USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 737 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 74 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 88 HIS : no HE2:sc= -8.92! C(o=-8.9!,f=-11!) USER MOD Set 2.1: A 59 HIS : no HE2:sc= -0.689 K(o=-0.69,f=-4.6!) USER MOD Set 2.2: A 61 MET CE :methyl -156:sc= 0 (180deg=0) USER MOD Set 3.1: A 35 HIS : no HE2:sc= -2.23! C(o=-1.7!,f=-7.5!) USER MOD Set 3.2: A 55 SER OG : rot 180:sc= 0.49 USER MOD Set 4.1: A 25 LYS NZ :NH3+ -150:sc= -0.665 (180deg=-1.27) USER MOD Set 4.2: A 31 SER OG : rot -35:sc= 0.318 USER MOD Set 5.1: A 11 GLN : amide:sc= 0.217 X(o=0.43,f=0) USER MOD Set 5.2: A 22 ASN :FLIP amide:sc= 0.212 F(o=-1.6,f=0.43) USER MOD Set 6.1: A 1 ALA N :NH3+ -129:sc= 0.49 (180deg=-0.0797) USER MOD Set 6.2: A 79 ASN : amide:sc= -9.58! C(o=-8.4!,f=-16!) USER MOD Set 6.3: A 81 GLN : amide:sc= 0.734 K(o=-8.4,f=-14!) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -120:sc= 0.483 (180deg=0) USER MOD Single : A 12 MET CE :methyl -112:sc= -1.99 (180deg=-8.54!) USER MOD Single : A 17 ASN : amide:sc= -0.986 K(o=-0.99,f=-4!) USER MOD Single : A 18 SER OG : rot 180:sc= -0.0461 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -4.91! C(o=-4.9!,f=-7.7!) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 30:sc= -1.45 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -161:sc= -0.0423 (180deg=-0.441) USER MOD Single : A 57 SER OG : rot 79:sc= -0.0827 USER MOD Single : A 63 LYS NZ :NH3+ 159:sc= -0.074 (180deg=-0.586) USER MOD Single : A 64 SER OG : rot -57:sc= 0.227 USER MOD Single : A 68 ASN :FLIP amide:sc= 0.842 F(o=-0.32,f=0.84) USER MOD Single : A 71 TYR OH : rot -82:sc= -0.628 USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 LYS NZ :NH3+ -157:sc= -0.113 (180deg=-0.682) USER MOD Single : A 84 SER OG : rot -84:sc= -1.16 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot 86:sc= 0.495 USER MOD Single : A 94 SER OG : rot 180:sc= 0.108 USER MOD Single : A 96 GLN : amide:sc= -0.472 X(o=-0.47,f=-0.085) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 3.123 21.536 9.407 1.00 0.00 N ATOM 2 CA ALA A 1 3.496 20.473 10.383 1.00 0.00 C ATOM 3 C ALA A 1 3.773 19.162 9.642 1.00 0.00 C ATOM 4 O ALA A 1 4.751 18.489 9.904 1.00 0.00 O ATOM 5 CB ALA A 1 2.352 20.251 11.376 1.00 0.00 C ATOM 0 H1 ALA A 1 3.707 22.380 9.574 1.00 0.00 H new ATOM 0 H2 ALA A 1 3.283 21.190 8.439 1.00 0.00 H new ATOM 0 H3 ALA A 1 2.119 21.780 9.526 1.00 0.00 H new ATOM 0 HA ALA A 1 4.391 20.789 10.920 1.00 0.00 H new ATOM 0 HB1 ALA A 1 2.632 19.473 12.086 1.00 0.00 H new ATOM 0 HB2 ALA A 1 2.152 21.178 11.914 1.00 0.00 H new ATOM 0 HB3 ALA A 1 1.456 19.944 10.836 1.00 0.00 H new ATOM 13 N GLY A 2 2.899 18.840 8.727 1.00 0.00 N ATOM 14 CA GLY A 2 3.055 17.577 7.951 1.00 0.00 C ATOM 15 C GLY A 2 1.675 17.002 7.618 1.00 0.00 C ATOM 16 O GLY A 2 0.712 17.264 8.313 1.00 0.00 O ATOM 0 H GLY A 2 2.081 19.399 8.483 1.00 0.00 H new ATOM 0 HA2 GLY A 2 3.611 17.769 7.033 1.00 0.00 H