USER MOD reduce.3.24.130724 H: found=0, std=0, add=936, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 937 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 53 SER OG : rot 63:sc= 1.55 USER MOD Set 1.2: A 102 GLN : amide:sc= 1.33 K(o=2.9,f=1.8) USER MOD Set 2.1: A 101 GLN : amide:sc= -0.309 K(o=-0.3,f=-1.5) USER MOD Set 2.2: A 105 ASN : amide:sc= 0.00552 K(o=-0.3,f=-2.2) USER MOD Set 3.1: A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 3.2: A 82 TYR OH : rot 30:sc= 0 USER MOD Set 4.1: A 40 LYS NZ :NH3+ 171:sc= 2.88 (180deg=1.63) USER MOD Set 4.2: A 49 SER OG : rot -74:sc= 1.98 USER MOD Set 4.3: A 80 THR OG1 : rot 180:sc= 0.823 USER MOD Set 5.1: A 9 TYR OH : rot 166:sc= 0 USER MOD Set 5.2: A 13 LYS NZ :NH3+ -174:sc= 1.04 (180deg=0.986) USER MOD Set 6.1: A 1 MET CE :methyl -170:sc= -0.407 (180deg=-0.889) USER MOD Set 6.2: A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 CYS SG : rot 62:sc= 0.502 USER MOD Single : A 11 MET CE :methyl 157:sc= -0.191 (180deg=-0.748) USER MOD Single : A 18 GLN : amide:sc= -0.822 K(o=-0.82,f=-2.7) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 ASN : amide:sc= -0.0101 K(o=-0.01,f=-1.5) USER MOD Single : A 25 LYS NZ :NH3+ 170:sc= 1.28 (180deg=1.05) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 30 LYS NZ :NH3+ -155:sc= 1.25 (180deg=1.06) USER MOD Single : A 38 MET CE :methyl -173:sc= -0.559 (180deg=-0.67) USER MOD Single : A 44 ASN :FLIP amide:sc= -0.172 F(o=-1.1,f=-0.17) USER MOD Single : A 51 LYS NZ :NH3+ -167:sc=-0.000861 (180deg=-0.133) USER MOD Single : A 52 THR OG1 : rot 49:sc= 0.103 USER MOD Single : A 62 GLN : amide:sc= 0.231 X(o=0.23,f=-0.16) USER MOD Single : A 63 GLN : amide:sc= -0.0709 K(o=-0.071,f=-0.62) USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0.282 USER MOD Single : A 74 ASN : amide:sc= 0.901 K(o=0.9,f=-4.9!) USER MOD Single : A 75 LYS NZ :NH3+ -138:sc= -1.2 (180deg=-3.56!) USER MOD Single : A 77 HIS : no HD1:sc= -0.0687 X(o=-0.069,f=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot -42:sc= 0.794 USER MOD Single : A 90 SER OG : rot 15:sc= 0.482 USER MOD Single : A 91 GLN : amide:sc= -0.335 K(o=-0.34,f=-1) USER MOD Single : A 94 TYR OH : rot -164:sc= 1.27 USER MOD Single : A 99 SER OG : rot 76:sc= 0.437 USER MOD Single : A 100 TYR OH : rot 25:sc= 0.472 USER MOD Single : A 111 LYS NZ :NH3+ 170:sc= 1 (180deg=0.488) USER MOD Single : A 113 LYS NZ :NH3+ 144:sc= 0.527 (180deg=-0.122) USER MOD Single : A 117 GLN : amide:sc= 0.62 K(o=0.62,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.264 -13.307 9.024 1.00 0.00 N ATOM 2 CA MET A 1 -3.789 -11.947 8.775 1.00 0.00 C ATOM 3 C MET A 1 -4.419 -11.875 7.393 1.00 0.00 C ATOM 4 O MET A 1 -3.761 -12.148 6.390 1.00 0.00 O ATOM 5 CB MET A 1 -2.664 -10.918 8.899 1.00 0.00 C ATOM 6 CG MET A 1 -3.151 -9.478 8.874 1.00 0.00 C ATOM 7 SD MET A 1 -1.809 -8.280 9.027 1.00 0.00 S ATOM 8 CE MET A 1 -1.067 -8.789 10.578 1.00 0.00 C ATOM 0 H1 MET A 1 -2.836 -13.346 9.971 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.042 -13.995 8.967 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.545 -13.538 8.309 1.00 0.00 H new ATOM 0 HA MET A 1 -4.552 -11.722 9.520 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.123 -11.094 9.829 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.955 -11.067 8.085 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.688 -9.297 7.943 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.862 -9.326 9.686 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.341 -8.041 10.897 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.843 -8.888 11.337 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.566 -9.748 10.444 1.00 0.00 H new ATOM 20 N THR A 2 -5.694 -11.519 7.337 1.00 0.00 N ATOM 21 CA THR A 2 -6.409 -11.463 6.072 1.00 0.00 C ATOM 22 C THR A 2 -6.512 -10.030 5.560 1.00 0.00 C ATOM 23 O THR A 2 -6.207 -9.077 6.281 1.00 0.00 O ATOM 24 CB THR A 2 -7.822 -12.059 6.203 1.00 0.00 C ATOM 25 OG1 THR A 2 -8.544 -11.396 7.248 1.00 0.00 O ATOM 26 CG2 THR A 2 -7.752 -13.550 6.491 1.00 0.00 C ATOM 0 H THR A 2 -6.253 -11.265 8.151 1.00 0.00 H new ATOM 0 HA THR A 2 -5.839 -12.056 5.357 1.00 0.00 H new ATOM 0 HB THR A 2 -8.344 -11.911 5.258 1.00 0.00 H new ATOM 0 HG1 THR A 2 -9.442 -11.782 7.321 1.00 0.00 H new ATOM 0 HG21 THR A 2 -8.762 -13.951 6.580 1.00 0.00 H new ATOM 0 HG22 THR A 2 -7.232 -14.054 5.676 1.00 0.00 H new ATOM 0 HG23 THR A 2 -7.212 -13.716 7.424 1.00 0.00 H new ATOM 34 N ILE A 3 -6.959 -9.885 4.317 1.00 0.00 N ATOM 35 CA ILE A 3 -7.102 -8.574 3.694 1.00 0.00 C ATOM 36 C ILE A 3 -8.234 -7.791 4.359 1.00 0.00 C ATOM 37 O ILE A 3 -8.240 -6.564 4.346 1.00 0.00 O ATOM 38 CB ILE A 3 -7.376 -8.708 2.176 1.00 0.00 C ATOM 39 CG1 ILE A 3 -6.282 -9.554 1.508 1.00 0.00 C ATOM 40 CG2 ILE A 3 -7.467 -7.336 1.512 1.00 0.00 C ATOM 41 CD1 ILE A 3 -4.886 -8.989 1.664 1.00 0.00 C ATOM 0 H ILE A 3 -7.230 -10.665 3.718 1.00 0.00 H new ATOM 0 HA ILE A 3 -6.165 -8.033 3.829 1.00 0.00 H new ATOM 0 HB ILE A 3 -8.335 -9.210 2.048 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -6.306 -10.559 1.930 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -6.508 -9.649 0.446 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -7.660 -7.460 0.446 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -8.279 -6.766 1.964 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -6.527 -6.801 1.651 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -4.171 -9.643 1.165 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -4.843 -7.996 1.216 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -4.638 -8.920 2.723 1.00 0.00 H new ATOM 53 N SER A 4 -9.176 -8.510 4.958 1.00 0.00 N ATOM 54 CA SER A 4 -10.286 -7.887 5.668 1.00 0.00 C ATOM 55 C SER A 4 -9.764 -7.012 6.807 1.00 0.00 C ATOM 56 O SER A 4 -10.224 -5.883 6.997 1.00 0.00 O ATOM 57 CB SER A 4 -11.224 -8.967 6.211 1.00 0.00 C ATOM 58 OG SER A 4 -12.433 -8.417 6.707 1.00 0.00 O ATOM 0 H SER A 4 -9.193 -9.530 4.966 1.00 0.00 H new ATOM 0 HA SER A 4 -10.840 -7.253 4.975 1.00 0.00 H new ATOM 0 HB2 SER A 4 -11.448 -9.684 5.421 1.00 0.00 H new ATOM 0 HB3 SER A 4 -10.722 -9.517 7.007 1.00 0.00 H new ATOM 0 HG SER A 4 -13.006 -9.137 7.043 1.00 0.00 H new ATOM 64 N GLU A 5 -8.786 -7.538 7.544 1.00 0.00 N ATOM 65 CA GLU A 5 -8.153 -6.803 8.633 1.00 0.00 C ATOM 66 C GLU A 5 -7.509 -5.524 8.104 1.00 0.00 C ATOM 67 O GLU A 5 -7.664 -4.445 8.678 1.00 0.00 O ATOM 68 CB GLU A 5 -7.090 -7.672 9.307 1.00 0.00 C ATOM 69 CG GLU A 5 -7.632 -8.967 9.887 1.00 0.00 C ATOM 70 CD GLU A 5 -8.664 -8.729 10.967 1.00 0.00 C ATOM 71 OE1 GLU A 5 -8.283 -8.271 12.067 1.00 0.00 O ATOM 72 OE2 GLU A 5 -9.859 -8.997 10.723 1.00 0.00 O ATOM 0 H GLU A 5 -8.414 -8.477 7.403 1.00 0.00 H new ATOM 0 HA GLU A 5 -8.918 -6.541 9.364 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -6.313 -7.908 8.580 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -6.617 -7.098 10.104 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -8.076 -9.561 9.089 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -6.808 -9.550 10.298 1.00 0.00 H new ATOM 79 N LEU A 6 -6.795 -5.667 6.994 1.00 0.00 N ATOM 80 CA LEU A 6 -6.113 -4.558 6.354 1.00 0.00 C ATOM 81 C LEU A 6 -7.106 -3.523 5.840 1.00 0.00 C ATOM 82 O LEU A 6 -6.967 -2.333 6.114 1.00 0.00 O ATOM 83 CB LEU A 6 -5.252 -5.083 5.200 1.00 0.00 C ATOM 84 CG LEU A 6 -3.812 -5.465 5.561 1.00 0.00 C ATOM 85 CD1 LEU A 6 -3.085 -4.287 6.191 1.00 0.00 C ATOM 86 CD2 LEU A 6 -3.786 -6.667 6.493 1.00 0.00 C ATOM 0 H LEU A 6 -6.675 -6.559 6.514 1.00 0.00 H new ATOM 0 HA LEU A 6 -5.476 -4.071 7.093 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -5.744 -5.957 4.774 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -5.221 -4.323 4.420 1.00 0.00 H new ATOM 0 HG LEU A 6 -3.295 -5.737 4.641 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.065 -4.580 6.440 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.063 -3.455 5.487 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -3.606 -3.981 7.098 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.753 -6.918 6.734 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -4.325 -6.428 7.410 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -4.261 -7.517 6.004 1.00 0.00 H new ATOM 98 N LEU A 7 -8.111 -3.991 5.110 1.00 0.00 N ATOM 99 CA LEU A 7 -9.109 -3.122 4.494 1.00 0.00 C ATOM 100 C LEU A 7 -9.778 -2.241 5.545 1.00 0.00 C ATOM 101 O LEU A 7 -9.867 -1.023 5.382 1.00 0.00 O ATOM 102 CB LEU A 7 -10.157 -3.983 3.768 1.00 0.00 C ATOM 103 CG LEU A 7 -10.984 -3.286 2.673 1.00 0.00 C ATOM 104 CD1 LEU A 7 -12.019 -2.345 3.269 1.00 0.00 C ATOM 105 CD2 LEU A 7 -10.073 -2.536 1.712 1.00 0.00 C ATOM 0 H LEU A 7 -8.258 -4.984 4.928 1.00 0.00 H new ATOM 0 HA LEU A 7 -8.617 -2.470 3.773 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -9.646 -4.834 3.319 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -10.846 -4.381 4.513 1.00 0.00 H new ATOM 0 HG LEU A 7 -11.518 -4.059 2.120 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -12.584 -1.871 2.467 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -12.699 -2.909 3.907 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -11.517 -1.580 3.861 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -10.675 -2.050 0.945 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -9.507 -1.783 2.260 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -9.384 -3.237 1.242 1.00 0.00 H new ATOM 117 N GLN A 8 -10.226 -2.865 6.628 1.00 0.00 N ATOM 118 CA GLN A 8 -10.909 -2.149 7.700 1.00 0.00 C ATOM 119 C GLN A 8 -9.996 -1.090 8.318 1.00 0.00 C ATOM 120 O GLN A 8 -10.418 0.039 8.566 1.00 0.00 O ATOM 121 CB GLN A 8 -11.384 -3.125 8.779 1.00 0.00 C ATOM 122 CG GLN A 8 -12.153 -2.456 9.907 1.00 0.00 C ATOM 123 CD GLN A 8 -12.587 -3.433 10.978 1.00 0.00 C ATOM 124 OE1 GLN A 8 -13.679 -4.003 10.915 1.00 0.00 O ATOM 125 NE2 GLN A 8 -11.736 -3.635 11.970 1.00 0.00 N ATOM 0 H GLN A 8 -10.128 -3.868 6.788 1.00 0.00 H new ATOM 0 HA GLN A 8 -11.776 -1.648 7.270 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -12.017 -3.883 8.318 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -10.520 -3.642 9.196 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -11.530 -1.683 10.357 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -13.032 -1.959 9.497 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -10.843 -3.143 11.984 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -11.973 -4.283 12.721 1.00 0.00 H new ATOM 134 N TYR A 9 -8.738 -1.454 8.544 1.00 0.00 N ATOM 135 CA TYR A 9 -7.780 -0.539 9.157 1.00 0.00 C ATOM 136 C TYR A 9 -7.449 0.617 8.211 1.00 0.00 C ATOM 137 O TYR A 9 -7.194 1.737 8.651 1.00 0.00 O ATOM 138 CB TYR A 9 -6.501 -1.281 9.565 1.00 0.00 C ATOM 139 CG TYR A 9 -5.500 -0.406 10.288 1.00 0.00 C ATOM 140 CD1 TYR A 9 -5.830 0.202 11.494 1.00 0.00 C ATOM 141 CD2 TYR A 9 -4.229 -0.190 9.769 1.00 0.00 C ATOM 142 CE1 TYR A 9 -4.926 1.006 12.157 1.00 0.00 C ATOM 143 CE2 TYR A 9 -3.318 0.612 10.429 1.00 0.00 C ATOM 144 CZ TYR A 9 -3.673 1.205 11.623 1.00 0.00 C ATOM 145 OH TYR A 9 -2.773 2.013 12.279 1.00 0.00 O ATOM 0 H TYR A 9 -8.359 -2.372 8.313 1.00 0.00 H new ATOM 0 HA TYR A 9 -8.238 -0.126 10.056 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -6.767 -2.121 10.206 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -6.031 -1.696 8.673 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -6.810 0.042 11.919 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -3.949 -0.656 8.836 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -5.200 1.477 13.090 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -2.335 0.774 10.013 1.00 0.00 H new ATOM 0 HH TYR A 9 -1.877 1.873 11.908 1.00 0.00 H new ATOM 155 N CYS A 10 -7.461 0.342 6.913 1.00 0.00 N ATOM 156 CA CYS A 10 -7.205 1.372 5.912 1.00 0.00 C ATOM 157 C CYS A 10 -8.337 2.390 5.888 1.00 0.00 C ATOM 158 O CYS A 10 -8.109 3.578 5.676 1.00 0.00 O ATOM 159 CB CYS A 10 -7.022 0.747 4.528 1.00 0.00 C ATOM 160 SG CYS A 10 -5.618 -0.388 4.426 1.00 0.00 S ATOM 0 H CYS A 10 -7.645 -0.584 6.528 1.00 0.00 H new ATOM 0 HA CYS A 10 -6.283 1.887 6.182 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -7.932 0.211 4.257 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -6.890 1.542 3.794 1.00 0.00 H new ATOM 0 HG CYS A 10 -5.800 -1.378 5.248 1.00 0.00 H new ATOM 166 N MET A 11 -9.556 1.922 6.131 1.00 0.00 N ATOM 167 CA MET A 11 -10.714 2.808 6.183 1.00 0.00 C ATOM 168 C MET A 11 -10.729 3.594 7.491 1.00 0.00 C ATOM 169 O MET A 11 -11.461 4.571 7.634 1.00 0.00 O ATOM 170 CB MET A 11 -12.018 2.021 6.029 1.00 0.00 C ATOM 171 CG MET A 11 -12.187 1.374 4.660 1.00 0.00 C ATOM 172 SD MET A 11 -13.778 0.541 4.470 1.00 0.00 S ATOM 173 CE MET A 11 -14.910 1.917 4.655 1.00 0.00 C ATOM 0 H MET A 11 -9.768 0.938 6.295 1.00 0.00 H new ATOM 0 HA MET A 11 -10.636 3.508 5.351 1.00 0.00 H new ATOM 0 HB2 MET A 11 -12.056 1.246 6.794 1.00 0.00 H new ATOM 0 HB3 MET A 11 -12.859 2.690 6.211 1.00 0.00 H new ATOM 0 HG2 MET A 11 -12.087 2.137 3.888 1.00 0.00 H new ATOM 0 HG3 MET A 11 -11.384 0.654 4.502 1.00 0.00 H new ATOM 0 HE1 MET A 11 -15.859 1.675 4.176 1.00 0.00 H new ATOM 0 HE2 MET A 11 -15.077 2.111 5.715 1.00 0.00 H new ATOM 0 HE3 MET A 11 -14.484 2.804 4.187 1.00 0.00 H new ATOM 183 N ALA A 12 -9.903 3.165 8.435 1.00 0.00 N ATOM 184 CA ALA A 12 -9.771 3.854 9.711 1.00 0.00 C ATOM 185 C ALA A 12 -8.743 4.976 9.608 1.00 0.00 C ATOM 186 O ALA A 12 -8.454 5.661 10.589 1.00 0.00 O ATOM 187 CB ALA A 12 -9.387 2.870 10.806 1.00 0.00 C ATOM 0 H ALA A 12 -9.312 2.339 8.340 1.00 0.00 H new ATOM 0 HA ALA A 12 -10.733 4.296 9.969 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -9.292 3.399 11.754 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -10.158 2.104 10.894 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -8.436 2.400 10.556 1.00 0.00 H new ATOM 193 N LYS A 13 -8.182 5.145 8.418 1.00 0.00 N ATOM 194 CA LYS A 13 -7.261 6.241 8.152 1.00 0.00 C ATOM 195 C LYS A 13 -8.032 7.425 7.575 1.00 0.00 C ATOM 196 O LYS A 13 -8.511 7.367 6.439 1.00 0.00 O ATOM 197 CB LYS A 13 -6.171 5.808 7.163 1.00 0.00 C ATOM 198 CG LYS A 13 -5.322 4.634 7.630 1.00 0.00 C ATOM 199 CD LYS A 13 -4.391 5.011 8.775 1.00 0.00 C ATOM 200 CE LYS A 13 -3.477 3.850 9.140 1.00 0.00 C ATOM 201 NZ LYS A 13 -2.498 4.207 10.203 1.00 0.00 N ATOM 0 H LYS A 13 -8.350 4.534 7.619 1.00 0.00 H new ATOM 0 HA LYS A 13 -6.785 6.530 9.089 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -6.642 5.545 6.216 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.517 6.658 6.968 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -5.975 3.821 7.948 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.732 4.260 6.793 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -3.791 5.875 8.491 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.979 5.303 9.645 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -4.082 3.008 9.476 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -2.939 3.522 8.