96 -32.860 8.949 -16.517 1.00 0.00 O ATOM 0 H SER A 96 -30.781 7.206 -15.685 1.00 0.00 H new ATOM 0 HA SER A 96 -30.557 9.770 -14.245 1.00 0.00 H new ATOM 0 HB2 SER A 96 -32.823 10.366 -15.029 1.00 0.00 H new ATOM 0 HB3 SER A 96 -31.574 10.529 -16.247 1.00 0.00 H new ATOM 0 HG SER A 96 -33.469 9.484 -17.068 1.00 0.00 H new ATOM 1505 N GLY A 97 -32.604 8.741 -12.776 1.00 0.00 N ATOM 1506 CA GLY A 97 -33.345 8.008 -11.759 1.00 0.00 C ATOM 1507 C GLY A 97 -33.892 8.969 -10.705 1.00 0.00 C ATOM 1508 O GLY A 97 -33.522 10.146 -10.717 1.00 0.00 O ATOM 0 H GLY A 97 -32.722 9.752 -12.717 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -34.166 7.460 -12.222 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -32.696 7.271 -11.287 1.00 0.00 H new ATOM 1512 N PRO A 98 -34.775 8.504 -9.806 1.00 0.00 N ATOM 1513 CA PRO A 98 -35.277 9.313 -8.707 1.00 0.00 C ATOM 1514 C PRO A 98 -34.173 9.499 -7.662 1.00 0.00 C ATOM 1515 O PRO A 98 -33.485 8.539 -7.303 1.00 0.00 O ATOM 1516 CB PRO A 98 -36.472 8.533 -8.152 1.00 0.00 C ATOM 1517 CG PRO A 98 -36.113 7.075 -8.446 1.00 0.00 C ATOM 1518 CD PRO A 98 -35.332 7.160 -9.759 1.00 0.00 C ATOM 0 HA PRO A 98 -35.580 10.314 -9.013 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -36.604 8.707 -7.084 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -37.403 8.824 -8.639 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -35.511 6.641 -7.648 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -37.003 6.455 -8.548 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -34.543 6.409 -9.793 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -35.984 6.977 -10.613 1.00 0.00 H new ATOM 1526 N SER A 99 -34.028 10.725 -7.164 1.00 0.00 N ATOM 1527 CA SER A 99 -33.035 11.114 -6.172 1.00 0.00 C ATOM 1528 C SER A 99 -33.663 11.241 -4.781 1.00 0.00 C ATOM 1529 O SER A 99 -33.065 10.833 -3.784 1.00 0.00 O ATOM 1530 CB SER A 99 -32.412 12.441 -6.625 1.00 0.00 C ATOM 1531 OG SER A 99 -33.404 13.333 -7.119 1.00 0.00 O ATOM 0 H SER A 99 -34.622 11.502 -7.453 1.00 0.00 H new ATOM 0 HA SER A 99 -32.263 10.348 -6.095 1.00 0.00 H new ATOM 0 HB2 SER A 99 -31.887 12.903 -5.789 1.00 0.00 H new ATOM 0 HB3 SER A 99 -31.671 12.251 -7.401 1.00 0.00 H new ATOM 0 HG SER A 99 -32.980 14.171 -7.399 1.00 0.00 H new ATOM 1537 N SER A 100 -34.854 11.833 -4.683 1.00 0.00 N ATOM 1538 CA SER A 100 -35.622 11.995 -3.456 1.00 0.00 C ATOM 1539 C SER A 100 -37.102 12.168 -3.814 1.00 0.00 C ATOM 1540 O SER A 100 -37.448 12.318 -4.988 1.00 0.00 O ATOM 1541 CB SER A 100 -35.103 13.209 -2.671 1.00 0.00 C ATOM 1542 OG SER A 100 -33.740 13.036 -2.324 1.00 0.00 O ATOM 0 H SER A 100 -35.327 12.229 -5.495 1.00 0.00 H new ATOM 0 HA SER A 100 -35.510 11.112 -2.826 1.00 0.00 H new ATOM 0 HB2 SER A 100 -35.219 14.112 -3.270 1.00 0.00 H new ATOM 0 HB3 SER A 100 -35.699 13.346 -1.768 1.00 0.00 H new ATOM 0 HG SER A 100 -33.418 12.181 -2.678 1.00 0.00 H new ATOM 1548 N GLY A 101 -37.943 12.144 -2.789 1.00 0.00 N ATOM 1549 CA GLY A 101 -39.389 12.083 -2.799 1.00 0.00 C ATOM 1550 C GLY A 101 -39.790 11.522 -1.440 1.00 0.00 C ATOM 1551 O GLY A 101 -38.865 11.124 -0.686 1.00 0.00 O ATOM 0 H GLY A 101 -37.587 12.170 -1.834 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -39.821 13.071 -2.957 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -39.748 11.445 -3.607 1.00 0.00 H new TER 1555 GLY A 101