new ATOM 0 HA3 GLY A 2 3.632 16.854 8.527 1.00 0.00 H new ATOM 20 N PRO A 3 1.611 16.230 6.565 1.00 0.00 N ATOM 21 CA PRO A 3 0.329 15.645 6.097 1.00 0.00 C ATOM 22 C PRO A 3 -0.232 14.597 7.058 1.00 0.00 C ATOM 23 O PRO A 3 0.418 14.178 7.996 1.00 0.00 O ATOM 24 CB PRO A 3 0.681 14.944 4.775 1.00 0.00 C ATOM 25 CG PRO A 3 2.179 15.196 4.489 1.00 0.00 C ATOM 26 CD PRO A 3 2.780 15.918 5.702 1.00 0.00 C ATOM 0 HA PRO A 3 -0.428 16.425 6.010 1.00 0.00 H new ATOM 0 HB2 PRO A 3 0.480 13.875 4.845 1.00 0.00 H new ATOM 0 HB3 PRO A 3 0.067 15.331 3.962 1.00 0.00 H new ATOM 0 HG2 PRO A 3 2.697 14.253 4.312 1.00 0.00 H new ATOM 0 HG3 PRO A 3 2.299 15.799 3.589 1.00 0.00 H new ATOM 0 HD2 PRO A 3 3.501 15.287 6.223 1.00 0.00 H new ATOM 0 HD3 PRO A 3 3.307 16.825 5.404 1.00 0.00 H new ATOM 34 N SER A 4 -1.443 14.205 6.772 1.00 0.00 N ATOM 35 CA SER A 4 -2.057 13.061 7.506 1.00 0.00 C ATOM 36 C SER A 4 -1.566 11.767 6.852 1.00 0.00 C ATOM 37 O SER A 4 -0.524 11.763 6.227 1.00 0.00 O ATOM 38 CB SER A 4 -3.582 13.165 7.371 1.00 0.00 C ATOM 39 OG SER A 4 -3.886 14.417 7.968 1.00 0.00 O ATOM 0 H SER A 4 -2.036 14.629 6.059 1.00 0.00 H new ATOM 0 HA SER A 4 -1.783 13.072 8.561 1.00 0.00 H new ATOM 0 HB2 SER A 4 -3.895 13.132 6.327 1.00 0.00 H new ATOM 0 HB3 SER A 4 -4.086 12.345 7.881 1.00 0.00 H new ATOM 0 HG SER A 4 -4.853 14.573 7.926 1.00 0.00 H new ATOM 45 N ALA A 5 -2.300 10.702 7.027 1.00 0.00 N ATOM 46 CA ALA A 5 -1.952 9.443 6.305 1.00 0.00 C ATOM 47 C ALA A 5 -2.946 9.263 5.153 1.00 0.00 C ATOM 48 O ALA A 5 -4.086 9.667 5.261 1.00 0.00 O ATOM 49 CB ALA A 5 -2.083 8.272 7.284 1.00 0.00 C ATOM 0 H ALA A 5 -3.119 10.648 7.633 1.00 0.00 H new ATOM 0 HA ALA A 5 -0.935 9.483 5.915 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -1.832 7.342 6.774 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -1.403 8.421 8.123 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -3.107 8.219 7.653 1.00 0.00 H new ATOM 55 N PRO A 6 -2.500 8.665 4.079 1.00 0.00 N ATOM 56 CA PRO A 6 -3.360 8.491 2.884 1.00 0.00 C ATOM 57 C PRO A 6 -4.503 7.521 3.179 1.00 0.00 C ATOM 58 O PRO A 6 -4.448 6.753 4.119 1.00 0.00 O ATOM 59 CB PRO A 6 -2.429 7.885 1.823 1.00 0.00 C ATOM 60 CG PRO A 6 -1.129 7.446 2.543 1.00 0.00 C ATOM 61 CD PRO A 6 -1.137 8.091 3.944 1.00 0.00 C ATOM 0 HA PRO A 6 -3.811 9.431 2.566 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -2.905 7.033 1.337 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -2.209 8.615 1.044 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -1.081 6.360 2.621 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -0.252 7.764 1.979 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -0.938 7.354 4.722 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -0.371 8.862 4.031 1.00 0.00 H new ATOM 69 N LYS A 7 -5.519 7.589 2.365 1.00 0.00 N ATOM 70 CA LYS A 7 -6.633 6.608 2.493 1.00 0.00 C ATOM 71 C LYS A 7 -6.426 5.550 1.411 1.00 0.00 C ATOM 72 O LYS A 7 -6.263 5.877 0.252 1.00 0.00 O ATOM 73 