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -1.835 3.418 10.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -1.970 5.056 9.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -3.004 4.396 11.092 1.00 0.00 H new ATOM 215 N PRO A 14 -8.181 8.506 8.351 1.00 0.00 N ATOM 216 CA PRO A 14 -8.928 9.689 7.920 1.00 0.00 C ATOM 217 C PRO A 14 -8.340 10.321 6.665 1.00 0.00 C ATOM 218 O PRO A 14 -7.222 10.836 6.679 1.00 0.00 O ATOM 219 CB PRO A 14 -8.814 10.649 9.108 1.00 0.00 C ATOM 220 CG PRO A 14 -8.463 9.785 10.269 1.00 0.00 C ATOM 221 CD PRO A 14 -7.639 8.662 9.710 1.00 0.00 C ATOM 0 HA PRO A 14 -9.957 9.441 7.659 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -8.048 11.405 8.933 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -9.751 11.178 9.279 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -7.903 10.345 11.018 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -9.360 9.406 10.759 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -6.577 8.907 9.696 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -7.748 7.750 10.296 1.00 0.00 H new ATOM 229 N GLY A 15 -9.087 10.249 5.572 1.00 0.00 N ATOM 230 CA GLY A 15 -8.635 10.835 4.328 1.00 0.00 C ATOM 231 C GLY A 15 -8.347 9.788 3.275 1.00 0.00 C ATOM 232 O GLY A 15 -8.186 10.109 2.099 1.00 0.00 O ATOM 0 H GLY A 15 -9.999 9.794 5.526 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -9.394 11.523 3.956 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -7.735 11.422 4.511 1.00 0.00 H new ATOM 236 N ALA A 16 -8.278 8.538 3.698 1.00 0.00 N ATOM 237 CA ALA A 16 -8.038 7.440 2.779 1.00 0.00 C ATOM 238 C ALA A 16 -9.346 6.749 2.420 1.00 0.00 C ATOM 239 O ALA A 16 -10.130 6.374 3.296 1.00 0.00 O ATOM 240 CB ALA A 16 -7.057 6.447 3.388 1.00 0.00 C ATOM 0 H ALA A 16 -8.385 8.258 4.673 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.601 7.841 1.864 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.886 5.629 2.688 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -6.113 6.950 3.596 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -7.469 6.051 4.316 1.00 0.00 H new ATOM 246 N GLU A 17 -9.589 6.597 1.132 1.00 0.00 N ATOM 247 CA GLU A 17 -10.784 5.925 0.664 1.00 0.00 C ATOM 248 C GLU A 17 -10.399 4.784 -0.264 1.00 0.00 C ATOM 249 O GLU A 17 -9.395 4.859 -0.970 1.00 0.00 O ATOM 250 CB GLU A 17 -11.715 6.917 -0.040 1.00 0.00 C ATOM 251 CG GLU A 17 -13.056 6.330 -0.446 1.00 0.00 C ATOM 252 CD GLU A 17 -13.767 5.645 0.705 1.00 0.00 C ATOM 253 OE1 GLU A 17 -14.403 6.344 1.522 1.00 0.00 O ATOM 254 OE2 GLU A 17 -13.708 4.401 0.784 1.00 0.00 O ATOM 0 H GLU A 17 -8.973 6.931 0.391 1.00 0.00 H new ATOM 0 HA GLU A 17 -11.322 5.512 1.518 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -11.888 7.767 0.620 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -11.214 7.300 -0.929 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -13.691 7.124 -0.840 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -12.905 5.613 -1.253 1.00 0.00 H new ATOM 261 N GLN A 18 -11.186 3.725 -0.255 1.00 0.00 N ATOM 262 CA GLN A 18 -10.866 2.549 -1.034 1.00 0.00 C ATOM 263 C GLN A 18 -11.841 2.380 -2.190 1.00 0.00 C ATOM 264 O GLN A 18 -12.978 2.849 -2.140 1.00 0.00 O ATOM 265 CB GLN A 18 -10.846 1.296 -0.141 1.00 0.00 C ATOM 266 CG GLN A 18 -12.126 1.055 0.656 1.00 0.00 C ATOM 267 CD GLN A 18 -13.254 0.462 -0.171 1.00 0.00 C ATOM 268 OE1 GLN A 18 -13.023 -0.287 -1.120 1.00 0.00 O ATOM 269 NE2 GLN A 18 -14.484 0.801 0.179 1.00 0.00 N ATOM 0 H GLN A 18 -12.050 3.657 0.283 1.00 0.00 H new ATOM 0 HA GLN A 18 -9.870 2.681 -1.456 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -10.655 0.424 -0.767 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -10.011 1.377 0.555 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -11.906 0.386 1.488 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -12.460 1.999 1.086 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -14.635 1.425 0.972 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -15.281 0.439 -0.344 1.00 0.00 H new ATOM 278 N SER A 19 -11.368 1.752 -3.248 1.00 0.00 N ATOM 279 CA SER A 19 -12.217 1.369 -4.358 1.00 0.00 C ATOM 280 C SER A 19 -11.834 -0.028 -4.831 1.00 0.00 C ATOM 281 O SER A 19 -10.803 -0.217 -5.483 1.00 0.00 O ATOM 282 CB SER A 19 -12.092 2.380 -5.503 1.00 0.00 C ATOM 283 OG SER A 19 -12.450 3.685 -5.074 1.00 0.00 O ATOM 0 H SER A 19 -10.388 1.494 -3.362 1.00 0.00 H new ATOM 0 HA SER A 19 -13.256 1.361 -4.028 1.00 0.00 H new ATOM 0 HB2 SER A 19 -11.068 2.385 -5.878 1.00 0.00 H new ATOM 0 HB3 SER A 19 -12.733 2.077 -6.331 1.00 0.00 H new ATOM 0 HG SER A 19 -12.360 4.311 -5.822 1.00 0.00 H new ATOM 289 N VAL A 20 -12.649 -1.006 -4.471 1.00 0.00 N ATOM 290 CA VAL A 20 -12.404 -2.379 -4.870 1.00 0.00 C ATOM 291 C VAL A 20 -13.234 -2.738 -6.095 1.00 0.00 C ATOM 292 O VAL A 20 -14.455 -2.576 -6.111 1.00 0.00 O ATOM 293 CB VAL A 20 -12.689 -3.378 -3.719 1.00 0.00 C ATOM 294 CG1 VAL A 20 -14.076 -3.163 -3.127 1.00 0.00 C ATOM 295 CG2 VAL A 20 -12.528 -4.816 -4.198 1.00 0.00 C ATOM 0 H VAL A 20 -13.486 -0.873 -3.903 1.00 0.00 H new ATOM 0 HA VAL A 20 -11.346 -2.457 -5.121 1.00 0.00 H new ATOM 0 HB VAL A 20 -11.958 -3.192 -2.932 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -14.243 -3.880 -2.323 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -14.150 -2.150 -2.732 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -14.829 -3.305 -3.902 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -12.733 -5.499 -3.374 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -13.227 -5.009 -5.012 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -11.509 -4.970 -4.552 1.00 0.00 H new ATOM 305 N HIS A 21 -12.558 -3.182 -7.135 1.00 0.00 N ATOM 306 CA HIS A 21 -13.231 -3.672 -8.322 1.00 0.00 C ATOM 307 C HIS A 21 -13.075 -5.184 -8.363 1.00 0.00 C ATOM 308 O HIS A 21 -12.037 -5.701 -8.783 1.00 0.00 O ATOM 309 CB HIS A 21 -12.645 -3.023 -9.582 1.00 0.00 C ATOM 310 CG HIS A 21 -13.523 -3.139 -10.793 1.00 0.00 C ATOM 311 ND1 HIS A 21 -14.170 -2.057 -11.356 1.00 0.00 N ATOM 312 CD2 HIS A 21 -13.850 -4.207 -11.558 1.00 0.00 C ATOM 313 CE1 HIS A 21 -14.852 -2.458 -12.411 1.00 0.00 C ATOM 314 NE2 HIS A 21 -14.676 -3.754 -12.556 1.00 0.00 N ATOM 0 H HIS A 21 -11.540 -3.214 -7.183 1.00 0.00 H new ATOM 0 HA HIS A 21 -14.289 -3.412 -8.289 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -12.458 -1.968 -9.381 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -11.681 -3.482 -9.800 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -13.522 -5.225 -11.410 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -15.454 -1.828 -13.049 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -15.087 -4.329 -13.291 1.00 0.00 H new ATOM 323 N ASN A 22 -14.090 -5.891 -7.887 1.00 0.00 N ATOM 324 CA ASN A 22 -13.983 -7.330 -7.697 1.00 0.00 C ATOM 325 C ASN A 22 -13.842 -8.060 -9.024 1.00 0.00 C ATOM 326 O ASN A 22 -14.574 -7.796 -9.977 1.00 0.00 O ATOM 327 CB ASN A 22 -15.173 -7.884 -6.914 1.00 0.00 C ATOM 328 CG ASN A 22 -14.975 -9.346 -6.551 1.00 0.00 C ATOM 329 OD1 ASN A 22 -13.841 -9.812 -6.403 1.00 0.00 O ATOM 330 ND2 ASN A 22 -16.067 -10.071 -6.389 1.00 0.00 N ATOM 0 H ASN A 22 -14.993 -5.494 -7.626 1.00 0.00 H new ATOM 0 HA ASN A 22 -13.079 -7.504 -7.113 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -15.315 -7.299 -6.005 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -16.081 -7.776 -7.507 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -15.992 -11.055 -6.132 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -16.985 -9.647 -6.521 1.00 0.00 H new ATOM 337 N ASP A 23 -12.886 -8.976 -9.046 1.00 0.00 N ATOM 338 CA ASP A 23 -12.525 -9.759 -10.225 1.00 0.00 C ATOM 339 C ASP A 23 -11.284 -10.556 -9.868 1.00 0.00 C ATOM 340 O ASP A 23 -11.197 -11.761 -10.099 1.00 0.00 O ATOM 341 CB ASP A 23 -12.237 -8.858 -11.435 1.00 0.00 C ATOM 342 CG ASP A 23 -12.022 -9.645 -12.715 1.00 0.00 C ATOM 343 OD1 ASP A 23 -13.024 -10.061 -13.336 1.00 0.00 O ATOM 344 OD2 ASP A 23 -10.855 -9.844 -13.112 1.00 0.00 O ATOM 0 H ASP A 23 -12.324 -9.203 -8.226 1.00 0.00 H new ATOM 0 HA ASP A 23 -13.353 -10.411 -10.503 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -13.068 -8.167 -11.574 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -11.352 -8.255 -11.231 1.00 0.00 H new ATOM 349 N TRP A 24 -10.335 -9.848 -9.270 1.00 0.00 N ATOM 350 CA TRP A 24 -9.140 -10.450 -8.697 1.00 0.00 C ATOM 351 C TRP A 24 -8.744 -9.683 -7.432 1.00 0.00 C ATOM 352 O TRP A 24 -7.567 -9.580 -7.081 1.00 0.00 O ATOM 353 CB TRP A 24 -7.996 -10.485 -9.727 1.00 0.00 C ATOM 354 CG TRP A 24 -7.562 -9.144 -10.250 1.00 0.00 C ATOM 355 CD1 TRP A 24 -8.336 -8.204 -10.875 1.00 0.00 C ATOM 356 CD2 TRP A 24 -6.232 -8.614 -10.228 1.00 0.00 C ATOM 357 NE1 TRP A 24 -7.569 -7.117 -11.222 1.00 0.00 N ATOM 358 CE2 TRP A 24 -6.274 -7.346 -10.839 1.00 0.00 C ATOM 359 CE3 TRP A 24 -5.009 -9.089 -9.745 1.00 0.00 C ATOM 360 CZ2 TRP A 24 -5.140 -6.547 -10.977 1.00 0.00 C ATOM 361 CZ3 TRP A 24 -3.885 -8.295 -9.884 1.00 0.00 C ATOM 362 CH2 TRP A 24 -3.957 -7.037 -10.496 1.00 0.00 C ATOM 0 H TRP A 24 -10.374 -8.834 -9.169 1.00 0.00 H new ATOM 0 HA TRP A 24 -9.349 -11.484 -8.423 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -7.135 -10.976 -9.273 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -8.307 -11.102 -10.570 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -9.394 -8.302 -11.067 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -7.909 -6.276 -11.689 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -4.943 -10.058 -9.272 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -5.194 -5.576 -11.447 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -2.935 -8.651 -9.514 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -3.061 -6.442 -10.590 1.00 0.00 H new ATOM 373 N LYS A 25 -9.771 -9.177 -6.739 1.00 0.00 N ATOM 374 CA LYS A 25 -9.608 -8.401 -5.504 1.00 0.00 C ATOM 375 C LYS A 25 -8.748 -7.158 -5.713 1.00 0.00 C ATOM 376 O LYS A 25 -7.938 -6.810 -4.860 1.00 0.00 O ATOM 377 CB LYS A 25 -9.009 -9.255 -4.377 1.00 0.00 C ATOM 378 CG LYS A 25 -9.966 -10.277 -3.779 1.00 0.00 C ATOM 379 CD LYS A 25 -9.937 -11.599 -4.526 1.00 0.00 C ATOM 380 CE LYS A 25 -10.781 -12.643 -3.814 1.00 0.00 C ATOM 381 NZ LYS A 25 -10.559 -14.007 -4.355 1.00 0.00 N ATOM 0 H LYS A 25 -10.744 -9.295 -7.021 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.608 -8.080 -5.214 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -8.133 -9.778 -4.762 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.662 -8.594 -3.583 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.706 -10.447 -2.734 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.979 -9.875 -3.795 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -10.308 -11.456 -5.541 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -8.909 -11.952 -4.609 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.546 -12.633 -2.750 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.835 -12.383 -3.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -11.020 -14.705 -3.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -10.963 -14.071 -5.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -9.538 -14.202 -4.397 1.00 0.00 H new ATOM 395 N ALA A 26 -8.944 -6.475 -6.832 1.00 0.00 N ATOM 396 CA ALA A 26 -8.211 -5.248 -7.100 1.00 0.00 C ATOM 397 C ALA A 26 -8.774 -4.093 -6.275 1.00 0.00 C ATOM 398 O ALA A 26 -9.785 -3.492 -6.644 1.00 0.00 O ATOM 399 CB ALA A 26 -8.250 -4.913 -8.584 1.00 0.00 C ATOM 0 H ALA A 26 -9.600 -6.748 -7.564 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.172 -5.402 -6.810 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -7.696 -3.992 -8.764 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -7.797 -5.725 -9.152 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -9.285 -4.782 -8.900 1.00 0.00 H new ATOM 405 N THR A 27 -8.137 -3.807 -5.148 1.00 0.00 N ATOM 406 CA THR A 27 -8.593 -2.740 -4.276 1.00 0.00 C ATOM 407 C THR A 27 -7.624 -1.562 -4.320 1.00 0.00 C ATOM 408 O THR A 27 -6.450 -1.697 -3.967 1.00 0.00 O ATOM 409 CB THR A 27 -8.728 -3.237 -2.826 1.00 0.00 C ATOM 410 OG1 THR A 27 -9.418 -4.494 -2.807 1.00 0.00 O ATOM 411 CG2 THR A 27 -9.485 -2.225 -1.975 1.00 0.00 C ATOM 0 H THR A 27 -7.306 -4.299 -4.819 1.00 0.00 H new ATOM 0 HA THR A 27 -9.571 -2.415 -4.631 1.00 0.00 H new ATOM 0 HB THR A 27 -7.728 -3.361 -2.410 1.00 0.00 H new ATOM 0 HG1 THR A 27 -9.500 -4.808 -1.882 1.00 0.00 H new ATOM 0 HG21 THR A 27 -9.568 -2.598 -0.954 1.00 0.00 H new ATOM 0 HG22 THR A 27 -8.947 -1.277 -1.972 1.00 0.00 H new ATOM 0 HG23 THR A 27 -10.482 -2.075 -2.389 1.00 0.00 H new ATOM 419 N GLN A 28 -8.114 -0.414 -4.761 1.00 0.00 N ATOM 420 CA GLN A 28 -7.297 0.783 -4.845 1.00 0.00 C ATOM 421 C GLN A 28 -7.561 1.691 -3.649 1.00 0.00 C ATOM 422 O GLN A 28 -8.660 2.221 -3.495 1.00 0.00 O ATOM 423 CB GLN A 28 -7.585 1.539 -6.145 1.00 0.00 C ATOM 424 CG GLN A 28 -7.347 0.714 -7.402 1.00 0.00 C ATOM 425 CD GLN A 28 -7.628 1.491 -8.674 1.00 0.00 C ATOM 426 OE1 GLN A 28 -8.465 2.398 -8.694 1.00 0.00 O ATOM 427 NE2 GLN A 28 -6.944 1.135 -9.749 1.00 0.00 N ATOM 0 H GLN A 28 -9.079 -0.287 -5.067 1.00 0.00 H new ATOM 0 HA GLN A 28 -6.249 0.483 -4.837 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -8.621 1.878 -6.135 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -6.958 2.430 -6.183 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -6.314 0.367 -7.414 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -7.981 -0.173 -7.375 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -6.261 0.380 -9.692 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -7.100 1.616 -10.635 1.00 0.00 H new ATOM 436 N ILE A 29 -6.559 1.848 -2.798 1.00 0.00 N ATOM 437 CA ILE A 29 -6.665 2.721 -1.639 1.00 0.00 C ATOM 438 C ILE A 29 -6.012 4.058 -1.957 1.00 0.00 C ATOM 439 O ILE A 29 -4.802 4.131 -2.183 1.00 0.00 O ATOM 440 CB ILE A 29 -5.990 2.096 -0.400 1.00 0.00 C ATOM 441 CG1 ILE A 29 -6.513 0.671 -0.178 1.00 0.00 C ATOM 442 CG2 ILE A 29 -6.246 2.955 0.831 1.00 0.00 C ATOM 443 CD1 ILE A 29 -5.779 -0.089 0.907 1.00 0.00 C ATOM 0 H ILE A 29 -5.658 1.379 -2.889 1.00 0.00 H new ATOM 0 HA ILE A 29 -7.721 2.863 -1.411 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.914 2.050 -0.571 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -7.572 0.719 0.078 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -6.435 0.116 -1.113 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.764 2.502 1.697 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -5.838 3.953 0.669 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -7.319 3.026 1.009 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -6.206 -1.087 1.005 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -4.724 -0.170 0.645 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -5.878 0.442 1.854 1.00 0.00 H new ATOM 455 N LYS A 30 -6.810 5.112 -1.991 1.00 0.00 N ATOM 456 CA LYS A 30 -6.328 6.395 -2.462 1.00 0.00 C ATOM 457 C LYS A 30 -7.029 7.554 -1.769 1.00 0.00 C ATOM 458 O LYS A 30 -8.010 7.369 -1.053 1.00 0.00 O ATOM 459 CB LYS A 30 -6.536 6.500 -3.976 1.00 0.00 C ATOM 460 CG LYS A 30 -7.985 6.339 -4.403 1.00 0.00 C ATOM 461 CD LYS A 30 -8.132 6.369 -5.916 1.00 0.00 C ATOM 462 CE LYS A 30 -9.585 6.221 -6.333 1.00 0.00 C ATOM 463 NZ LYS A 30 -9.749 6.208 -7.810 1.00 0.00 N ATOM 0 H LYS A 30 -7.788 5.103 -1.700 1.00 0.00 H new ATOM 0 HA LYS A 30 -5.266 6.458 -2.224 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -6.170 7.468 -4.318 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -5.933 5.739 -4.471 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -8.375 5.397 -4.018 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -8.585 7.136 -3.963 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -7.734 7.307 -6.304 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -7.541 5.566 -6.357 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -9.988 5.298 -5.917 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -10.167 7.041 -5.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -10.708 6.527 -8.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -9.051 6.846 -8.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -9.603 5.242 -8.167 1.00 0.00 H new ATOM 477 N VAL A 31 -6.490 8.746 -1.980 1.00 0.00 N ATOM 478 CA VAL A 31 -7.128 9.985 -1.550 1.00 0.00 C ATOM 479 C VAL A 31 -8.065 10.456 -2.663 1.00 0.00 C ATOM 480 O VAL A 31 -8.868 9.667 -3.160 1.00 0.00 O ATOM 481 CB VAL A 31 -6.087 11.083 -1.227 1.00 0.00 C ATOM 482 CG1 VAL A 31 -6.676 12.122 -0.284 1.00 0.00 C ATOM 483 CG2 VAL A 31 -4.822 10.474 -0.632 1.00 0.00 C ATOM 0 H VAL A 31 -5.597 8.883 -2.454 1.00 0.00 H new ATOM 0 HA VAL A 31 -7.688 9.796 -0.634 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.819 11.579 -2.160 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.927 12.885 -0.070 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -7.544 12.587 -0.751 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -6.979 11.640 0.645 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -4.105 11.266 -0.413 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.071 9.945 0.288 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.384 9.775 -1.345 1.00 0.00 H new ATOM 493 N GLU A 32 -7.978 11.737 -3.029 1.00 0.00 N ATOM 494 CA GLU A 32 -8.694 12.281 -4.191 1.00 0.00 C ATOM 495 C GLU A 32 -8.684 11.268 -5.335 1.00 0.00 C ATOM 496 O GLU A 32 -9.722 10.746 -5.742 1.00 0.00 O ATOM 497 CB GLU A 32 -8.012 13.564 -4.670 1.00 0.00 C ATOM 498 CG GLU A 32 -7.921 14.660 -3.623 1.00 0.00 C ATOM 499 CD GLU A 32 -9.244 15.345 -3.371 1.00 0.00 C ATOM 500 OE1 GLU A 32 -9.812 15.914 -4.330 1.00 0.00 O ATOM 501 OE2 GLU A 32 -9.706 15.349 -2.216 1.00 0.00 O ATOM 0 H GLU A 32 -7.413 12.426 -2.532 1.00 0.00 H new ATOM 0 HA GLU A 32 -9.721 12.494 -3.895 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -7.006 13.320 -5.010 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.555 13.948 -5.533 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.555 14.234 -2.689 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.189 15.401 -3.943 1.00 0.00 H new ATOM 508 N ASP A 33 -7.489 11.020 -5.851 1.00 0.00 N ATOM 509 CA ASP A 33 -7.255 9.930 -6.786 1.00 0.00 C ATOM 510 C ASP A 33 -5.792 9.514 -6.679 1.00 0.00 C ATOM 511 O ASP A 33 -5.234 8.870 -7.565 1.00 0.00 O ATOM 512 CB ASP A 33 -7.604 10.348 -8.219 1.00 0.00 C ATOM 513 CG ASP A 33 -7.683 9.161 -9.168 1.00 0.00 C ATOM 514 OD1 ASP A 33 -8.583 8.309 -8.991 1.00 0.00 O ATOM 515 OD2 ASP A 33 -6.865 9.088 -10.111 1.00 0.00 O ATOM 0 H ASP A 33 -6.656 11.567 -5.634 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.898 9.086 -6.536 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.559 10.873 -8.219 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -6.854 11.051 -8.582 1.00 0.00 H new ATOM 520 N VAL A 34 -5.181 9.888 -5.558 1.00 0.00 N ATOM 521 CA VAL A 34 -3.774 9.613 -5.318 1.00 0.00 C ATOM 522 C VAL A 34 -3.600 8.182 -4.834 1.00 0.00 C ATOM 523 O VAL A 34 -3.758 7.899 -3.646 1.00 0.00 O ATOM 524 CB VAL A 34 -3.175 10.575 -4.268 1.00 0.00 C ATOM 525 CG1 VAL A 34 -1.674 10.368 -4.145 1.00 0.00 C ATOM 526 CG2 VAL A 34 -3.497 12.026 -4.607 1.00 0.00 C ATOM 0 H VAL A 34 -5.646 10.386 -4.799 1.00 0.00 H new ATOM 0 HA VAL A 34 -3.247 9.759 -6.261 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.631 10.349 -3.304 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.272 11.055 -3.401 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.472 9.342 -3.838 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.200 10.559 -5.108 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.063 12.681 -3.851 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.080 12.273 -5.584 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -4.578 12.163 -4.629 1.00 0.00 H new ATOM 536 N LEU A 35 -3.316 7.282 -5.761 1.00 0.00 N ATOM 537 CA LEU A 35 -3.145 5.877 -5.433 1.00 0.00 C ATOM 538 C LEU A 35 -1.762 5.632 -4.847 1.00 0.00 C ATOM 539 O LEU A 35 -0.768 5.587 -5.570 1.00 0.00 O ATOM 540 CB LEU A 35 -3.358 5.011 -6.679 1.00 0.00 C ATOM 541 CG LEU A 35 -3.240 3.502 -6.456 1.00 0.00 C ATOM 542 CD1 LEU A 35 -4.272 3.030 -5.447 1.00 0.00 C ATOM 543 CD2 LEU A 35 -3.397 2.753 -7.773 1.00 0.00 C ATOM 0 H LEU A 35 -3.199 7.501 -6.750 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.890 5.602 -4.686 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.347 5.225 -7.085 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.632 5.307 -7.436 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.248 3.290 -6.057 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.173 1.954 -5.301 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.113 3.541 -4.497 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.272 3.255 -5.817 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.310 1.681 -7.595 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.375 2.971 -8.201 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.618 3.070 -8.467 1.00 0.00 H new ATOM 555 N PHE A 36 -1.702 5.502 -3.533 1.00 0.00 N ATOM 556 CA PHE A 36 -0.435 5.271 -2.854 1.00 0.00 C ATOM 557 C PHE A 36 -0.218 3.785 -2.583 1.00 0.00 C ATOM 558 O PHE A 36 0.920 3.321 -2.513 1.00 0.00 O ATOM 559 CB PHE A 36 -0.359 6.074 -1.548 1.00 0.00 C ATOM 560 CG PHE A 36 -1.520 5.864 -0.611 1.00 0.00 C ATOM 561 CD1 PHE A 36 -1.487 4.864 0.350 1.00 0.00 C ATOM 562 CD2 PHE A 36 -2.642 6.673 -0.687 1.00 0.00 C ATOM 563 CE1 PHE A 36 -2.546 4.681 1.217 1.00 0.00 C ATOM 564 CE2 PHE A 36 -3.705 6.493 0.175 1.00 0.00 C ATOM 565 CZ PHE A 36 -3.658 5.494 1.127 1.00 0.00 C ATOM 0 H PHE A 36 -2.512 5.552 -2.915 1.00 0.00 H new ATOM 0 HA PHE A 36 0.362 5.614 -3.514 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.562 5.810 -1.028 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -0.294 7.134 -1.793 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.622 4.221 0.421 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.686 7.455 -1.431 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.504 3.903 1.965 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -4.572 7.133 0.105 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.490 5.349 1.800 1.00 0.00 H new ATOM 575 N ALA A 37 -1.309 3.045 -2.442 1.00 0.00 N ATOM 576 CA ALA A 37 -1.231 1.618 -2.175 1.00 0.00 C ATOM 577 C ALA A 37 -2.450 0.899 -2.731 1.00 0.00 C ATOM 578 O ALA A 37 -3.584 1.328 -2.529 1.00 0.00 O ATOM 579 CB ALA A 37 -1.100 1.357 -0.681 1.00 0.00 C ATOM 0 H ALA A 37 -2.259 3.411 -2.508 1.00 0.00 H new ATOM 0 HA ALA A 37 -0.343 1.229 -2.674 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.043 0.283 -0.503 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -0.195 1.835 -0.306 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -1.968 1.765 -0.163 1.00 0.00 H new ATOM 585 N MET A 38 -2.213 -0.190 -3.443 1.00 0.00 N ATOM 586 CA MET A 38 -3.297 -0.987 -4.002 1.00 0.00 C ATOM 587 C MET A 38 -3.076 -2.468 -3.730 1.00 0.00 C ATOM 588 O MET A 38 -2.060 -3.042 -4.132 1.00 0.00 O ATOM 589 CB MET A 38 -3.443 -0.740 -5.508 1.00 0.00 C ATOM 590 CG MET A 38 -2.129 -0.751 -6.271 1.00 0.00 C ATOM 591 SD MET A 38 -2.373 -0.957 -8.044 1.00 0.00 S ATOM 592 CE MET A 38 -0.735 -0.569 -8.661 1.00 0.00 C ATOM 0 H MET A 38 -1.279 -0.544 -3.649 1.00 0.00 H new ATOM 0 HA MET A 38 -4.221 -0.679 -3.513 1.00 0.00 H new ATOM 0 HB2 MET A 38 -4.100 -1.501 -5.928 1.00 0.00 H new ATOM 0 HB3 MET A 38 -3.931 0.222 -5.661 1.00 0.00 H new ATOM 0 HG2 MET A 38 -1.595 0.181 -6.085 1.00 0.00 H new ATOM 0 HG3 MET A 38 -1.500 -1.559 -5.896 1.00 0.00 H new ATOM 0 HE1 MET A 38 -0.756 -0.531 -9.750 1.00 0.00 H new ATOM 0 HE2 MET A 38 -0.419 0.398 -8.270 1.00 0.00 H new ATOM 0 HE3 MET A 38 -0.033 -1.338 -8.338 1.00 0.00 H new ATOM 602 N VAL A 39 -4.036 -3.083 -3.062 1.00 0.00 N ATOM 603 CA VAL A 39 -3.926 -4.476 -2.656 1.00 0.00 C ATOM 604 C VAL A 39 -4.750 -5.379 -3.571 1.00 0.00 C ATOM 605 O VAL A 39 -5.837 -5.004 -4.010 1.00 0.00 O ATOM 606 CB VAL A 39 -4.376 -4.660 -1.186 1.00 0.00 C ATOM 607 CG1 VAL A 39 -5.855 -4.337 -1.009 1.00 0.00 C ATOM 608 CG2 VAL A 39 -4.061 -6.066 -0.694 1.00 0.00 C ATOM 0 H VAL A 39 -4.910 -2.635 -2.786 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.877 -4.762 -2.738 1.00 0.00 H new ATOM 0 HB VAL A 39 -3.812 -3.953 -0.578 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.136 -4.477 0.035 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.039 -3.302 -1.298 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.450 -5.000 -1.637 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.386 -6.171 0.341 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.584 -6.794 -1.314 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.987 -6.241 -0.756 1.00 0.00 H new ATOM 618 N LYS A 40 -4.198 -6.543 -3.892 1.00 0.00 N ATOM 619 CA LYS A 40 -4.884 -7.532 -4.716 1.00 0.00 C ATOM 620 C LYS A 40 -4.646 -8.932 -4.156 1.00 0.00 C ATOM 621 O LYS A 40 -3.706 -9.150 -3.387 1.00 0.00 O ATOM 622 CB LYS A 40 -4.400 -7.490 -6.175 1.00 0.00 C ATOM 623 CG LYS A 40 -4.884 -6.294 -6.990 1.00 0.00 C ATOM 624 CD LYS A 40 -4.071 -5.036 -6.715 1.00 0.00 C ATOM 625 CE LYS A 40 -2.596 -5.242 -7.023 1.00 0.00 C ATOM 626 NZ LYS A 40 -1.798 -4.022 -6.737 1.00 0.00 N ATOM 0 H LYS A 40 -3.266 -6.828 -3.590 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.947 -7.293 -4.697 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -3.310 -7.494 -6.179 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -4.724 -8.403 -6.674 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -4.828 -6.535 -8.052 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -5.933 -6.103 -6.762 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -4.457 -4.214 -7.317 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -4.188 -4.748 -5.670 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -2.214 -6.074 -6.431 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -2.478 -5.516 -8.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -0.785 -4.244 -6.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -2.041 -3.279 -7.