CB LYS A 7 -7.961 7.344 2.273 1.00 0.00 C ATOM 74 CG LYS A 7 -9.078 6.616 3.036 1.00 0.00 C ATOM 75 CD LYS A 7 -9.736 5.575 2.120 1.00 0.00 C ATOM 76 CE LYS A 7 -10.552 6.297 1.039 1.00 0.00 C ATOM 77 NZ LYS A 7 -11.885 5.647 0.891 1.00 0.00 N ATOM 0 H LYS A 7 -5.627 8.278 1.620 1.00 0.00 H new ATOM 0 HA LYS A 7 -6.651 6.140 3.477 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -7.880 8.374 2.619 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -8.197 7.382 1.209 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -8.669 6.129 3.921 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -9.823 7.333 3.382 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -8.975 4.946 1.658 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -10.382 4.918 2.702 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -10.677 7.346 1.306 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -10.018 6.271 0.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -11.994 5.297 -0.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -11.959 4.851 1.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -12.633 6.339 1.096 1.00 0.00 H new ATOM 91 N LEU A 8 -6.394 4.308 1.811 1.00 0.00 N ATOM 92 CA LEU A 8 -6.078 3.242 0.821 1.00 0.00 C ATOM 93 C LEU A 8 -7.361 2.546 0.362 1.00 0.00 C ATOM 94 O LEU A 8 -8.026 1.881 1.132 1.00 0.00 O ATOM 95 CB LEU A 8 -5.145 2.218 1.482 1.00 0.00 C ATOM 96 CG LEU A 8 -3.952 2.943 2.134 1.00 0.00 C ATOM 97 CD1 LEU A 8 -3.083 1.907 2.851 1.00 0.00 C ATOM 98 CD2 LEU A 8 -3.097 3.625 1.056 1.00 0.00 C ATOM 0 H LEU A 8 -6.570 3.990 2.764 1.00 0.00 H new ATOM 0 HA LEU A 8 -5.594 3.686 -0.049 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -5.691 1.648 2.234 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -4.787 1.506 0.739 1.00 0.00 H new ATOM 0 HG LEU A 8 -4.325 3.692 2.833 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.233 2.405 3.318 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -3.674 1.403 3.616 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.722 1.173 2.130 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.256 4.135 1.527 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.723 2.874 0.360 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -3.704 4.351 0.515 1.00 0.00 H new ATOM 110 N GLU A 9 -7.671 2.730 -0.891 1.00 0.00 N ATOM 111 CA GLU A 9 -8.875 2.063 -1.468 1.00 0.00 C ATOM 112 C GLU A 9 -8.422 0.804 -2.208 1.00 0.00 C ATOM 113 O GLU A 9 -7.376 0.803 -2.825 1.00 0.00 O ATOM 114 CB GLU A 9 -9.539 3.031 -2.452 1.00 0.00 C ATOM 115 CG GLU A 9 -10.969 2.557 -2.735 1.00 0.00 C ATOM 116 CD GLU A 9 -11.876 3.782 -2.884 1.00 0.00 C ATOM 117 OE1 GLU A 9 -12.068 4.428 -1.866 1.00 0.00 O ATOM 118 OE2 GLU A 9 -12.314 4.004 -4.000 1.00 0.00 O ATOM 0 H GLU A 9 -7.144 3.313 -1.541 1.00 0.00 H new ATOM 0 HA GLU A 9 -9.584 1.793 -0.685 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -9.552 4.039 -2.037 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -8.967 3.076 -3.379 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -10.994 1.956 -3.644 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -11.323 1.922 -1.923 1.00 0.00 H new ATOM 125 N GLY A 10 -9.221 -0.227 -2.151 1.00 0.00 N ATOM 126 CA GLY A 10 -8.753 -1.541 -2.675 1.00 0.00 C ATOM 127 C GLY A 10 -9.538 -2.014 -3.896 1.00 0.00 C ATOM 128 O GLY A 10 -10.752 -1.986 -3.915 1.00 0.00 O ATOM 0 H GLY A 10 -10.167 -0.217 -1.769 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -7.697 -1.466 -2.936 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -8.834 -2.289 -1.887 1.00 0.00 H new ATOM 132 N GLN A 11 -8.804 -2.432 -4.893 1.00 0.00 N ATOM 133 CA GLN A 11 -9.435 -3.119 -6.056 1.00 0.00 C ATOM 134 C GLN A 11 -8.753 -4.475 -6.254 1.00 0.00 C ATOM 135 O GLN A 11 -7.542 -4.558 -6.313 1.00 0.00 O ATOM 136 CB GLN A 11 -9.227 -2.257 -7.305 1.00 0.00 C ATOM 137 CG GLN A 11 -10.076 -0.990 -7.178 1.00 0.00 C ATOM 138 CD GLN A 11 -9.828 -0.102 -8.399 1.00 0.00 C ATOM 139 OE1 GLN A 11 -10.096 -0.479 -9.523 1.00 0.00 O ATOM 140 NE2 GLN A 11 -9.319 1.086 -8.222 1.00 0.00 N ATOM 0 H GLN A 11 -7.791 -2.326 -4.951 1.00 0.00 H new ATOM 0 HA GLN A 11 -10.501 -3.265 -5.881 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -8.174 -1.996 -7.412 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -9.510 -2.813 -8.199 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -11.132 -1.250 -7.109 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -9.819 -0.454 -6.264 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -9.092 1.409 -7.281 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -9.148 1.692 -9.024 1.00 0.00 H new ATOM 149 N MET A 12 -9.544 -5.511 -6.339 1.00 0.00 N ATOM 150 CA MET A 12 -8.960 -6.869 -6.533 1.00 0.00 C ATOM 151 C MET A 12 -9.216 -7.340 -7.966 1.00 0.00 C ATOM 152 O MET A 12 -10.314 -7.229 -8.474 1.00 0.00 O ATOM 153 CB MET A 12 -9.628 -7.832 -5.545 1.00 0.00 C ATOM 154 CG MET A 12 -8.911 -9.184 -5.606 1.00 0.00 C ATOM 155 SD MET A 12 -9.334 -10.403 -4.336 1.00 0.00 S ATOM 156 CE MET A 12 -8.576 -9.546 -2.933 1.00 0.00 C ATOM 0 H MET A 12 -10.562 -5.476 -6.283 1.00 0.00 H new ATOM 0 HA MET A 12 -7.885 -6.842 -6.358 1.00 0.00 H new ATOM 0 HB2 MET A 12 -9.582 -7.427 -4.534 1.00 0.00 H new ATOM 0 HB3 MET A 12 -10.683 -7.953 -5.792 1.00 0.00 H new ATOM 0 HG2 MET A 12 -9.111 -9.629 -6.581 1.00 0.00 H new ATOM 0 HG3 MET A 12 -7.838 -9.000 -5.554 1.00 0.00 H new ATOM 0 HE1 MET A 12 -7.715 -10.114 -2.582 1.00 0.00 H new ATOM 0 HE2 MET A 12 -8.253 -8.553 -3.245 1.00 0.00 H new ATOM 0 HE3 MET A 12 -9.304 -9.454 -2.127 1.00 0.00 H new ATOM 166 N GLY A 13 -8.187 -7.862 -8.578 1.00 0.00 N ATOM 167 CA GLY A 13 -8.310 -8.289 -10.001 1.00 0.00 C ATOM 168 C GLY A 13 -8.773 -9.745 -10.120 1.00 0.00 C ATOM 169 O GLY A 13 -8.451 -10.583 -9.301 1.00 0.00 O ATOM 0 H GLY A 13 -7.270 -8.011 -8.156 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -9.018 -7.639 -10.516 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -7.348 -8.171 -10.500 1.00 0.00 H new ATOM 173 N GLU A 14 -9.461 -10.019 -11.197 1.00 0.00 N ATOM 174 CA GLU A 14 -10.019 -11.387 -11.409 1.00 0.00 C ATOM 175 C GLU A 14 -8.923 -12.452 -11.542 1.00 0.00 C ATOM 176 O GLU A 14 -9.193 -13.578 -11.908 1.00 0.00 O ATOM 177 CB GLU A 14 -10.857 -11.366 -12.694 1.00 0.00 C ATOM 178 CG GLU A 14 -9.965 -10.954 -13.874 1.00 0.00 C ATOM 179 CD GLU A 14 -10.798 -10.973 -15.159 1.00 0.00 C ATOM 180 OE1 GLU A 14 -11.635 -10.093 -15.273 1.00 0.00 O ATOM 181 OE2 GLU A 14 -10.549 -11.867 -15.951 1.00 0.00 O ATOM 0 H GLU A 14 -9.661 -9.351 -11.942 1.00 0.00 H new ATOM 0 HA GLU A 14 -10.622 -11.649 -10.539 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -11.289 -12.350 -12.876 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -11.687 -10.667 -12.589 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -9.555 -9.958 -13.706 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -9.120 -11.636 -13.963 1.00 0.00 H new ATOM 188 N ASP A 15 -7.711 -12.075 -11.236 1.00 0.00 N ATOM 189 CA ASP A 15 -6.599 -13.065 -11.261 1.00 0.00 C ATOM 190 C ASP A 15 -6.618 -13.906 -9.982 1.00 0.00 C ATOM 191 O ASP A 15 -6.074 -14.993 -9.948 1.00 0.00 O ATOM 192 CB ASP A 15 -5.276 -12.298 -11.336 1.00 0.00 C ATOM 193 CG ASP A 15 -5.342 -11.304 -12.500 1.00 0.00 C ATOM 194 OD1 ASP A 15 -5.202 -11.772 -13.618 1.00 0.00 O ATOM 195 OD2 ASP A 15 -5.541 -10.137 -12.205 1.00 0.00 O ATOM 0 H ASP A 15 -7.444 -11.127 -10.971 1.00 0.00 H new ATOM 0 HA ASP A 15 -6.711 -13.725 -12.121 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -5.093 -11.770 -10.400 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -4.447 -12.991 -11.479 1.00 0.00 H new ATOM 200 N GLY A 16 -7.234 -13.378 -8.957 1.00 0.00 N ATOM 201 CA GLY A 16 -7.363 -14.162 -7.694 1.00 0.00 C ATOM 202 C GLY A 16 -6.417 -13.632 -6.615 1.00 0.00 C ATOM 203 O GLY A 16 -6.781 -13.556 -5.460 1.00 0.00 O ATOM 0 H GLY A 16 -7.650 -12.447 -8.939 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -8.391 -14.113 -7.336 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -7.144 -15.211 -7.890 1.00 0.00 H new ATOM 207 N ASN A 17 -5.211 -13.340 -7.019 1.00 0.00 N ATOM 208 CA ASN A 17 -4.221 -12.752 -6.070 1.00 0.00 C ATOM 209 C ASN A 17 -3.525 -11.553 -6.717 1.00 0.00 C ATOM 210 O ASN A 17 -2.327 -11.386 -6.590 1.00 0.00 O ATOM 211 CB ASN A 17 -3.179 -13.822 -5.714 1.00 0.00 C ATOM 212 CG ASN A 17 -2.566 -14.400 -6.993 1.00 0.00 C ATOM 213 OD1 ASN A 17 -2.295 -13.696 -7.946 1.00 0.00 O ATOM 214 ND2 ASN A 17 -2.315 -15.680 -7.050 1.00 0.00 N ATOM 0 H ASN A 17 -4.867 -13.484 -7.968 1.00 0.00 H new ATOM 0 HA ASN A 17 -4.734 -12.417 -5.168 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -2.398 -13.388 -5.090 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -3.646 -14.617 -5.133 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -1.895 -16.081 -7.889 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -2.539 -16.279 -6.256 1.00 0.00 H new ATOM 221 N SER