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -2.008 -3.687 -5.775 1.00 0.00 H new ATOM 640 N GLU A 41 -5.490 -9.872 -4.549 1.00 0.00 N ATOM 641 CA GLU A 41 -5.317 -11.268 -4.174 1.00 0.00 C ATOM 642 C GLU A 41 -5.301 -12.107 -5.441 1.00 0.00 C ATOM 643 O GLU A 41 -6.298 -12.176 -6.165 1.00 0.00 O ATOM 644 CB GLU A 41 -6.437 -11.713 -3.215 1.00 0.00 C ATOM 645 CG GLU A 41 -6.286 -13.130 -2.662 1.00 0.00 C ATOM 646 CD GLU A 41 -6.792 -14.207 -3.606 1.00 0.00 C ATOM 647 OE1 GLU A 41 -8.024 -14.359 -3.736 1.00 0.00 O ATOM 648 OE2 GLU A 41 -5.962 -14.898 -4.229 1.00 0.00 O ATOM 0 H GLU A 41 -6.308 -9.693 -5.132 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.373 -11.401 -3.645 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -6.478 -11.015 -2.379 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -7.391 -11.642 -3.737 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -5.235 -13.315 -2.442 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.826 -13.202 -1.718 1.00 0.00 H new ATOM 655 N VAL A 42 -4.162 -12.709 -5.733 1.00 0.00 N ATOM 656 CA VAL A 42 -4.017 -13.484 -6.949 1.00 0.00 C ATOM 657 C VAL A 42 -3.597 -14.918 -6.642 1.00 0.00 C ATOM 658 O VAL A 42 -2.469 -15.177 -6.216 1.00 0.00 O ATOM 659 CB VAL A 42 -3.021 -12.820 -7.939 1.00 0.00 C ATOM 660 CG1 VAL A 42 -1.674 -12.549 -7.281 1.00 0.00 C ATOM 661 CG2 VAL A 42 -2.847 -13.671 -9.192 1.00 0.00 C ATOM 0 H VAL A 42 -3.328 -12.676 -5.147 1.00 0.00 H new ATOM 0 HA VAL A 42 -4.994 -13.511 -7.431 1.00 0.00 H new ATOM 0 HB VAL A 42 -3.445 -11.860 -8.233 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.003 -12.084 -8.003 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.812 -11.880 -6.431 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.242 -13.488 -6.937 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.145 -13.183 -9.868 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.462 -14.652 -8.915 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.810 -13.786 -9.690 1.00 0.00 H new ATOM 671 N GLU A 43 -4.539 -15.834 -6.822 1.00 0.00 N ATOM 672 CA GLU A 43 -4.279 -17.266 -6.715 1.00 0.00 C ATOM 673 C GLU A 43 -3.767 -17.631 -5.320 1.00 0.00 C ATOM 674 O GLU A 43 -2.769 -18.346 -5.178 1.00 0.00 O ATOM 675 CB GLU A 43 -3.276 -17.688 -7.790 1.00 0.00 C ATOM 676 CG GLU A 43 -3.295 -19.174 -8.107 1.00 0.00 C ATOM 677 CD GLU A 43 -2.376 -19.527 -9.254 1.00 0.00 C ATOM 678 OE1 GLU A 43 -2.501 -18.906 -10.331 1.00 0.00 O ATOM 679 OE2 GLU A 43 -1.516 -20.422 -9.084 1.00 0.00 O ATOM 0 H GLU A 43 -5.507 -15.606 -7.047 1.00 0.00 H new ATOM 0 HA GLU A 43 -5.214 -17.804 -6.871 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.482 -17.130 -8.703 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -2.273 -17.409 -7.466 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -2.999 -19.736 -7.221 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -4.313 -19.478 -8.353 1.00 0.00 H new ATOM 686 N ASN A 44 -4.454 -17.111 -4.301 1.00 0.00 N ATOM 687 CA ASN A 44 -4.166 -17.420 -2.892 1.00 0.00 C ATOM 688 C ASN A 44 -2.960 -16.615 -2.397 1.00 0.00 C ATOM 689 O ASN A 44 -2.533 -16.749 -1.251 1.00 0.00 O ATOM 690 CB ASN A 44 -3.938 -18.932 -2.690 1.00 0.00 C ATOM 691 CG ASN A 44 -3.850 -19.353 -1.230 1.00 0.00 C ATOM 692 OD1 ASN A 44 -4.614 -18.703 -0.363 1.00 0.00 O flip ATOM 693 ND2 ASN A 44 -3.108 -20.274 -0.888 1.00 0.00 N flip ATOM 0 H ASN A 44 -5.230 -16.461 -4.427 1.00 0.00 H new ATOM 0 HA ASN A 44 -5.035 -17.132 -2.300 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -4.751 -19.479 -3.167 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -3.018 -19.222 -3.198 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -2.534 -20.752 -1.583 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -3.067 -20.560 0.090 1.00 0.00 H new ATOM 700 N ARG A 45 -2.424 -15.767 -3.260 1.00 0.00 N ATOM 701 CA ARG A 45 -1.296 -14.921 -2.896 1.00 0.00 C ATOM 702 C ARG A 45 -1.721 -13.465 -2.752 1.00 0.00 C ATOM 703 O ARG A 45 -2.022 -12.792 -3.740 1.00 0.00 O ATOM 704 CB ARG A 45 -0.167 -15.039 -3.927 1.00 0.00 C ATOM 705 CG ARG A 45 0.971 -15.943 -3.482 1.00 0.00 C ATOM 706 CD ARG A 45 0.511 -17.378 -3.290 1.00 0.00 C ATOM 707 NE ARG A 45 1.516 -18.177 -2.597 1.00 0.00 N ATOM 708 CZ ARG A 45 1.631 -19.494 -2.699 1.00 0.00 C ATOM 709 NH1 ARG A 45 0.823 -20.184 -3.497 1.00 0.00 N ATOM 710 NH2 ARG A 45 2.563 -20.119 -1.995 1.00 0.00 N ATOM 0 H ARG A 45 -2.751 -15.645 -4.218 1.00 0.00 H new ATOM 0 HA ARG A 45 -0.926 -15.268 -1.931 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -0.578 -15.420 -4.862 1.00 0.00 H new ATOM 0 HB3 ARG A 45 0.229 -14.045 -4.135 1.00 0.00 H new ATOM 0 HG2 ARG A 45 1.769 -15.914 -4.223 1.00 0.00 H new ATOM 0 HG3 ARG A 45 1.389 -15.568 -2.548 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -0.419 -17.389 -2.721 1.00 0.00 H new ATOM 0 HD3 ARG A 45 0.297 -17.825 -4.261 1.00 0.00 H new ATOM 0 HE ARG A 45 2.176 -17.688 -1.992 1.00 0.00 H new ATOM 0 HH11 ARG A 45 0.106 -19.701 -4.038 1.00 0.00 H new ATOM 0 HH12 ARG A 45 0.920 -21.197 -3.568 1.00 0.00 H new ATOM 0 HH21 ARG A 45 3.182 -19.587 -1.383 1.00 0.00 H new ATOM 0 HH22 ARG A 45 2.661 -21.132 -2.065 1.00 0.00 H new ATOM 724 N PRO A 46 -1.771 -12.969 -1.509 1.00 0.00 N ATOM 725 CA PRO A 46 -2.055 -11.564 -1.225 1.00 0.00 C ATOM 726 C PRO A 46 -0.869 -10.681 -1.589 1.00 0.00 C ATOM 727 O PRO A 46 0.244 -10.875 -1.085 1.00 0.00 O ATOM 728 CB PRO A 46 -2.304 -11.531 0.290 1.00 0.00 C ATOM 729 CG PRO A 46 -2.370 -12.959 0.724 1.00 0.00 C ATOM 730 CD PRO A 46 -1.567 -13.735 -0.276 1.00 0.00 C ATOM 0 HA PRO A 46 -2.900 -11.189 -1.802 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -1.503 -11.002 0.806 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -3.232 -11.009 0.522 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -1.964 -13.080 1.728 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -3.401 -13.310 0.753 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -0.514 -13.786 0.001 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -1.921 -14.761 -0.372 1.00 0.00 H new ATOM 738 N ALA A 47 -1.103 -9.720 -2.468 1.00 0.00 N ATOM 739 CA ALA A 47 -0.043 -8.849 -2.946 1.00 0.00 C ATOM 740 C ALA A 47 -0.451 -7.382 -2.854 1.00 0.00 C ATOM 741 O ALA A 47 -1.515 -6.987 -3.337 1.00 0.00 O ATOM 742 CB ALA A 47 0.314 -9.211 -4.377 1.00 0.00 C ATOM 0 H ALA A 47 -2.021 -9.523 -2.866 1.00 0.00 H new ATOM 0 HA ALA A 47 0.832 -8.991 -2.311 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.109 -8.555 -4.731 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.653 -10.246 -4.417 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.564 -9.092 -5.012 1.00 0.00 H new ATOM 748 N VAL A 48 0.400 -6.579 -2.243 1.00 0.00 N ATOM 749 CA VAL A 48 0.133 -5.160 -2.100 1.00 0.00 C ATOM 750 C VAL A 48 1.177 -4.350 -2.866 1.00 0.00 C ATOM 751 O VAL A 48 2.378 -4.595 -2.751 1.00 0.00 O ATOM 752 CB VAL A 48 0.096 -4.734 -0.611 1.00 0.00 C ATOM 753 CG1 VAL A 48 1.395 -5.093 0.101 1.00 0.00 C ATOM 754 CG2 VAL A 48 -0.204 -3.248 -0.482 1.00 0.00 C ATOM 0 H VAL A 48 1.284 -6.886 -1.837 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.852 -4.958 -2.521 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.709 -5.287 -0.126 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.337 -4.781 1.144 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.550 -6.171 0.053 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.228 -4.584 -0.384 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.225 -2.971 0.572 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.570 -2.675 -0.992 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -1.172 -3.032 -0.933 1.00 0.00 H new ATOM 764 N SER A 49 0.710 -3.414 -3.677 1.00 0.00 N ATOM 765 CA SER A 49 1.601 -2.598 -4.483 1.00 0.00 C ATOM 766 C SER A 49 1.729 -1.196 -3.897 1.00 0.00 C ATOM 767 O SER A 49 0.748 -0.454 -3.808 1.00 0.00 O ATOM 768 CB SER A 49 1.096 -2.527 -5.922 1.00 0.00 C ATOM 769 OG SER A 49 0.887 -3.828 -6.456 1.00 0.00 O ATOM 0 H SER A 49 -0.281 -3.201 -3.794 1.00 0.00 H new ATOM 0 HA SER A 49 2.588 -3.061 -4.479 1.00 0.00 H new ATOM 0 HB2 SER A 49 0.164 -1.963 -5.956 1.00 0.00 H new ATOM 0 HB3 SER A 49 1.817 -1.989 -6.538 1.00 0.00 H new ATOM 0 HG SER A 49 1.752 -4.241 -6.660 1.00 0.00 H new ATOM 775 N LEU A 50 2.942 -0.864 -3.490 1.00 0.00 N ATOM 776 CA LEU A 50 3.264 0.439 -2.931 1.00 0.00 C ATOM 777 C LEU A 50 3.948 1.289 -3.991 1.00 0.00 C ATOM 778 O LEU A 50 4.400 0.767 -5.016 1.00 0.00 O ATOM 779 CB LEU A 50 4.220 0.303 -1.730 1.00 0.00 C ATOM 780 CG LEU A 50 3.699 -0.449 -0.495 1.00 0.00 C ATOM 781 CD1 LEU A 50 3.530 -1.937 -0.768 1.00 0.00 C ATOM 782 CD2 LEU A 50 4.639 -0.237 0.681 1.00 0.00 C ATOM 0 H LEU A 50 3.740 -1.498 -3.539 1.00 0.00 H new ATOM 0 HA LEU A 50 2.336 0.905 -2.601 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.124 -0.199 -2.074 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.512 1.305 -1.416 1.00 0.00 H new ATOM 0 HG LEU A 50 2.717 -0.044 -0.252 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.160 -2.432 0.130 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.817 -2.079 -1.580 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.491 -2.367 -1.049 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.261 -0.774 1.551 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.630 -0.612 0.426 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.701 0.827 0.910 1.00 0.00 H new ATOM 794 N LYS A 51 4.024 2.588 -3.752 1.00 0.00 N ATOM 795 CA LYS A 51 4.854 3.455 -4.571 1.00 0.00 C ATOM 796 C LYS A 51 6.299 3.361 -4.097 1.00 0.00 C ATOM 797 O LYS A 51 6.553 3.022 -2.936 1.00 0.00 O ATOM 798 CB LYS A 51 4.378 4.911 -4.505 1.00 0.00 C ATOM 799 CG LYS A 51 3.218 5.233 -5.435 1.00 0.00 C ATOM 800 CD LYS A 51 2.813 6.697 -5.318 1.00 0.00 C ATOM 801 CE LYS A 51 1.783 7.096 -6.365 1.00 0.00 C ATOM 802 NZ LYS A 51 2.342 7.068 -7.744 1.00 0.00 N ATOM 0 H LYS A 51 3.523 3.063 -3.001 1.00 0.00 H new ATOM 0 HA LYS A 51 4.779 3.126 -5.607 1.00 0.00 H new ATOM 0 HB2 LYS A 51 4.081 5.138 -3.481 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.215 5.566 -4.747 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.500 5.011 -6.464 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.367 4.596 -5.194 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.407 6.881 -4.323 1.00 0.00 H new ATOM 0 HD3 LYS A 51 3.697 7.326 -5.423 1.00 0.00 H new ATOM 0 HE2 LYS A 51 0.929 6.421 -6.307 1.00 0.00 H new ATOM 0 HE3 LYS A 51 1.413 8.098 -6.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 1.688 7.550 -8.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.262 7.553 -7.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 2.467 6.081 -8.048 1.00 0.00 H new ATOM 816 N THR A 52 7.238 3.653 -4.988 1.00 0.00 N ATOM 817 CA THR A 52 8.654 3.611 -4.648 1.00 0.00 C ATOM 818 C THR A 52 8.950 4.505 -3.444 1.00 0.00 C ATOM 819 O THR A 52 8.796 5.726 -3.506 1.00 0.00 O ATOM 820 CB THR A 52 9.531 4.039 -5.842 1.00 0.00 C ATOM 821 OG1 THR A 52 9.258 3.198 -6.967 1.00 0.00 O ATOM 822 CG2 THR A 52 11.014 3.959 -5.497 1.00 0.00 C ATOM 0 H THR A 52 7.044 3.922 -5.953 1.00 0.00 H new ATOM 0 HA THR A 52 8.897 2.579 -4.393 1.00 0.00 H new ATOM 0 HB THR A 52 9.291 5.074 -6.084 1.00 0.00 H new ATOM 0 HG1 THR A 52 8.289 3.136 -7.102 1.00 0.00 H new ATOM 0 HG21 THR A 52 11.605 4.267 -6.359 1.00 0.00 H new ATOM 0 HG22 THR A 52 11.228 4.619 -4.656 1.00 0.00 H new ATOM 0 HG23 THR A 52 11.270 2.934 -5.229 1.00 0.00 H new ATOM 830 N SER A 53 9.339 3.878 -2.343 1.00 0.00 N ATOM 831 CA SER A 53 9.643 4.591 -1.115 1.00 0.00 C ATOM 832 C SER A 53 11.080 4.304 -0.689 1.00 0.00 C ATOM 833 O SER A 53 11.599 3.221 -0.963 1.00 0.00 O ATOM 834 CB SER A 53 8.664 4.169 -0.018 1.00 0.00 C ATOM 835 OG SER A 53 7.322 4.354 -0.436 1.00 0.00 O ATOM 0 H SER A 53 9.452 2.866 -2.278 1.00 0.00 H new ATOM 0 HA SER A 53 9.539 5.663 -1.284 1.00 0.00 H new ATOM 0 HB2 SER A 53 8.828 3.122 0.238 1.00 0.00 H new ATOM 0 HB3 SER A 53 8.851 4.751 0.885 1.00 0.00 H new ATOM 0 HG SER A 53 7.135 3.773 -1.202 1.00 0.00 H new ATOM 841 N PRO A 54 11.736 5.266 -0.016 1.00 0.00 N ATOM 842 CA PRO A 54 13.135 5.130 0.409 1.00 0.00 C ATOM 843 C PRO A 54 13.384 3.841 1.188 1.00 0.00 C ATOM 844 O PRO A 54 14.319 3.099 0.896 1.00 0.00 O ATOM 845 CB PRO A 54 13.356 6.348 1.309 1.00 0.00 C ATOM 846 CG PRO A 54 12.365 7.352 0.834 1.00 0.00 C ATOM 847 CD PRO A 54 11.165 6.568 0.380 1.00 0.00 C ATOM 0 HA PRO A 54 13.814 5.084 -0.442 1.00 0.00 H new ATOM 0 HB2 PRO A 54 13.196 6.100 2.358 1.00 0.00 H new ATOM 0 HB3 PRO A 54 14.375 6.725 1.222 1.00 0.00 H new ATOM 0 HG2 PRO A 54 12.099 8.045 1.632 1.00 0.00 H new ATOM 0 HG3 PRO A 54 12.774 7.947 0.018 1.00 0.00 H new ATOM 0 HD2 PRO A 54 10.431 6.459 1.178 1.00 0.00 H new ATOM 0 HD3 PRO A 54 10.659 7.055 -0.454 1.00 0.00 H new ATOM 855 N GLU A 55 12.520 3.564 2.156 1.00 0.00 N ATOM 856 CA GLU A 55 12.676 2.397 3.016 1.00 0.00 C ATOM 857 C GLU A 55 12.404 1.102 2.252 1.00 0.00 C ATOM 858 O GLU A 55 13.048 0.082 2.494 1.00 0.00 O ATOM 859 CB GLU A 55 11.750 2.520 4.220 1.00 0.00 C ATOM 860 CG GLU A 55 12.044 3.751 5.056 1.00 0.00 C ATOM 861 CD GLU A 55 11.009 3.998 6.129 1.00 0.00 C ATOM 862 OE1 GLU A 55 9.954 4.584 5.812 1.00 0.00 O ATOM 863 OE2 GLU A 55 11.251 3.620 7.292 1.00 0.00 O ATOM 0 H GLU A 55 11.701 4.134 2.366 1.00 0.00 H new ATOM 0 HA GLU A 55 13.709 2.358 3.363 1.00 0.00 H new ATOM 0 HB2 GLU A 55 10.716 2.556 3.877 1.00 0.00 H new ATOM 0 HB3 GLU A 55 11.848 1.630 4.842 1.00 0.00 H new ATOM 0 HG2 GLU A 55 13.023 3.641 5.522 1.00 0.00 H new ATOM 0 HG3 GLU A 55 12.097 4.622 4.403 1.00 0.00 H new ATOM 870 N LEU A 56 11.460 1.154 1.320 1.00 0.00 N ATOM 871 CA LEU A 56 11.144 -0.006 0.491 1.00 0.00 C ATOM 872 C LEU A 56 12.311 -0.324 -0.441 1.00 0.00 C ATOM 873 O LEU A 56 12.660 -1.485 -0.646 1.00 0.00 O ATOM 874 CB LEU A 56 9.851 0.222 -0.317 1.00 0.00 C ATOM 875 CG LEU A 56 8.534 -0.019 0.442 1.00 0.00 C ATOM 876 CD1 LEU A 56 8.463 -1.456 0.936 1.00 0.00 C ATOM 877 CD2 LEU A 56 8.378 0.956 1.602 1.00 0.00 C ATOM 0 H LEU A 56 10.901 1.983 1.119 1.00 0.00 H new ATOM 0 HA LEU A 56 10.979 -0.859 1.150 1.00 0.00 H new ATOM 0 HB2 LEU A 56 9.852 1.247 -0.687 1.00 0.00 H new ATOM 0 HB3 LEU A 56 9.870 -0.432 -1.189 1.00 0.00 H new ATOM 0 HG LEU A 56 7.710 0.154 -0.250 1.00 0.00 H new ATOM 0 HD11 LEU A 56 7.526 -1.611 1.471 1.00 0.00 H new ATOM 0 HD12 LEU A 56 8.512 -2.136 0.086 1.00 0.00 H new ATOM 0 HD13 LEU A 56 9.300 -1.652 1.606 1.00 0.00 H new ATOM 0 HD21 LEU A 56 7.438 0.760 2.118 1.00 0.00 H new ATOM 0 HD22 LEU A 56 9.207 0.829 2.298 1.00 0.00 H new ATOM 0 HD23 LEU A 56 8.377 1.977 1.221 1.00 0.00 H new ATOM 889 N ALA A 57 12.923 0.721 -0.985 1.00 0.00 N ATOM 890 CA ALA A 57 14.089 0.562 -1.845 1.00 0.00 C ATOM 891 C ALA A 57 15.304 0.143 -1.024 1.00 0.00 C ATOM 892 O ALA A 57 16.150 -0.615 -1.493 1.00 0.00 O ATOM 893 CB ALA A 57 14.370 1.853 -2.600 1.00 0.00 C ATOM 0 H ALA A 57 12.631 1.688 -0.846 1.00 0.00 H new ATOM 0 HA ALA A 57 13.880 -0.223 -2.572 1.00 0.00 H new ATOM 0 HB1 ALA A 57 15.244 1.719 -3.238 1.00 0.00 H new ATOM 0 HB2 ALA A 57 13.508 2.110 -3.215 1.00 0.00 H new ATOM 0 HB3 ALA A 57 14.561 2.656 -1.889 1.00 0.00 H new ATOM 899 N GLU A 58 15.374 0.648 0.204 1.00 0.00 N ATOM 900 CA GLU A 58 16.435 0.299 1.146 1.00 0.00 C ATOM 901 C GLU A 58 16.471 -1.205 1.360 1.00 0.00 C ATOM 902 O GLU A 58 17.511 -1.851 1.206 1.00 0.00 O ATOM 903 CB GLU A 58 16.175 0.995 2.484 1.00 0.00 C ATOM 904 CG GLU A 58 17.347 0.966 3.452 1.00 0.00 C ATOM 905 CD GLU A 58 18.592 1.617 2.889 1.00 0.00 C ATOM 906 OE1 GLU A 58 18.485 2.706 2.284 1.00 0.00 O ATOM 907 OE2 GLU A 58 19.691 1.050 3.056 1.00 0.00 O ATOM 0 H GLU A 58 14.695 1.313 0.576 1.00 0.00 H new ATOM 0 HA GLU A 58 17.393 0.624 0.739 1.00 0.00 H new ATOM 0 HB2 GLU A 58 15.905 2.033 2.292 1.00 0.00 H new ATOM 0 HB3 GLU A 58 15.315 0.526 2.961 1.00 0.00 H new ATOM 0 HG2 GLU A 58 17.063 1.473 4.374 1.00 0.00 H new ATOM 0 HG3 GLU A 58 17.570 -0.068 3.713 1.00 0.00 H new ATOM 914 N LEU A 59 15.316 -1.741 1.720 1.00 0.00 N ATOM 915 CA LEU A 59 15.161 -3.170 1.961 1.00 0.00 C ATOM 916 C LEU A 59 15.594 -3.991 0.749 1.00 0.00 C ATOM 917 O LEU A 59 16.415 -4.893 0.874 1.00 0.00 O ATOM 918 CB LEU A 59 13.708 -3.498 2.313 1.00 0.00 C ATOM 919 CG LEU A 59 13.182 -2.852 3.596 1.00 0.00 C ATOM 920 CD1 LEU A 59 11.717 -3.201 3.805 1.00 0.00 C ATOM 921 CD2 LEU A 59 14.011 -3.293 4.793 1.00 0.00 C ATOM 0 H LEU A 59 14.461 -1.201 1.854 1.00 0.00 H new ATOM 0 HA LEU A 59 15.805 -3.433 2.800 1.00 0.00 H new ATOM 0 HB2 LEU A 59 13.072 -3.189 1.483 1.00 0.00 H new ATOM 0 HB3 LEU A 59 13.609 -4.580 2.404 1.00 0.00 H new ATOM 0 HG LEU A 59 13.268 -1.770 3.498 1.00 0.00 H new ATOM 0 HD11 LEU A 59 11.359 -2.733 4.722 1.00 0.00 H new ATOM 0 HD12 LEU A 59 11.132 -2.837 2.960 1.00 0.00 H new ATOM 0 HD13 LEU A 59 11.608 -4.283 3.883 1.00 0.00 H new ATOM 0 HD21 LEU A 59 13.623 -2.824 5.697 1.00 0.00 H new ATOM 0 HD22 LEU A 59 13.956 -4.377 4.894 1.00 0.00 H new ATOM 0 HD23 LEU A 59 15.049 -2.995 4.646 1.00 0.00 H new ATOM 933 N LEU A 60 15.064 -3.653 -0.421 1.00 0.00 N ATOM 934 CA LEU A 60 15.339 -4.410 -1.644 1.00 0.00 C ATOM 935 C LEU A 60 16.805 -4.287 -2.065 1.00 0.00 C ATOM 936 O LEU A 60 17.369 -5.206 -2.659 1.00 0.00 O ATOM 937 CB LEU A 60 14.429 -3.927 -2.780 1.00 0.00 C ATOM 938 CG LEU A 60 14.597 -4.661 -4.113 1.00 0.00 C ATOM 939 CD1 LEU A 60 14.230 -6.129 -3.967 1.00 0.00 C ATOM 940 CD2 LEU A 60 13.755 -4.002 -5.196 1.00 0.00 C ATOM 0 H LEU A 60 14.439 -2.858 -0.552 1.00 0.00 H new ATOM 0 HA LEU A 60 15.135 -5.460 -1.436 1.00 0.00 H new ATOM 0 HB2 LEU A 60 13.392 -4.025 -2.459 1.00 0.00 H new ATOM 0 HB3 LEU A 60 14.613 -2.865 -2.944 1.00 0.00 H new ATOM 0 HG LEU A 60 15.644 -4.599 -4.408 1.00 0.00 H new ATOM 0 HD11 LEU A 60 14.356 -6.633 -4.925 1.00 0.00 H new ATOM 0 HD12 LEU A 60 14.878 -6.594 -3.225 1.00 0.00 H new ATOM 0 HD13 LEU A 60 13.192 -6.214 -3.646 1.00 0.00 H new ATOM 0 HD21 LEU A 60 13.887 -4.538 -6.136 1.00 0.00 H new ATOM 0 HD22 LEU A 60 12.704 -4.030 -4.907 1.00 0.00 H new ATOM 0 HD23 LEU A 60 14.069 -2.966 -5.321 1.00 0.00 H new ATOM 952 N ARG A 61 17.412 -3.150 -1.761 1.00 0.00 N ATOM 953 CA ARG A 61 18.785 -2.885 -2.166 1.00 0.00 C ATOM 954 C ARG A 61 19.761 -3.733 -1.358 1.00 0.00 C ATOM 955 O ARG A 61 20.758 -4.224 -1.886 1.00 0.00 O ATOM 956 CB ARG A 61 19.109 -1.401 -1.978 1.00 0.00 C ATOM 957 CG ARG A 61 20.278 -0.901 -2.811 1.00 0.00 C ATOM 958 CD ARG A 61 19.967 -0.971 -4.297 1.00 0.00 C ATOM 959 NE ARG A 61 20.724 0.021 -5.063 1.00 0.00 N ATOM 960 CZ ARG A 61 20.605 0.201 -6.377 1.00 0.00 C ATOM 961 NH1 ARG A 61 19.839 -0.610 -7.100 1.00 0.00 N ATOM 962 NH2 ARG A 61 21.265 1.190 -6.973 1.00 0.00 N ATOM 0 H ARG A 61 16.975 -2.394 -1.234 1.00 0.00 H new ATOM 0 HA ARG A 61 18.888 -3.147 -3.219 1.00 0.00 H new ATOM 0 HB2 ARG A 61 18.225 -0.815 -2.227 1.00 0.00 H new ATOM 0 HB3 ARG A 61 19.326 -1.220 -0.925 1.00 0.00 H new ATOM 0 HG2 ARG A 61 20.511 0.127 -2.534 1.00 0.00 H new ATOM 0 HG3 ARG A 61 21.164 -1.498 -2.594 1.00 0.00 H new ATOM 0 HD2 ARG A 61 20.198 -1.969 -4.669 1.00 0.00 H new ATOM 0 HD3 ARG A 61 18.900 -0.812 -4.452 1.00 0.00 H new ATOM 0 HE ARG A 61 21.385 0.612 -4.558 1.00 0.00 H new ATOM 0 HH11 ARG A 61 19.338 -1.375 -6.649 1.00 0.00 H new ATOM 0 HH12 ARG A 61 19.752 -0.467 -8.106 1.00 0.00 H new ATOM 0 HH21 ARG A 61 21.861 1.809 -6.424 1.00 0.00 H new ATOM 0 HH22 ARG A 61 21.175 1.329 -7.979 1.00 0.00 H new ATOM 976 N GLN A 62 19.464 -3.902 -0.075 1.00 0.00 N ATOM 977 CA GLN A 62 20.346 -4.631 0.827 1.00 0.00 C ATOM 978 C GLN A 62 19.929 -6.094 0.964 1.00 0.00 C ATOM 979 O GLN A 62 20.769 -6.992 0.907 1.00 0.00 O ATOM 980 CB GLN A 62 20.374 -3.950 2.200 1.00 0.00 C ATOM 981 CG GLN A 62 21.455 -2.882 2.346 1.00 0.00 C ATOM 982 CD GLN A 62 21.480 -1.888 1.199 1.00 0.00 C ATOM 983 OE1 GLN A 62 22.189 -2.082 0.210 1.00 0.00 O ATOM 984 NE2 GLN A 62 20.725 -0.809 1.325 1.00 0.00 N ATOM 0 H GLN A 62 18.617 -3.543 0.365 1.00 0.00 H new ATOM 0 HA GLN A 62 21.349 -4.616 0.400 1.00 0.00 H new ATOM 0 HB2 GLN A 62 19.401 -3.495 2.387 1.00 0.00 H new ATOM 0 HB3 GLN A 62 20.523 -4.710 2.967 1.00 0.00 H new ATOM 0 HG2 GLN A 62 21.299 -2.343 3.281 1.00 0.00 H new ATOM 0 HG3 GLN A 62 22.428 -3.368 2.417 1.00 0.00 H new ATOM 0 HE21 GLN A 62 20.151 -0.683 2.159 1.00 0.00 H new ATOM 0 HE22 GLN A 62 20.717 -0.103 0.589 1.00 0.00 H new ATOM 993 N GLN A 63 18.638 -6.336 1.135 1.00 0.00 N ATOM 994 CA GLN A 63 18.130 -7.690 1.305 1.00 0.00 C ATOM 995 C GLN A 63 17.689 -8.248 -0.041 1.00 0.00 C ATOM 996 O GLN A 63 16.824 -7.681 -0.706 1.00 0.00 O ATOM 997 CB GLN A 63 16.965 -7.710 2.296 1.00 0.00 C ATOM 998 CG GLN A 63 17.302 -7.080 3.640 1.00 0.00 C ATOM 999 CD GLN A 63 18.491 -7.733 4.320 1.00 0.00 C ATOM 1000 OE1 GLN A 63 18.742 -8.926 4.160 1.00 0.00 O ATOM 1001 NE2 GLN A 63 19.233 -6.950 5.087 1.00 0.00 N ATOM 0 H GLN A 63 17.921 -5.611 1.160 1.00 0.00 H new ATOM 0 HA GLN A 63 18.928 -8.315 1.706 1.00 0.00 H new ATOM 0 HB2 GLN A 63 16.117 -7.183 1.859 1.00 0.00 H new ATOM 0 HB3 GLN A 63 16.651 -8.742 2.455 1.00 0.00 H new ATOM 0 HG2 GLN A 63 17.510 -6.020 3.496 1.00 0.00 H new ATOM 0 HG3 GLN A 63 16.433 -7.148 4.295 1.00 0.00 H new ATOM 0 HE21 GLN A 63 18.992 -5.965 5.194 1.00 0.00 H new ATOM 0 HE22 GLN A 63 20.046 -7.332 5.571 1.00 0.00 H new ATOM 1010 N HIS A 64 18.285 -9.358 -0.441 1.00 0.00 N ATOM 1011 CA HIS A 64 18.053 -9.908 -1.768 1.00 0.00 C ATOM 1012 C HIS A 64 16.980 -10.992 -1.745 1.00 0.00 C ATOM 1013 O HIS A 64 17.076 -11.954 -0.985 1.00 0.00 O ATOM 1014 CB HIS A 64 19.354 -10.473 -2.344 1.00 0.00 C ATOM 1015 CG HIS A 64 20.455 -9.460 -2.457 1.00 0.00 C ATOM 1016 ND1 HIS A 64 21.654 -9.570 -1.784 1.00 0.00 N ATOM 1017 CD2 HIS A 64 20.538 -8.316 -3.180 1.00 0.00 C ATOM 1018 CE1 HIS A 64 22.424 -8.542 -2.087 1.00 0.00 C ATOM 1019 NE2 HIS A 64 21.772 -7.767 -2.932 1.00 0.00 N ATOM 0 H HIS A 64 18.933 -9.897 0.133 1.00 0.00 H new ATOM 0 HA HIS A 64 17.699 -9.097 -2.405 1.00 0.00 H new ATOM 0 HB2 HIS A 64 19.693 -11.295 -1.714 1.00 0.00 H new ATOM 0 HB3 HIS A 64 19.153 -10.889 -3.331 1.00 0.00 H new ATOM 0 HD2 HIS A 64 19.776 -7.912 -3.830 1.00 0.00 H new ATOM 0 HE1 HIS A 64 23.419 -8.365 -1.707 1.00 0.00 H new ATOM 0 HE2 HIS A 64 22.127 -6.900 -3.336 1.00 0.00 H new ATOM 1028 N SER A 65 15.957 -10.804 -2.576 1.00 0.00 N ATOM 1029 CA SER A 65 14.895 -11.792 -2.773 1.00 0.00 C ATOM 1030 C SER A 65 14.026 -11.940 -1.519 1.00 0.00 C ATOM 1031 O SER A 65 14.115 -11.134 -0.590 1.00 0.00 O ATOM 1032 CB SER A 65 15.490 -13.151 -3.189 1.00 0.00 C ATOM 1033 OG SER A 65 14.499 -13.998 -3.748 1.00 0.00 O ATOM 0 H SER A 65 15.840 -9.959 -3.135 1.00 0.00 H new ATOM 0 HA SER A 65 14.253 -11.434 -3.578 1.00 0.00 H new ATOM 0 HB2 SER A 65 16.289 -12.994 -3.914 1.00 0.00 H new ATOM 0 HB3 SER A 65 15.938 -13.635 -2.321 1.00 0.00 H new ATOM 0 HG SER A 65 14.905 -14.852 -4.004 1.00 0.00 H new ATOM 1039 N ASP A 66 13.156 -12.955 -1.540 1.00 0.00 N ATOM 1040 CA ASP A 66 12.219 -13.266 -0.447 1.00 0.00 C ATOM 1041 C ASP A 66 11.091 -12.242 -0.354 1.00 0.00 C ATOM 1042 O ASP A 66 9.938 -12.601 -0.110 1.00 0.00 O ATOM 1043 CB ASP A 66 12.938 -13.424 0.899 1.00 0.00 C ATOM 1044 CG ASP A 66 13.618 -14.776 1.033 1.00 0.00 C ATOM 1045 OD1 ASP A 66 13.730 -15.497 0.017 1.00 0.00 O ATOM 1046 OD2 ASP A 66 14.027 -15.141 2.152 1.00 0.00 O ATOM 0 H ASP A 66 13.079 -13.597 -2.329 1.00 0.00 H new ATOM 0 HA ASP A 66 11.767 -14.228 -0.689 1.00 0.00 H new ATOM 0 HB2 ASP A 66 13.681 -12.634 1.007 1.00 0.00 H new ATOM 0 HB3 ASP A 66 12.220 -13.299 1.709 1.00 0.00 H new ATOM 1051 N VAL A 67 11.418 -10.973 -0.550 1.00 0.00 N ATOM 1052 CA VAL A 67 10.403 -9.935 -0.659 1.00 0.00 C ATOM 1053 C VAL A 67 9.657 -10.090 -1.985 1.00 0.00 C ATOM 1054 O VAL A 67 8.473 -9.767 -2.087 1.00 0.00 O ATOM 1055 CB VAL A 67 11.029 -8.521 -0.548 1.00 0.00 C ATOM 1056 CG1 VAL A 67 12.046 -8.276 -1.656 1.00 0.00 C ATOM 1057 CG2 VAL A 67 9.952 -7.451 -0.564 1.00 0.00 C ATOM 0 H VAL A 67 12.377 -10.637 -0.637 1.00 0.00 H new ATOM 0 HA VAL A 67 9.700 -10.047 0.167 1.00 0.00 H new ATOM 0 HB VAL A 67 11.554 -8.466 0.406 1.00 0.00 H new ATOM 0 HG11 VAL A 67 12.466 -7.276 -1.550 1.00 0.00 H new ATOM 0 HG12 VAL A 67 12.845 -9.014 -1.587 1.00 0.00 H new ATOM 0 HG13 VAL A 67 11.556 -8.362 -2.626 1.00 0.00 H new ATOM 0 HG21 VAL A 67 10.415 -6.467 -0.485 1.00 0.00 H new ATOM 0 HG22 VAL A 67 9.390 -7.514 -1.496 1.00 0.00 H new ATOM 0 HG23 VAL A 67 9.276 -7.602 0.278 1.00 0.00 H new ATOM 1116 N ARG A 71 6.157 -8.054 -10.511 1.00 0.00 N ATOM 1117 CA ARG A 71 6.117 -8.800 -11.765 1.00 0.00 C ATOM 1118 C ARG A 71 4.905 -8.417 -12.615 1.00 0.00 C ATOM 1119 O ARG A 71 5.026 -8.198 -13.818 1.00 0.00 O ATOM 1120 CB ARG A 71 6.086 -10.303 -11.472 1.00 0.00 C ATOM 1121 CG ARG A 71 6.093 -11.175 -12.717 1.00 0.00 C ATOM 1122 CD ARG A 71 5.818 -12.628 -12.364 1.00 0.00 C ATOM 1123 NE ARG A 71 5.827 -13.510 -13.533 1.00 0.00 N ATOM 1124 CZ ARG A 71 4.762 -13.755 -14.297 1.00 0.00 C ATOM 1125 NH1 ARG A 71 3.647 -13.052 -14.134 1.00 0.00 N ATOM 1126 NH2 ARG A 71 4.824 -14.673 -15.252 1.00 0.00 N ATOM 0 HA ARG A 71 7.015 -8.549 -12.330 1.00 0.00 H new ATOM 0 HB2 ARG A 71 6.947 -10.561 -10.855 1.00 0.00 H new ATOM 0 HB3 ARG A 71 5.195 -10.530 -10.886 1.00 0.00 H new ATOM 0 HG2 ARG A 71 5.340 -10.819 -13.420 1.00 0.00 H new ATOM 0 HG3 ARG A 71 7.058 -11.095 -13.217 1.00 0.00 H new ATOM 0 HD2 ARG A 71 6.567 -12.971 -11.650 1.00 0.00 H new ATOM 0 HD3 ARG A 71 4.850 -12.699 -11.869 1.00 0.00 H new ATOM 0 HE ARG A 71 6.705 -13.967 -13.779 1.00 0.00 H new ATOM 0 HH11 ARG A 71 3.604 -12.322 -13.423 1.00 0.00 H new ATOM 0 HH12 ARG A 71 2.834 -13.242 -14.720 1.00 0.00 H new ATOM 0 HH21 ARG A 71 5.688 -15.194 -15.404 1.00 0.00 H new ATOM 0 HH22 ARG A 71 4.008 -14.858 -15.835 1.00 0.00 H new ATOM 1140 N HIS A 72 3.736 -8.336 -11.985 1.00 0.00 N ATOM 1141 CA HIS A 72 2.488 -8.128 -12.722 1.00 0.00 C ATOM 1142 C HIS A 72 2.239 -6.654 -13.037 1.00 0.00 C ATOM 1143 O HIS A 72 1.521 -6.333 -13.979 1.00 0.00 O ATOM 1144 CB HIS A 72 1.292 -8.707 -11.956 1.00 0.00 C ATOM 1145 CG HIS A 72 1.208 -10.206 -11.988 1.00 0.00 C ATOM 1146 ND1 HIS A 72 0.625 -10.904 -13.020 1.00 0.00 N ATOM 1147 CD2 HIS A 72 1.624 -11.141 -11.099 1.00 0.00 C ATOM 1148 CE1 HIS A 72 0.680 -12.196 -12.768 1.00 0.00 C ATOM 1149 NE2 HIS A 72 1.282 -12.371 -11.608 1.00 0.00 N ATOM 0 H HIS A 72 3.624 -8.410 -10.974 1.00 0.00 H new ATOM 0 HA HIS A 72 2.595 -8.657 -13.669 1.00 0.00 H new ATOM 0 HB2 HIS A 72 1.347 -8.379 -10.918 1.00 0.00 H new ATOM 0 HB3 HIS A 72 0.373 -8.294 -12.373 1.00 0.00 H new ATOM 0 HD2 HIS A 72 2.131 -10.954 -10.164 1.00 0.00 H new ATOM 0 HE1 HIS A 72 0.297 -12.980 -13.404 1.00 0.00 H new ATOM 0 HE2 HIS A 72 1.464 -13.270 -11.162 1.00 0.00 H new ATOM 1158 N LEU A 73 2.835 -5.762 -12.260 1.00 0.00 N ATOM 1159 CA LEU A 73 2.605 -4.331 -12.439 1.00 0.00 C ATOM 1160 C LEU A 73 3.925 -3.572 -12.490 1.00 0.00 C ATOM 1161 O LEU A 73 4.202 -2.732 -11.634 1.00 0.00 O ATOM 1162 CB LEU A 73 1.711 -3.788 -11.316 1.00 0.00 C ATOM 1163 CG LEU A 73 0.286 -4.352 -11.291 1.00 0.00 C ATOM 1164 CD1 LEU A 73 -0.460 -3.866 -10.061 1.00 0.00 C ATOM 1165 CD2 LEU A 73 -0.467 -3.960 -12.553 1.00 0.00 C ATOM 0 H LEU A 73 3.478 -5.998 -11.504 1.00 0.00 H new ATOM 0 HA LEU A 73 2.094 -4.183 -13.390 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.187 -4.001 -10.359 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.655 -2.703 -11.410 1.00 0.00 H new ATOM 0 HG LEU A 73 0.351 -5.439 -11.250 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.469 -4.277 -10.062 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.065 -4.194 -9.164 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.512 -2.777 -10.073 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.476 -4.370 -12.516 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.519 -2.873 -12.623 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.054 -4.355 -13.425 1.00 0.00 H new ATOM 1177 N ASN A 74 4.722 -3.891 -13.514 1.00 0.00 N ATOM 1178 CA ASN A 74 6.052 -3.313 -13.718 1.00 0.00 C ATOM 1179 C ASN A 74 7.004 -3.727 -12.592 1.00 0.00 C ATOM 1180 O ASN A 74 6.570 -4.079 -11.502 1.00 0.00 O ATOM 1181 CB ASN A 74 5.966 -1.790 -13.821 1.00 0.00 C ATOM 1182 CG ASN A 74 7.174 -1.180 -14.513 1.00 0.00 C ATOM 1183 OD1 ASN A 74 8.206 -0.922 -13.895 1.00 0.00 O ATOM 1184 ND2 ASN A 74 7.044 -0.934 -15.807 1.00 0.00 N ATOM 0 H ASN A 74 4.458 -4.565 -14.232 1.00 0.00 H new ATOM 0 HA ASN A 74 6.451 -3.698 -14.657 1.00 0.00 H new ATOM 0 HB2 ASN A 74 5.063 -1.517 -14.367 1.00 0.00 H new ATOM 0 HB3 ASN A 74 5.873 -1.367 -12.821 1.00 0.00 H new ATOM 0 HD21 ASN A 74 7.816 -0.516 -16.327 1.00 0.00 H new ATOM 0 HD22 ASN A 74 6.172 -1.162 -16.284 1.00 0.00 H new ATOM 1191 N LYS A 75 8.299 -3.728 -12.867 1.00 0.00 N ATOM 1192 CA LYS A 75 9.285 -4.117 -11.864 1.00 0.00 C ATOM 1193 C LYS A 75 9.695 -2.926 -10.996 1.00 0.00 C ATOM 1194 O LYS A 75 10.123 -3.096 -9.854 1.00 0.00 O ATOM 1195 CB LYS A 75 10.511 -4.742 -12.535 1.00 0.00 C ATOM 1196 CG LYS A 75 11.554 -5.266 -11.556 1.00 0.00 C ATOM 1197 CD LYS A 75 12.628 -6.106 -12.244 1.00 0.00 C ATOM 1198 CE LYS A 75 13.591 -5.277 -13.092 1.00 0.00 C ATOM 1199 NZ LYS A 75 12.956 -4.730 -14.324 1.00 0.00 N ATOM 0 H LYS A 75 8.693 -3.466 -13.771 1.00 0.00 H new ATOM 0 HA LYS A 75 8.826 -4.861 -11.212 1.00 0.00 H new ATOM 0 HB2 LYS A 75 10.184 -5.562 -13.175 1.00 0.00 H new ATOM 0 HB3 LYS A 75 10.976 -3.999 -13.182 1.00 0.00 H new ATOM 0 HG2 LYS A 75 12.025 -4.425 -11.047 1.00 0.00 H new ATOM 0 HG3 LYS A 75 11.061 -5.867 -10.791 1.00 0.00 H new ATOM 0 HD2 LYS A 75 13.195 -6.648 -11.488 1.00 0.00 H new ATOM 0 HD3 LYS A 75 12.147 -6.851 -12.877 1.00 0.00 H new ATOM 0 HE2 LYS A 75 13.978 -4.453 -12.492 1.00 0.00 H new ATOM 0 HE3 LYS A 75 14.444 -5.895 -13.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 13.612 -4.826 -15.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 12.082 -5.256 -14.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 12.729 -3.725 -14.181 1.00 0.00 H new ATOM 1213 N ALA A 76 9.556 -1.722 -11.536 1.00 0.00 N ATOM 1214 CA ALA A 76 9.977 -0.522 -10.829 1.00 0.00 C ATOM 1215 C ALA A 76 8.848 0.498 -10.758 1.00 0.00 C ATOM 1216 O ALA A 76 7.806 0.317 -11.390 1.00 0.00 O ATOM 1217 CB ALA A 76 11.202 0.083 -11.492 1.00 0.00 C ATOM 0 H ALA A 76 9.156 -1.552 -12.459 1.00 0.00 H new ATOM 0 HA ALA A 76 10.238 -0.805 -9.809 1.00 0.00 H new ATOM 0 HB1 ALA A 76 11.503 0.980 -10.950 1.00 0.00 H new ATOM 0 HB2 ALA A 76 12.017 -0.640 -11.479 1.00 0.00 H new ATOM 0 HB3 ALA A 76 10.966 0.344 -12.523 1.00 0.00 H new ATOM 1223 N HIS A 77 9.074 1.570 -9.990 1.00 0.00 N ATOM 1224 CA HIS A 77 8.062 2.605 -9.727 1.00 0.00 C ATOM 1225 C HIS A 77 6.966 2.060 -8.814 1.00 0.00 C ATOM 1226 O HIS A 77 6.665 2.649 -7.774 1.00 0.00 O ATOM 1227 CB HIS A 77 7.473 3.183 -11.021 1.00 0.00 C ATOM 1228 CG HIS A 77 8.442 4.027 -11.795 1.00 0.00 C ATOM 1229 ND1 HIS A 77 8.208 4.454 -13.083 1.00 0.00 N ATOM 1230 CD2 HIS A 77 9.649 4.535 -11.448 1.00 0.00 C ATOM 1231 CE1 HIS A 77 9.228 5.183 -13.494 1.00 0.00 C ATOM 1232 NE2 HIS A 77 10.118 5.250 -12.522 1.00 0.00 N ATOM 0 H HIS A 77 9.967 1.747 -9.530 1.00 0.00 H new ATOM 0 HA HIS A 77 8.560 3.429 -9.216 1.00 0.00 H new ATOM 0 HB2 HIS A 77 7.132 2.363 -11.653 1.00 0.00 H new ATOM 0 HB3 HIS A 77 6.596 3.783 -10.776 1.00 0.00 H new ATOM 0 HD2 HIS A 77 10.150 4.402 -10.501 1.00 0.00 H new ATOM 0 HE1 HIS A 77 9.319 5.648 -14.465 1.00 0.00 H new ATOM 0 HE2 HIS A 77 11.006 5.750 -12.562 1.00 0.00 H new ATOM 1241 N TRP A 78 6.384 0.936 -9.197 1.00 0.00 N ATOM 1242 CA TRP A 78 5.492 0.204 -8.320 1.00 0.00 C ATOM 1243 C TRP A 78 6.275 -0.900 -7.623 1.00 0.00 C ATOM 1244 O TRP A 78 7.152 -1.523 -8.221 1.00 0.00 O ATOM 1245 CB TRP A 78 4.327 -0.417 -9.100 1.00 0.00 C ATOM 1246 CG TRP A 78 3.332 0.571 -9.627 1.00 0.00 C ATOM 1247 CD1 TRP A 78 3.076 0.854 -10.938 1.00 0.00 C ATOM 1248 CD2 TRP A 78 2.448 1.396 -8.856 1.00 0.00 C ATOM 1249 NE1 TRP A 78 2.085 1.804 -11.030 1.00 0.00 N ATOM 1250 CE2 TRP A 78 1.685 2.154 -9.767 1.00 0.00 C ATOM 1251 CE3 TRP A 78 2.226 1.567 -7.485 1.00 0.00 C ATOM 1252 CZ2 TRP A 78 0.719 3.067 -9.348 1.00 0.00 C ATOM 1253 CZ3 TRP A 78 1.268 2.473 -7.072 1.00 0.00 C ATOM 1254 CH2 TRP A 78 0.524 3.213 -8.000 1.00 0.00 C ATOM 0 H TRP A 78 6.516 0.511 -10.115 1.00 0.00 H new ATOM 0 HA TRP A 78 5.080 0.900 -7.589 1.00 0.00 H new ATOM 0 HB2 TRP A 78 4.730 -0.988 -9.936 1.00 0.00 H new ATOM 0 HB3 TRP A 78 3.809 -1.124 -8.452 1.00 0.00 H new ATOM 0 HD1 TRP A 78 3.578 0.399 -11.779 1.00 0.00 H new ATOM 0 HE1 TRP A 78 1.709 2.186 -11.898 1.00 0.00 H new ATOM 0 HE3 TRP A 78 2.794 1.000 -6.762 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 0.144 3.639 -10.061 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 1.090 2.613 -6.016 1.00 0.00 H new ATOM 0 HH2 TRP A 78 -0.218 3.913 -7.646 1.00 0.00 H new ATOM 1265 N SER A 79 5.981 -1.136 -6.362 1.00 0.00 N ATOM 1266 CA SER A 79 6.601 -2.234 -5.650 1.00 0.00 C ATOM 1267 C SER A 79 5.523 -3.114 -5.051 1.00 0.00 C ATOM 1268 O SER A 79 4.671 -2.642 -4.310 1.00 0.00 O ATOM 1269 CB SER A 79 7.518 -1.703 -4.553 1.00 0.00 C ATOM 1270 OG SER A 79 8.382 -0.697 -5.056 1.00 0.00 O ATOM 0 H SER A 79 5.321 -0.587 -5.811 1.00 0.00 H new ATOM 0 HA SER A 79 7.202 -2.820 -6.345 1.00 0.00 H new ATOM 0 HB2 SER A 79 6.919 -1.298 -3.737 1.00 0.00 H new ATOM 0 HB3 SER A 79 8.108 -2.521 -4.140 1.00 0.00 H new ATOM 0 HG SER A 79 8.959 -0.371 -4.334 1.00 0.00 H new ATOM 1276 N THR A 80 5.561 -4.385 -5.376 1.00 0.00 N ATOM 1277 CA THR A 80 4.539 -5.304 -4.921 1.00 0.00 C ATOM 1278 C THR A 80 5.128 -6.325 -3.964 1.00 0.00 C ATOM 1279 O THR A 80 5.953 -7.149 -4.351 1.00 0.00 O ATOM 1280 CB THR A 80 3.874 -6.017 -6.110 1.00 0.00 C ATOM 1281 OG1 THR A 80 3.389 -5.041 -7.048 1.00 0.00 O ATOM 1282 CG2 THR A 80 2.721 -6.893 -5.645 1.00 0.00 C ATOM 0 H THR A 80 6.288 -4.808 -5.954 1.00 0.00 H new ATOM 0 HA THR A 80 3.778 -4.727 -4.395 1.00 0.00 H new ATOM 0 HB THR A 80 4.618 -6.653 -6.589 1.00 0.00 H new ATOM 0 HG1 THR A 80 2.967 -5.497 -7.806 1.00 0.00 H new ATOM 0 HG21 THR A 80 2.268 -7.386 -6.506 1.00 0.00 H new ATOM 0 HG22 THR A 80 3.093 -7.646 -4.950 1.00 0.00 H new ATOM 0 HG23 THR A 80 1.974 -6.276 -5.146 1.00 0.00 H new ATOM 1290 N VAL A 81 4.700 -6.258 -2.716 1.00 0.00 N ATOM 1291 CA VAL A 81 5.191 -7.163 -1.695 1.00 0.00 C ATOM 1292 C VAL A 81 4.290 -8.385 -1.601 1.00 0.00 C ATOM 1293 O VAL A 81 3.113 -8.277 -1.247 1.00 0.00 O ATOM 1294 CB VAL A 81 5.262 -6.475 -0.313 1.00 0.00 C ATOM 1295 CG1 VAL A 81 5.830 -7.422 0.732 1.00 0.00 C ATOM 1296 CG2 VAL A 81 6.090 -5.201 -0.392 1.00 0.00 C ATOM 0 H VAL A 81 4.011 -5.583 -2.385 1.00 0.00 H new ATOM 0 HA VAL A 81 6.198 -7.466 -1.982 1.00 0.00 H new ATOM 0 HB VAL A 81 4.249 -6.207 -0.012 1.00 0.00 H new ATOM 0 HG11 VAL A 81 5.871 -6.917 1.697 1.00 0.00 H new ATOM 0 HG12 VAL A 81 5.192 -8.302 0.810 1.00 0.00 H new ATOM 0 HG13 VAL A 81 6.835 -7.727 0.439 1.00 0.00 H new ATOM 0 HG21 VAL A 81 6.129 -4.731 0.591 1.00 0.00 H new ATOM 0 HG22 VAL A 81 7.101 -5.444 -0.718 1.00 0.00 H new ATOM 0 HG23 VAL A 81 5.634 -4.514 -1.105 1.00 0.00 H new ATOM 1306 N TYR A 82 4.838 -9.535 -1.947 1.00 0.00 N ATOM 1307 CA TYR A 82 4.112 -10.786 -1.838 1.00 0.00 C ATOM 1308 C TYR A 82 4.318 -11.376 -0.451 1.00 0.00 C ATOM 1309 O TYR A 82 5.399 -11.872 -0.135 1.00 0.00 O ATOM 1310 CB TYR A 82 4.567 -11.770 -2.920 1.00 0.00 C ATOM 1311 CG TYR A 82 4.227 -11.321 -4.325 1.00 0.00 C ATOM 1312 CD1 TYR A 82 5.097 -10.516 -5.052 1.00 0.00 C ATOM 1313 CD2 TYR A 82 3.037 -11.708 -4.928 1.00 0.00 C ATOM 1314 CE1 TYR A 82 4.785 -10.101 -6.334 1.00 0.00 C ATOM 1315 CE2 TYR A 82 2.719 -11.298 -6.209 1.00 0.00 C ATOM 1316 CZ TYR A 82 3.596 -10.499 -6.908 1.00 0.00 C ATOM 1317 OH TYR A 82 3.274 -10.083 -8.184 1.00 0.00 O ATOM 0 H TYR A 82 5.788 -9.628 -2.307 1.00 0.00 H new ATOM 0 HA TYR A 82 3.049 -10.595 -1.986 1.00 0.00 H new ATOM 0 HB2 TYR A 82 5.645 -11.910 -2.843 1.00 0.00 H new ATOM 0 HB3 TYR A 82 4.106 -12.740 -2.735 1.00 0.00 H new ATOM 0 HD1 TYR A 82 6.033 -10.209 -4.608 1.00 0.00 H new ATOM 0 HD2 TYR A 82 2.349 -12.340 -4.387 1.00 0.00 H new ATOM 0 HE1 TYR A 82 5.468 -9.469 -6.882 1.00 0.00 H new ATOM 0 HE2 TYR A 82 1.786 -11.603 -6.660 1.00 0.00 H new ATOM 0 HH TYR A 82 4.095 -9.951 -8.702 1.00 0.00 H new ATOM 1327 N LEU A 83 3.282 -11.291 0.376 1.00 0.00 N ATOM 1328 CA LEU A 83 3.361 -11.746 1.759 1.00 0.00 C ATOM 1329 C LEU A 83 3.717 -13.228 1.826 1.00 0.00 C ATOM 1330 O LEU A 83 4.678 -13.613 2.495 1.00 0.00 O ATOM 1331 CB LEU A 83 2.030 -11.493 2.474 1.00 0.00 C ATOM 1332 CG LEU A 83 1.525 -10.047 2.426 1.00 0.00 C ATOM 1333 CD1 LEU A 83 0.194 -9.923 3.155 1.00 0.00 C ATOM 1334 CD2 LEU A 83 2.552 -9.096 3.026 1.00 0.00 C ATOM 0 H LEU A 83 2.374 -10.909 0.111 1.00 0.00 H new ATOM 0 HA LEU A 83 4.148 -11.182 2.259 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.271 -12.140 2.034 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.135 -11.789 3.518 1.00 0.00 H new ATOM 0 HG LEU A 83 1.375 -9.772 1.382 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.150 -8.890 3.111 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -0.543 -10.571 2.680 1.00 0.00 H new ATOM 0 HD13 LEU A 83 0.320 -10.219 4.196 1.00 0.00 H new ATOM 0 HD21 LEU A 83 2.172 -8.075 2.981 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.737 -9.369 4.065 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.482 -9.162 2.462 1.00 0.00 H new ATOM 1346 N ASP A 84 2.906 -14.048 1.152 1.00 0.00 N ATOM 1347 CA ASP A 84 3.140 -15.498 1.026 1.00 0.00 C ATOM 1348 C ASP A 84 3.174 -16.185 2.397 1.00 0.00 C ATOM 1349 O ASP A 84 3.573 -17.340 2.518 1.00 0.00 O ATOM 1350 CB ASP A 84 4.444 -15.762 0.260 1.00 0.00 C ATOM 1351 CG ASP A 84 4.460 -17.112 -0.441 1.00 0.00 C ATOM 1352 OD1 ASP A 84 3.371 -17.632 -0.759 1.00 0.00 O ATOM 1353 OD2 ASP A 84 5.564 -17.631 -0.722 1.00 0.00 O ATOM 0 H ASP A 84 2.063 -13.728 0.674 1.00 0.00 H new ATOM 0 HA ASP A 84 2.308 -15.923 0.465 1.00 0.00 H new ATOM 0 HB2 ASP A 84 4.591 -14.974 -0.478 1.00 0.00 H new ATOM 0 HB3 ASP A 84 5.283 -15.709 0.954 1.00 0.00 H new ATOM 1358 N GLY A 85 2.734 -15.466 3.427 1.00 0.00 N ATOM 1359 CA GLY A 85 2.712 -16.014 4.769 1.00 0.00 C ATOM 1360 C GLY A 85 4.067 -15.955 5.451 1.00 0.00 C ATOM 1361 O GLY A 85 4.252 -16.526 6.524 1.00 0.00 O ATOM 0 H GLY A 85 2.391 -14.508 3.353 1.00 0.00 H new ATOM 0 HA2 GLY A 85 1.985 -15.466 5.368 1.00 0.00 H new ATOM 0 HA3 GLY A 85 2.376 -17.050 4.728 1.00 0.00 H new ATOM 1365 N SER A 86 5.015 -15.258 4.838 1.00 0.00 N ATOM 1366 CA SER A 86 6.363 -15.173 5.382 1.00 0.00 C ATOM 1367 C SER A 86 6.771 -13.713 5.602 1.00 0.00 C ATOM 1368 O SER A 86 7.958 -13.383 5.634 1.00 0.00 O ATOM 1369 CB SER A 86 7.350 -15.875 4.437 1.00 0.00 C ATOM 1370 OG SER A 86 8.657 -15.907 4.986 1.00 0.00 O ATOM 0 H SER A 86 4.876 -14.745 3.967 1.00 0.00 H new ATOM 0 HA SER A 86 6.382 -15.674 6.350 1.00 0.00 H new ATOM 0 HB2 SER A 86 7.010 -16.892 4.243 1.00 0.00 H new ATOM 0 HB3 SER A 86 7.369 -15.357 3.478 1.00 0.00 H new ATOM 0 HG SER A 86 8.860 -15.041 5.397 1.00 0.00 H new ATOM 1376 N LEU A 87 5.784 -12.847 5.774 1.00 0.00 N ATOM 1377 CA LEU A 87 6.047 -11.429 5.978 1.00 0.00 C ATOM 1378 C LEU A 87 5.660 -11.034 7.402 1.00 0.00 C ATOM 1379 O LEU A 87 4.511 -11.226 7.808 1.00 0.00 O ATOM 1380 CB LEU A 87 5.264 -10.603 4.949 1.00 0.00 C ATOM 1381 CG LEU A 87 5.952 -9.327 4.440 1.00 0.00 C ATOM 1382 CD1 LEU A 87 6.117 -8.305 5.552 1.00 0.00 C ATOM 1383 CD2 LEU A 87 7.301 -9.663 3.816 1.00 0.00 C ATOM 0 H LEU A 87 4.796 -13.099 5.777 1.00 0.00 H new ATOM 0 HA LEU A 87 7.110 -11.230 5.841 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.046 -11.240 4.092 1.00 0.00 H new ATOM 0 HB3 LEU A 87 4.307 -10.324 5.390 1.00 0.00 H new ATOM 0 HG LEU A 87 5.313 -8.885 3.675 1.00 0.00 H new ATOM 0 HD11 LEU A 87 6.607 -7.415 5.158 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.137 -8.036 5.947 1.00 0.00 H new ATOM 0 HD13 LEU A 87 6.725 -8.731 6.350 1.00 0.00 H new ATOM 0 HD21 LEU A 87 7.775 -8.748 3.460 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.939 -10.136 4.562 1.00 0.00 H new ATOM 0 HD23 LEU A 87 7.155 -10.345 2.978 1.00 0.00 H new ATOM 1395 N PRO A 88 6.624 -10.511 8.187 1.00 0.00 N ATOM 1396 CA PRO A 88 6.397 -10.084 9.573 1.00 0.00 C ATOM 1397 C PRO A 88 5.141 -9.225 9.740 1.00 0.00 C ATOM 1398 O PRO A 88 4.948 -8.236 9.030 1.00 0.00 O ATOM 1399 CB PRO A 88 7.655 -9.274 9.928 1.00 0.00 C ATOM 1400 CG PRO A 88 8.457 -9.176 8.668 1.00 0.00 C ATOM 1401 CD PRO A 88 8.025 -10.314 7.793 1.00 0.00 C ATOM 0 HA PRO A 88 6.233 -10.943 10.224 1.00 0.00 H new ATOM 0 HB2 PRO A 88 7.389 -8.284 10.298 1.00 0.00 H new ATOM 0 HB3 PRO A 88 8.226 -9.766 10.716 1.00 0.00 H new ATOM 0 HG2 PRO A 88 8.285 -8.220 8.173 1.00 0.00 H new ATOM 0 HG3 PRO A 88 9.524 -9.236 8.883 1.00 0.00 H new ATOM 0 HD2 PRO A 88 8.117 -10.069 6.735 1.00 0.00 H new ATOM 0 HD3 PRO A 88 8.624 -11.208 7.966 1.00 0.00 H new ATOM 1409 N ASP A 89 4.315 -9.608 10.712 1.00 0.00 N ATOM 1410 CA ASP A 89 3.003 -8.997 10.940 1.00 0.00 C ATOM 1411 C ASP A 89 3.081 -7.477 11.083 1.00 0.00 C ATOM 1412 O ASP A 89 2.310 -6.748 10.465 1.00 0.00 O ATOM 1413 CB ASP A 89 2.352 -9.600 12.195 1.00 0.00 C ATOM 1414 CG ASP A 89 3.120 -9.285 13.470 1.00 0.00 C ATOM 1415 OD1 ASP A 89 4.166 -9.925 13.714 1.00 0.00 O ATOM 1416 OD2 ASP A 89 2.696 -8.383 14.224 1.00 0.00 O ATOM 0 H ASP A 89 4.537 -10.356 11.369 1.00 0.00 H new ATOM 0 HA ASP A 89 2.394 -9.212 10.062 1.00 0.00 H new ATOM 0 HB2 ASP A 89 1.334 -9.222 12.287 1.00 0.00 H new ATOM 0 HB3 ASP A 89 2.281 -10.681 12.077 1.00 0.00 H new ATOM 1421 N SER A 90 4.022 -7.006 11.884 1.00 0.00 N ATOM 1422 CA SER A 90 4.110 -5.592 12.206 1.00 0.00 C ATOM 1423 C SER A 90 4.618 -4.778 11.020 1.00 0.00 C ATOM 1424 O SER A 90 4.271 -3.606 10.865 1.00 0.00 O ATOM 1425 CB SER A 90 5.003 -5.408 13.429 1.00 0.00 C ATOM 1426 OG SER A 90 4.516 -6.178 14.523 1.00 0.00 O ATOM 0 H SER A 90 4.738 -7.584 12.324 1.00 0.00 H new ATOM 0 HA SER A 90 3.111 -5.221 12.436 1.00 0.00 H new ATOM 0 HB2 SER A 90 6.023 -5.709 13.190 1.00 0.00 H new ATOM 0 HB3 SER A 90 5.038 -4.354 13.706 1.00 0.00 H new ATOM 0 HG SER A 90 3.862 -6.831 14.198 1.00 0.00 H new ATOM 1432 N GLN A 91 5.418 -5.407 10.168 1.00 0.00 N ATOM 1433 CA GLN A 91 5.944 -4.744 8.995 1.00 0.00 C ATOM 1434 C GLN A 91 4.838 -4.495 7.974 1.00 0.00 C ATOM 1435 O GLN A 91 4.875 -3.510 7.241 1.00 0.00 O ATOM 1436 CB GLN A 91 7.066 -5.576 8.388 1.00 0.00 C ATOM 1437 CG GLN A 91 8.335 -5.584 9.225 1.00 0.00 C ATOM 1438 CD GLN A 91 8.882 -4.189 9.470 1.00 0.00 C ATOM 1439 OE1 GLN A 91 8.703 -3.288 8.655 1.00 0.00 O ATOM 1440 NE2 GLN A 91 9.554 -4.005 10.596 1.00 0.00 N ATOM 0 H GLN A 91 5.714 -6.378 10.273 1.00 0.00 H new ATOM 0 HA GLN A 91 6.349 -3.776 9.290 1.00 0.00 H new ATOM 0 HB2 GLN A 91 6.719 -6.601 8.259 1.00 0.00 H new ATOM 0 HB3 GLN A 91 7.297 -5.190 7.395 1.00 0.00 H new ATOM 0 HG2 GLN A 91 8.131 -6.064 10.182 1.00 0.00 H new ATOM 0 HG3 GLN A 91 9.093 -6.185 8.723 1.00 0.00 H new ATOM 0 HE21 GLN A 91 9.680 -4.780 11.247 1.00 0.00 H new ATOM 0 HE22 GLN A 91 9.945 -3.088 10.812 1.00 0.00 H new ATOM 1449 N ILE A 92 3.856 -5.393 7.939 1.00 0.00 N ATOM 1450 CA ILE A 92 2.720 -5.257 7.033 1.00 0.00 C ATOM 1451 C ILE A 92 2.016 -3.915 7.247 1.00 0.00 C ATOM 1452 O ILE A 92 1.760 -3.181 6.290 1.00 0.00 O ATOM 1453 CB ILE A 92 1.707 -6.409 7.218 1.00 0.00 C ATOM 1454 CG1 ILE A 92 2.395 -7.758 6.997 1.00 0.00 C ATOM 1455 CG2 ILE A 92 0.530 -6.245 6.263 1.00 0.00 C ATOM 1456 CD1 ILE A 92 1.486 -8.949 7.203 1.00 0.00 C ATOM 0 H ILE A 92 3.825 -6.224 8.529 1.00 0.00 H new ATOM 0 HA ILE A 92 3.110 -5.301 6.016 1.00 0.00 H new ATOM 0 HB ILE A 92 1.325 -6.376 8.238 1.00 0.00 H new ATOM 0 HG12 ILE A 92 2.795 -7.789 5.984 1.00 0.00 H new ATOM 0 HG13 ILE A 92 3.243 -7.838 7.677 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -0.173 -7.065 6.408 1.00 0.00 H new ATOM 0 HG22 ILE A 92 0.029 -5.298 6.463 1.00 0.00 H new ATOM 0 HG23 ILE A 92 0.892 -6.254 5.235 1.00 0.00 H new ATOM 0 HD11 ILE A 92 2.045 -9.868 7.028 1.00 0.00 H new ATOM 0 HD12 ILE A 92 1.106 -8.944 8.224 1.00 0.00 H new ATOM 0 HD13 ILE A 92 0.651 -8.894 6.505 1.00 0.00 H new ATOM 1468 N TYR A 93 1.731 -3.591 8.507 1.00 0.00 N ATOM 1469 CA TYR A 93 1.105 -2.313 8.847 1.00 0.00 C ATOM 1470 C TYR A 93 2.040 -1.158 8.519 1.00 0.00 C ATOM 1471 O TYR A 93 1.610 -0.109 8.035 1.00 0.00 O ATOM 1472 CB TYR A 93 0.755 -2.255 10.335 1.00 0.00 C ATOM 1473 CG TYR A 93 -0.203 -3.325 10.796 1.00 0.00 C ATOM 1474 CD1 TYR A 93 -1.560 -3.233 10.520 1.00 0.00 C ATOM 1475 CD2 TYR A 93 0.249 -4.421 11.515 1.00 0.00 C ATOM 1476 CE1 TYR A 93 -2.441 -4.203 10.953 1.00 0.00 C ATOM 1477 CE2 TYR A 93 -0.624 -5.394 11.954 1.00 0.00 C ATOM 1478 CZ TYR A 93 -1.966 -5.280 11.668 1.00 0.00 C ATOM 1479 OH TYR A 93 -2.840 -6.247 12.110 1.00 0.00 O ATOM 0 H TYR A 93 1.923 -4.193 9.308 1.00 0.00 H new ATOM 0 HA TYR A 93 0.192 -2.227 8.258 1.00 0.00 H new ATOM 0 HB2 TYR A 93 1.675 -2.335 10.915 1.00 0.00 H new ATOM 0 HB3 TYR A 93 0.323 -1.279 10.556 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -1.932 -2.389 9.958 1.00 0.00 H new ATOM 0 HD2 TYR A 93 1.302 -4.514 11.735 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -3.495 -4.118 10.733 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -0.258 -6.239 12.518 1.00 0.00 H new ATOM 0 HH TYR A 93 -2.344 -6.938 12.597 1.00 0.00 H new ATOM 1489 N TYR A 94 3.322 -1.372 8.782 1.00 0.00 N ATOM 1490 CA TYR A 94 4.337 -0.350 8.583 1.00 0.00 C ATOM 1491 C TYR A 94 4.397 0.082 7.119 1.00 0.00 C ATOM 1492 O TYR A 94 4.531 1.269 6.819 1.00 0.00 O ATOM 1493 CB TYR A 94 5.696 -0.881 9.043 1.00 0.00 C ATOM 1494 CG TYR A 94 6.781 0.167 9.105 1.00 0.00 C ATOM 1495 CD1 TYR A 94 6.688 1.235 9.986 1.00 0.00 C ATOM 1496 CD2 TYR A 94 7.907 0.081 8.297 1.00 0.00 C ATOM 1497 CE1 TYR A 94 7.684 2.187 10.061 1.00 0.00 C ATOM 1498 CE2 TYR A 94 8.907 1.032 8.365 1.00 0.00 C ATOM 1499 CZ TYR A 94 8.788 2.083 9.249 1.00 0.00 C ATOM 1500 OH TYR A 94 9.786 3.027 9.333 1.00 0.00 O ATOM 0 H TYR A 94 3.685 -2.256 9.138 1.00 0.00 H new ATOM 0 HA TYR A 94 4.075 0.525 9.177 1.00 0.00 H new ATOM 0 HB2 TYR A 94 5.583 -1.330 10.030 1.00 0.00 H new ATOM 0 HB3 TYR A 94 6.011 -1.675 8.366 1.00 0.00 H new ATOM 0 HD1 TYR A 94 5.821 1.323 10.624 1.00 0.00 H new ATOM 0 HD2 TYR A 94 8.003 -0.742 7.604 1.00 0.00 H new ATOM 0 HE1 TYR A 94 7.596 3.010 10.755 1.00 0.00 H new ATOM 0 HE2 TYR A 94 9.777 0.952 7.729 1.00 0.00 H new ATOM 0 HH TYR A 94 10.361 2.967 8.541 1.00 0.00 H new ATOM 1510 N LEU A 95 4.280 -0.887 6.217 1.00 0.00 N ATOM 1511 CA LEU A 95 4.300 -0.611 4.785 1.00 0.00 C ATOM 1512 C LEU A 95 3.102 0.246 4.378 1.00 0.00 C ATOM 1513 O LEU A 95 3.218 1.149 3.542 1.00 0.00 O ATOM 1514 CB LEU A 95 4.296 -1.922 3.991 1.00 0.00 C ATOM 1515 CG LEU A 95 5.448 -2.882 4.298 1.00 0.00 C ATOM 1516 CD1 LEU A 95 5.337 -4.139 3.447 1.00 0.00 C ATOM 1517 CD2 LEU A 95 6.791 -2.203 4.073 1.00 0.00 C ATOM 0 H LEU A 95 4.170 -1.873 6.453 1.00 0.00 H new ATOM 0 HA LEU A 95 5.213 -0.059 4.560 1.00 0.00 H new ATOM 0 HB2 LEU A 95 3.355 -2.439 4.181 1.00 0.00 H new ATOM 0 HB3 LEU A 95 4.319 -1.683 2.928 1.00 0.00 H new ATOM 0 HG LEU A 95 5.382 -3.168 5.348 1.00 0.00 H new ATOM 0 HD11 LEU A 95 6.164 -4.810 3.679 1.00 0.00 H new ATOM 0 HD12 LEU A 95 4.393 -4.640 3.660 1.00 0.00 H new ATOM 0 HD13 LEU A 95 5.374 -3.868 2.392 1.00 0.00 H new ATOM 0 HD21 LEU A 95 7.595 -2.904 4.297 1.00 0.00 H new ATOM 0 HD22 LEU A 95 6.868 -1.883 3.034 1.00 0.00 H new ATOM 0 HD23 LEU A 95 6.874 -1.335 4.727 1.00 0.00 H new ATOM 1529 N VAL A 96 1.953 -0.037 4.983 1.00 0.00 N ATOM 1530 CA VAL A 96 0.725 0.695 4.691 1.00 0.00 C ATOM 1531 C VAL A 96 0.854 2.154 5.112 1.00 0.00 C ATOM 1532 O VAL A 96 0.645 3.063 4.305 1.00 0.00 O ATOM 1533 CB VAL A 96 -0.495 0.063 5.398 1.00 0.00 C ATOM 1534 CG1 VAL A 96 -1.767 0.838 5.082 1.00 0.00 C ATOM 1535 CG2 VAL A 96 -0.650 -1.393 4.993 1.00 0.00 C ATOM 0 H VAL A 96 1.846 -0.772 5.682 1.00 0.00 H new ATOM 0 HA VAL A 96 0.567 0.641 3.614 1.00 0.00 H new ATOM 0 HB VAL A 96 -0.324 0.110 6.474 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -2.612 0.374 5.591 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -1.660 1.868 5.422 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -1.941 0.828 4.006 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.514 -1.822 5.501 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -0.794 -1.457 3.914 1.00 0.00 H new ATOM 0 HG23 VAL A 96 0.247 -1.946 5.273 1.00 0.00 H new ATOM 1545 N ASP A 97 1.221 2.371 6.372 1.00 0.00 N ATOM 1546 CA ASP A 97 1.362 3.721 6.907 1.00 0.00 C ATOM 1547 C ASP A 97 2.472 4.487 6.203 1.00 0.00 C ATOM 1548 O ASP A 97 2.360 5.694 6.009 1.00 0.00 O ATOM 1549 CB ASP A 97 1.623 3.697 8.411 1.00 0.00 C ATOM 1550 CG ASP A 97 0.356 3.906 9.215 1.00 0.00 C ATOM 1551 OD1 ASP A 97 -0.089 5.072 9.346 1.00 0.00 O ATOM 1552 OD2 ASP A 97 -0.209 2.916 9.720 1.00 0.00 O ATOM 0 H ASP A 97 1.426 1.629 7.041 1.00 0.00 H new ATOM 0 HA ASP A 97 0.418 4.235 6.724 1.00 0.00 H new ATOM 0 HB2 ASP A 97 2.072 2.742 8.685 1.00 0.00 H new ATOM 0 HB3 ASP A 97 2.345 4.473 8.665 1.00 0.00 H new ATOM 1557 N ALA A 98 3.534 3.788 5.810 1.00 0.00 N ATOM 1558 CA ALA A 98 4.632 4.417 5.080 1.00 0.00 C ATOM 1559 C ALA A 98 4.137 5.008 3.761 1.00 0.00 C ATOM 1560 O ALA A 98 4.569 6.086 3.348 1.00 0.00 O ATOM 1561 CB ALA A 98 5.750 3.418 4.821 1.00 0.00 C ATOM 0 H ALA A 98 3.658 2.791 5.984 1.00 0.00 H new ATOM 0 HA ALA A 98 5.025 5.225 5.696 1.00 0.00 H new ATOM 0 HB1 ALA A 98 6.557 3.908 4.276 1.00 0.00 H new ATOM 0 HB2 ALA A 98 6.130 3.042 5.771 1.00 0.00 H new ATOM 0 HB3 ALA A 98 5.366 2.587 4.230 1.00 0.00 H new ATOM 1567 N SER A 99 3.231 4.298 3.104 1.00 0.00 N ATOM 1568 CA SER A 99 2.665 4.760 1.845 1.00 0.00 C ATOM 1569 C SER A 99 1.613 5.843 2.084 1.00 0.00 C ATOM 1570 O SER A 99 1.532 6.822 1.342 1.00 0.00 O ATOM 1571 CB SER A 99 2.056 3.580 1.095 1.00 0.00 C ATOM 1572 OG SER A 99 3.000 2.531 0.966 1.00 0.00 O ATOM 0 H SER A 99 2.872 3.398 3.423 1.00 0.00 H new ATOM 0 HA SER A 99 3.461 5.196 1.242 1.00 0.00 H new ATOM 0 HB2 SER A 99 1.175 3.220 1.626 1.00 0.00 H new ATOM 0 HB3 SER A 99 1.724 3.902 0.108 1.00 0.00 H new ATOM 0 HG SER A 99 3.085 2.060 1.821 1.00 0.00 H new ATOM 1578 N TYR A 100 0.817 5.662 3.129 1.00 0.00 N ATOM 1579 CA TYR A 100 -0.226 6.617 3.478 1.00 0.00 C ATOM 1580 C TYR A 100 0.371 7.957 3.912 1.00 0.00 C ATOM 1581 O TYR A 100 -0.053 9.012 3.441 1.00 0.00 O ATOM 1582 CB TYR A 100 -1.109 6.040 4.592 1.00 0.00 C ATOM 1583 CG TYR A 100 -2.052 7.051 5.214 1.00 0.00 C ATOM 1584 CD1 TYR A 100 -3.136 7.561 4.506 1.00 0.00 C ATOM 1585 CD2 TYR A 100 -1.849 7.502 6.512 1.00 0.00 C ATOM 1586 CE1 TYR A 100 -3.988 8.492 5.075 1.00 0.00 C ATOM 1587 CE2 TYR A 100 -2.694 8.432 7.087 1.00 0.00 C ATOM 1588 CZ TYR A 100 -3.763 8.923 6.366 1.00 0.00 C ATOM 1589 OH TYR A 100 -4.598 9.859 6.937 1.00 0.00 O ATOM 0 H TYR A 100 0.875 4.857 3.753 1.00 0.00 H new ATOM 0 HA TYR A 100 -0.836 6.796 2.593 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -1.693 5.214 4.188 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -0.469 5.627 5.372 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -3.316 7.225 3.496 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -1.016 7.119 7.082 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -4.824 8.879 4.511 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -2.518 8.773 8.097 1.00 0.00 H new ATOM 0 HH TYR A 100 -5.474 9.826 6.499 1.00 0.00 H new ATOM 1599 N GLN A 101 1.363 7.899 4.796 1.00 0.00 N ATOM 1600 CA GLN A 101 1.965 9.097 5.373 1.00 0.00 C ATOM 1601 C GLN A 101 2.535 9.999 4.280 1.00 0.00 C ATOM 1602 O GLN A 101 2.238 11.195 4.233 1.00 0.00 O ATOM 1603 CB GLN A 101 3.062 8.696 6.369 1.00 0.00 C ATOM 1604 CG GLN A 101 3.299 9.716 7.477 1.00 0.00 C ATOM 1605 CD GLN A 101 3.992 10.973 6.992 1.00 0.00 C ATOM 1606 OE1 GLN A 101 4.813 10.932 6.078 1.00 0.00 O ATOM 1607 NE2 GLN A 101 3.661 12.099 7.599 1.00 0.00 N ATOM 0 H GLN A 101 1.770 7.026 5.131 1.00 0.00 H new ATOM 0 HA GLN A 101 1.194 9.658 5.901 1.00 0.00 H new ATOM 0 HB2 GLN A 101 2.796 7.740 6.820 1.00 0.00 H new ATOM 0 HB3 GLN A 101 3.994 8.543 5.825 1.00 0.00 H new ATOM 0 HG2 GLN A 101 2.342 9.986 7.924 1.00 0.00 H new ATOM 0 HG3 GLN A 101 3.900 9.257 8.262 1.00 0.00 H new ATOM 0 HE21 GLN A 101 2.975 12.089 8.354 1.00 0.00 H new ATOM 0 HE22 GLN A 101 4.092 12.978 7.313 1.00 0.00 H new ATOM 1616 N GLN A 102 3.330 9.414 3.389 1.00 0.00 N ATOM 1617 CA GLN A 102 3.994 10.181 2.337 1.00 0.00 C ATOM 1618 C GLN A 102 2.973 10.836 1.403 1.00 0.00 C ATOM 1619 O GLN A 102 3.206 11.928 0.890 1.00 0.00 O ATOM 1620 CB GLN A 102 4.957 9.293 1.538 1.00 0.00 C ATOM 1621 CG GLN A 102 4.273 8.214 0.713 1.00 0.00 C ATOM 1622 CD GLN A 102 5.256 7.292 0.024 1.00 0.00 C ATOM 1623 OE1 GLN A 102 5.695 7.551 -1.098 1.00 0.00 O ATOM 1624 NE2 GLN A 102 5.614 6.207 0.692 1.00 0.00 N ATOM 0 H GLN A 102 3.531 8.414 3.373 1.00 0.00 H new ATOM 0 HA GLN A 102 4.571 10.971 2.818 1.00 0.00 H new ATOM 0 HB2 GLN A 102 5.547 9.923 0.873 1.00 0.00 H new ATOM 0 HB3 GLN A 102 5.654 8.819 2.229 1.00 0.00 H new ATOM 0 HG2 GLN A 102 3.622 7.626 1.360 1.00 0.00 H new ATOM 0 HG3 GLN A 102 3.636 8.685 -0.036 1.00 0.00 H new ATOM 0 HE21 GLN A 102 5.228 6.028 1.619 1.00 0.00 H new ATOM 0 HE22 GLN A 102 6.276 5.550 0.280 1.00 0.00 H new ATOM 1633 N ALA A 103 1.839 10.169 1.204 1.00 0.00 N ATOM 1634 CA ALA A 103 0.787 10.688 0.339 1.00 0.00 C ATOM 1635 C ALA A 103 0.126 11.909 0.965 1.00 0.00 C ATOM 1636 O ALA A 103 -0.203 12.871 0.273 1.00 0.00 O ATOM 1637 CB ALA A 103 -0.247 9.609 0.053 1.00 0.00 C ATOM 0 H ALA A 103 1.626 9.267 1.631 1.00 0.00 H new ATOM 0 HA ALA A 103 1.240 10.993 -0.605 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -1.025 10.013 -0.594 1.00 0.00 H new ATOM 0 HB2 ALA A 103 0.235 8.766 -0.442 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -0.692 9.274 0.990 1.00 0.00 H new ATOM 1643 N VAL A 104 -0.046 11.872 2.282 1.00 0.00 N ATOM 1644 CA VAL A 104 -0.644 12.987 3.012 1.00 0.00 C ATOM 1645 C VAL A 104 0.249 14.221 2.929 1.00 0.00 C ATOM 1646 O VAL A 104 -0.236 15.348 2.823 1.00 0.00 O ATOM 1647 CB VAL A 104 -0.889 12.629 4.495 1.00 0.00 C ATOM 1648 CG1 VAL A 104 -1.478 13.808 5.254 1.00 0.00 C ATOM 1649 CG2 VAL A 104 -1.810 11.427 4.602 1.00 0.00 C ATOM 0 H VAL A 104 0.220 11.081 2.868 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.606 13.201 2.546 1.00 0.00 H new ATOM 0 HB VAL A 104 0.073 12.381 4.944 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -1.640 13.527 6.295 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -0.788 14.651 5.209 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -2.429 14.093 4.803 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -1.974 11.186 5.652 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -2.765 11.657 4.129 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -1.354 10.573 4.101 1.00 0.00 H new ATOM 1659 N ASN A 105 1.555 13.993 2.957 1.00 0.00 N ATOM 1660 CA ASN A 105 2.528 15.078 2.864 1.00 0.00 C ATOM 1661 C ASN A 105 2.532 15.700 1.470 1.00 0.00 C ATOM 1662 O ASN A 105 3.046 16.801 1.274 1.00 0.00 O ATOM 1663 CB ASN A 105 3.935 14.577 3.212 1.00 0.00 C ATOM 1664 CG ASN A 105 4.172 14.446 4.707 1.00 0.00 C ATOM 1665 OD1 ASN A 105 3.248 14.210 5.485 1.00 0.00 O ATOM 1666 ND2 ASN A 105 5.422 14.603 5.119 1.00 0.00 N ATOM 0 H ASN A 105 1.968 13.064 3.044 1.00 0.00 H new ATOM 0 HA ASN A 105 2.235 15.843 3.583 1.00 0.00 H new ATOM 0 HB2 ASN A 105 4.096 13.608 2.739 1.00 0.00 H new ATOM 0 HB3 ASN A 105 4.672 15.262 2.793 1.00 0.00 H new ATOM 0 HD21 ASN A 105 5.645 14.529 6.112 1.00 0.00 H new ATOM 0 HD22 ASN A 105 6.161 14.798 4.443 1.00 0.00 H new ATOM 1673 N LEU A 106 1.964 14.994 0.502 1.00 0.00 N ATOM 1674 CA LEU A 106 1.920 15.484 -0.868 1.00 0.00 C ATOM 1675 C LEU A 106 0.592 16.177 -1.164 1.00 0.00 C ATOM 1676 O LEU A 106 0.399 16.733 -2.246 1.00 0.00 O ATOM 1677 CB LEU A 106 2.138 14.329 -1.849 1.00 0.00 C ATOM 1678 CG LEU A 106 3.511 13.657 -1.767 1.00 0.00 C ATOM 1679 CD1 LEU A 106 3.597 12.490 -2.739 1.00 0.00 C ATOM 1680 CD2 LEU A 106 4.619 14.664 -2.045 1.00 0.00 C ATOM 0 H LEU A 106 1.528 14.082 0.640 1.00 0.00 H new ATOM 0 HA LEU A 106 2.719 16.215 -0.990 1.00 0.00 H new ATOM 0 HB2 LEU A 106 1.371 13.575 -1.674 1.00 0.00 H new ATOM 0 HB3 LEU A 106 1.993 14.702 -2.863 1.00 0.00 H new ATOM 0 HG LEU A 106 3.641 13.272 -0.756 1.00 0.00 H new ATOM 0 HD11 LEU A 106 4.581 12.026 -2.665 1.00 0.00 H new ATOM 0 HD12 LEU A 106 2.830 11.755 -2.494 1.00 0.00 H new ATOM 0 HD13 LEU A 106 3.442 12.851 -3.756 1.00 0.00 H new ATOM 0 HD21 LEU A 106 5.587 14.167 -1.982 1.00 0.00 H new ATOM 0 HD22 LEU A 106 4.490 15.081 -3.044 1.00 0.00 H new ATOM 0 HD23 LEU A 106 4.575 15.466 -1.308 1.00 0.00 H new ATOM 1692 N LEU A 107 -0.316 16.137 -0.199 1.00 0.00 N ATOM 1693 CA LEU A 107 -1.631 16.740 -0.355 1.00 0.00 C ATOM 1694 C LEU A 107 -1.585 18.230 -0.017 1.00 0.00 C ATOM 1695 O LEU A 107 -0.816 18.654 0.846 1.00 0.00 O ATOM 1696 CB LEU A 107 -2.650 16.024 0.537 1.00 0.00 C ATOM 1697 CG LEU A 107 -2.895 14.553 0.196 1.00 0.00 C ATOM 1698 CD1 LEU A 107 -3.851 13.931 1.199 1.00 0.00 C ATOM 1699 CD2 LEU A 107 -3.441 14.422 -1.218 1.00 0.00 C ATOM 0 H LEU A 107 -0.164 15.690 0.705 1.00 0.00 H new ATOM 0 HA LEU A 107 -1.938 16.634 -1.395 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -2.312 16.089 1.571 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -3.599 16.557 0.477 1.00 0.00 H new ATOM 0 HG LEU A 107 -1.946 14.019 0.249 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -4.016 12.884 0.944 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -3.423 13.997 2.199 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -4.801 14.464 1.175 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -3.610 13.370 -1.447 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -4.382 14.966 -1.297 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -2.722 14.836 -1.925 1.00 0.00 H new ATOM 1711 N PRO A 108 -2.399 19.045 -0.708 1.00 0.00 N ATOM 1712 CA PRO A 108 -2.438 20.496 -0.501 1.00 0.00 C ATOM 1713 C PRO A 108 -3.107 20.894 0.815 1.00 0.00 C ATOM 1714 O PRO A 108 -3.757 20.072 1.470 1.00 0.00 O ATOM 1715 CB PRO A 108 -3.265 21.018 -1.689 1.00 0.00 C ATOM 1716 CG PRO A 108 -3.423 19.856 -2.615 1.00 0.00 C ATOM 1717 CD PRO A 108 -3.326 18.628 -1.764 1.00 0.00 C ATOM 0 HA PRO A 108 -1.431 20.910 -0.445 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -4.235 21.389 -1.358 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -2.759 21.847 -2.184 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -4.382 19.897 -3.131 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -2.648 19.861 -3.381 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -4.296 18.336 -1.361 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -2.945 17.775 -2.325 1.00 0.00 H new ATOM 1725 N GLU A 109 -2.951 22.173 1.169 1.00 0.00 N ATOM 1726 CA GLU A 109 -3.513 22.749 2.395 1.00 0.00 C ATOM 1727 C GLU A 109 -4.963 22.327 2.606 1.00 0.00 C ATOM 1728 O GLU A 109 -5.296 21.707 3.613 1.00 0.00 O ATOM 1729 CB GLU A 109 -3.444 24.279 2.311 1.00 0.00 C ATOM 1730 CG GLU A 109 -4.062 25.008 3.498 1.00 0.00 C ATOM 1731 CD GLU A 109 -3.181 25.019 4.734 1.00 0.00 C ATOM 1732 OE1 GLU A 109 -2.840 23.936 5.247 1.00 0.00 O ATOM 1733 OE2 GLU A 109 -2.851 26.121 5.218 1.00 0.00 O ATOM 0 H GLU A 109 -2.426 22.844 0.608 1.00 0.00 H new ATOM 0 HA GLU A 109 -2.927 22.382 3.238 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -2.400 24.578 2.221 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -3.948 24.603 1.400 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -4.279 26.036 3.208 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -5.014 24.539 3.746 1.00 0.00 H new ATOM 1740 N GLU A 110 -5.801 22.650 1.625 1.00 0.00 N ATOM 1741 CA GLU A 110 -7.245 22.445 1.702 1.00 0.00 C ATOM 1742 C GLU A 110 -7.608 21.044 2.184 1.00 0.00 C ATOM 1743 O GLU A 110 -8.422 20.878 3.096 1.00 0.00 O ATOM 1744 CB GLU A 110 -7.853 22.680 0.325 1.00 0.00 C ATOM 1745 CG GLU A 110 -9.359 22.522 0.294 1.00 0.00 C ATOM 1746 CD GLU A 110 -9.920 22.584 -1.107 1.00 0.00 C ATOM 1747 OE1 GLU A 110 -9.940 23.685 -1.696 1.00 0.00 O ATOM 1748 OE2 GLU A 110 -10.355 21.533 -1.624 1.00 0.00 O ATOM 0 H GLU A 110 -5.494 23.066 0.745 1.00 0.00 H new ATOM 0 HA GLU A 110 -7.644 23.153 2.429 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -7.594 23.684 -0.011 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -7.408 21.982 -0.384 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -9.630 21.569 0.748 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -9.815 23.305 0.899 1.00 0.00 H new ATOM 1755 N LYS A 111 -6.995 20.044 1.573 1.00 0.00 N ATOM 1756 CA LYS A 111 -7.290 18.653 1.887 1.00 0.00 C ATOM 1757 C LYS A 111 -6.758 18.273 3.261 1.00 0.00 C ATOM 1758 O LYS A 111 -7.439 17.602 4.039 1.00 0.00 O ATOM 1759 CB LYS A 111 -6.703 17.732 0.815 1.00 0.00 C ATOM 1760 CG LYS A 111 -7.605 17.539 -0.401 1.00 0.00 C ATOM 1761 CD LYS A 111 -7.973 18.864 -1.054 1.00 0.00 C ATOM 1762 CE LYS A 111 -8.905 18.677 -2.240 1.00 0.00 C ATOM 1763 NZ LYS A 111 -10.150 17.945 -1.873 1.00 0.00 N ATOM 0 H LYS A 111 -6.285 20.170 0.852 1.00 0.00 H new ATOM 0 HA LYS A 111 -8.373 18.533 1.902 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -5.748 18.139 0.484 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -6.498 16.758 1.260 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -7.101 16.904 -1.129 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -8.514 17.019 -0.099 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -8.450 19.511 -0.317 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -7.065 19.370 -1.383 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -9.167 19.652 -2.650 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -8.384 18.131 -3.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -10.824 17.989 -2.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -9.921 16.951 -1.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -10.575 18.383 -1.031 1.00 0.00 H new ATOM 1777 N ARG A 112 -5.548 18.718 3.565 1.00 0.00 N ATOM 1778 CA ARG A 112 -4.920 18.410 4.841 1.00 0.00 C ATOM 1779 C ARG A 112 -5.672 19.042 6.011 1.00 0.00 C ATOM 1780 O ARG A 112 -5.613 18.532 7.128 1.00 0.00 O ATOM 1781 CB ARG A 112 -3.460 18.857 4.847 1.00 0.00 C ATOM 1782 CG ARG A 112 -2.596 18.125 3.833 1.00 0.00 C ATOM 1783 CD ARG A 112 -1.118 18.385 4.065 1.00 0.00 C ATOM 1784 NE ARG A 112 -0.641 17.763 5.302 1.00 0.00 N ATOM 1785 CZ ARG A 112 0.238 18.326 6.132 1.00 0.00 C ATOM 1786 NH1 ARG A 112 0.718 19.536 5.880 1.00 0.00 N ATOM 1787 NH2 ARG A 112 0.637 17.679 7.221 1.00 0.00 N ATOM 0 H ARG A 112 -4.980 19.295 2.944 1.00 0.00 H new ATOM 0 HA ARG A 112 -4.958 17.328 4.967 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -3.415 19.927 4.645 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -3.046 18.703 5.843 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -2.791 17.054 3.894 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -2.868 18.442 2.826 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -0.545 18.001 3.221 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -0.941 19.460 4.107 1.00 0.00 H new ATOM 0 HE ARG A 112 -1.004 16.841 5.544 1.00 0.00 H new ATOM 0 HH11 ARG A 112 0.415 20.042 5.047 1.00 0.00 H new ATOM 0 HH12 ARG A 112 1.390 19.961 6.519 1.00 0.00 H new ATOM 0 HH21 ARG A 112 0.271 16.749 7.424 1.00 0.00 H new ATOM 0 HH22 ARG A 112 1.309 18.112 7.854 1.00 0.00 H new ATOM 1801 N LYS A 113 -6.382 20.147 5.758 1.00 0.00 N ATOM 1802 CA LYS A 113 -7.155 20.820 6.795 1.00 0.00 C ATOM 1803 C LYS A 113 -8.142 19.861 7.448 1.00 0.00 C ATOM 1804 O LYS A 113 -8.324 19.871 8.665 1.00 0.00 O ATOM 1805 CB LYS A 113 -7.913 22.014 6.211 1.00 0.00 C ATOM 1806 CG LYS A 113 -7.041 23.083 5.561 1.00 0.00 C ATOM 1807 CD LYS A 113 -6.184 23.857 6.561 1.00 0.00 C ATOM 1808 CE LYS A 113 -5.048 23.018 7.133 1.00 0.00 C ATOM 1809 NZ LYS A 113 -4.048 23.855 7.843 1.00 0.00 N ATOM 0 H LYS A 113 -6.434 20.591 4.841 1.00 0.00 H new ATOM 0 HA LYS A 113 -6.456 21.174 7.552 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -8.622 21.646 5.469 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -8.496 22.478 7.007 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -6.390 22.612 4.824 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -7.679 23.783 5.022 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -5.769 24.739 6.072 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -6.815 24.212 7.376 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -5.455 22.276 7.820 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -4.558 22.472 6.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -3.686 23.337 8.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -3.261 24.076 7.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -4.496 24.739 8.158 1.00 0.00 H new ATOM 1823 N LEU A 114 -8.778 19.037 6.631 1.00 0.00 N ATOM 1824 CA LEU A 114 -9.714 18.051 7.113 1.00 0.00 C ATOM 1825 C LEU A 114 -8.990 16.965 7.894 1.00 0.00 C ATOM 1826 O LEU A 114 -9.408 16.581 8.985 1.00 0.00 O ATOM 1827 CB LEU A 114 -10.441 17.441 5.922 1.00 0.00 C ATOM 1828 CG LEU A 114 -11.309 18.409 5.115 1.00 0.00 C ATOM 1829 CD1 LEU A 114 -11.900 17.705 3.904 1.00 0.00 C ATOM 1830 CD2 LEU A 114 -12.415 18.987 5.985 1.00 0.00 C ATOM 0 H LEU A 114 -8.656 19.038 5.618 1.00 0.00 H new ATOM 0 HA LEU A 114 -10.431 18.528 7.781 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -9.701 17.000 5.254 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -11.072 16.628 6.281 1.00 0.00 H new ATOM 0 HG LEU A 114 -10.680 19.229 4.768 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -12.515 18.406 3.340 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -11.095 17.336 3.269 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -12.515 16.867 4.234 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -13.022 19.673 5.394 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -13.043 18.179 6.360 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -11.974 19.524 6.825 1.00 0.00 H new ATOM 1842 N LEU A 115 -7.881 16.506 7.331 1.00 0.00 N ATOM 1843 CA LEU A 115 -7.111 15.400 7.897 1.00 0.00 C ATOM 1844 C LEU A 115 -6.590 15.726 9.297 1.00 0.00 C ATOM 1845 O LEU A 115 -6.442 14.838 10.136 1.00 0.00 O ATOM 1846 CB LEU A 115 -5.933 15.060 6.980 1.00 0.00 C ATOM 1847 CG LEU A 115 -6.283 14.896 5.499 1.00 0.00 C ATOM 1848 CD1 LEU A 115 -5.055 14.488 4.703 1.00 0.00 C ATOM 1849 CD2 LEU A 115 -7.399 13.880 5.314 1.00 0.00 C ATOM 0 H LEU A 115 -7.488 16.887 6.470 1.00 0.00 H new ATOM 0 HA LEU A 115 -7.780 14.543 7.978 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -5.182 15.845 7.074 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -5.474 14.136 7.332 1.00 0.00 H new ATOM 0 HG LEU A 115 -6.634 15.858 5.126 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -5.323 14.376 3.652 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -4.286 15.254 4.802 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -4.673 13.540 5.083 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -7.629 13.782 4.253 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -7.081 12.915 5.707 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -8.288 14.215 5.849 1.00 0.00 H new ATOM 1861 N VAL A 116 -6.302 17.000 9.540 1.00 0.00 N ATOM 1862 CA VAL A 116 -5.781 17.434 10.834 1.00 0.00 C ATOM 1863 C VAL A 116 -6.905 17.591 11.856 1.00 0.00 C ATOM 1864 O VAL A 116 -6.723 17.313 13.044 1.00 0.00 O ATOM 1865 CB VAL A 116 -5.006 18.766 10.712 1.00 0.00 C ATOM 1866 CG1 VAL A 116 -4.481 19.223 12.064 1.00 0.00 C ATOM 1867 CG2 VAL A 116 -3.862 18.631 9.721 1.00 0.00 C ATOM 0 H VAL A 116 -6.420 17.751 8.860 1.00 0.00 H new ATOM 0 HA VAL A 116 -5.095 16.660 11.177 1.00 0.00 H new ATOM 0 HB VAL A 116 -5.700 19.522 10.345 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -3.941 20.162 11.946 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -5.317 19.369 12.748 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -3.809 18.466 12.468 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -3.329 19.579 9.649 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -3.177 17.854 10.060 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -4.259 18.363 8.742 1.00 0.00 H new ATOM 1877 N GLN A 117 -8.069 18.025 11.392 1.00 0.00 N ATOM 1878 CA GLN A 117 -9.200 18.258 12.269 1.00 0.00 C ATOM 1879 C GLN A 117 -9.833 16.946 12.725 1.00 0.00 C ATOM 1880 O GLN A 117 -10.407 16.871 13.811 1.00 0.00 O ATOM 1881 CB GLN A 117 -10.227 19.134 11.559 1.00 0.00 C ATOM 1882 CG GLN A 117 -9.793 20.586 11.420 1.00 0.00 C ATOM 1883 CD GLN A 117 -10.802 21.430 10.668 1.00 0.00 C ATOM 1884 OE1 GLN A 117 -11.716 22.003 11.261 1.00 0.00 O ATOM 1885 NE2 GLN A 117 -10.639 21.514 9.358 1.00 0.00 N ATOM 0 H GLN A 117 -8.251 18.223 10.408 1.00 0.00 H new ATOM 0 HA GLN A 117 -8.844 18.773 13.161 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -10.419 18.724 10.568 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -11.168 19.095 12.108 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -9.638 21.011 12.412 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -8.835 20.626 10.902 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -9.867 21.022 8.908 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -11.285 22.070 8.798 1.00 0.00 H new ATOM 1894 N LEU A 118 -9.724 15.918 11.896 1.00 0.00 N ATOM 1895 CA LEU A 118 -10.282 14.615 12.223 1.00 0.00 C ATOM 1896 C LEU A 118 -9.443 13.925 13.294 1.00 0.00 C ATOM 1897 O LEU A 118 -9.915 13.833 14.448 1.00 0.00 O ATOM 1898 CB LEU A 118 -10.367 13.741 10.970 1.00 0.00 C ATOM 1899 CG LEU A 118 -11.331 14.241 9.887 1.00 0.00 C ATOM 1900 CD1 LEU A 118 -11.294 13.327 8.672 1.00 0.00 C ATOM 1901 CD2 LEU A 118 -12.745 14.337 10.438 1.00 0.00 C ATOM 0 H LEU A 118 -9.254 15.962 10.992 1.00 0.00 H new ATOM 0 HA LEU A 118 -11.289 14.762 12.615 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -9.370 13.658 10.536 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -10.670 12.737 11.267 1.00 0.00 H new ATOM 0 HG LEU A 118 -11.012 15.236 9.576 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -11.985 13.699 7.916 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -10.284 13.307 8.263 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -11.587 12.319 8.966 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -13.416 14.693 9.657 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -13.071 13.353 10.776 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -12.762 15.033 11.277 1.00 0.00 H new