A 18 -4.296 -10.776 -7.429 1.00 0.00 N ATOM 222 CA SER A 18 -3.759 -9.524 -8.035 1.00 0.00 C ATOM 223 C SER A 18 -4.421 -8.336 -7.337 1.00 0.00 C ATOM 224 O SER A 18 -5.617 -8.151 -7.429 1.00 0.00 O ATOM 225 CB SER A 18 -4.117 -9.510 -9.523 1.00 0.00 C ATOM 226 OG SER A 18 -3.655 -8.247 -9.975 1.00 0.00 O ATOM 0 H SER A 18 -5.282 -10.956 -7.618 1.00 0.00 H new ATOM 0 HA SER A 18 -2.677 -9.468 -7.920 1.00 0.00 H new ATOM 0 HB2 SER A 18 -3.633 -10.327 -10.058 1.00 0.00 H new ATOM 0 HB3 SER A 18 -5.190 -9.621 -9.676 1.00 0.00 H new ATOM 0 HG SER A 18 -3.845 -8.153 -10.932 1.00 0.00 H new ATOM 232 N ILE A 19 -3.620 -7.550 -6.672 1.00 0.00 N ATOM 233 CA ILE A 19 -4.178 -6.492 -5.787 1.00 0.00 C ATOM 234 C ILE A 19 -3.702 -5.110 -6.233 1.00 0.00 C ATOM 235 O ILE A 19 -2.515 -4.886 -6.364 1.00 0.00 O ATOM 236 CB ILE A 19 -3.605 -6.772 -4.392 1.00 0.00 C ATOM 237 CG1 ILE A 19 -4.343 -7.944 -3.742 1.00 0.00 C ATOM 238 CG2 ILE A 19 -3.669 -5.524 -3.501 1.00 0.00 C ATOM 239 CD1 ILE A 19 -5.730 -7.488 -3.274 1.00 0.00 C ATOM 0 H ILE A 19 -2.602 -7.596 -6.704 1.00 0.00 H new ATOM 0 HA ILE A 19 -5.268 -6.503 -5.810 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.555 -7.041 -4.504 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -4.440 -8.764 -4.453 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -3.770 -8.323 -2.896 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -3.255 -5.756 -2.520 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.091 -4.721 -3.958 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -4.706 -5.208 -3.392 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -6.252 -8.326 -2.812 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -5.622 -6.682 -2.548 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -6.303 -7.131 -4.129 1.00 0.00 H new ATOM 251 N LYS A 20 -4.641 -4.220 -6.416 1.00 0.00 N ATOM 252 CA LYS A 20 -4.284 -2.807 -6.724 1.00 0.00 C ATOM 253 C LYS A 20 -4.700 -1.930 -5.542 1.00 0.00 C ATOM 254 O LYS A 20 -5.843 -1.944 -5.128 1.00 0.00 O ATOM 255 CB LYS A 20 -5.056 -2.372 -7.973 1.00 0.00 C ATOM 256 CG LYS A 20 -4.647 -3.266 -9.149 1.00 0.00 C ATOM 257 CD LYS A 20 -5.470 -2.868 -10.378 1.00 0.00 C ATOM 258 CE LYS A 20 -5.118 -3.808 -11.533 1.00 0.00 C ATOM 259 NZ LYS A 20 -5.937 -3.467 -12.731 1.00 0.00 N ATOM 0 H LYS A 20 -5.641 -4.412 -6.365 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.212 -2.711 -6.897 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.129 -2.448 -7.798 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.844 -1.328 -8.202 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.582 -3.155 -9.355 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.817 -4.314 -8.904 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.535 -2.927 -10.154 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.260 -1.835 -10.655 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -4.058 -3.725 -11.771 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -5.299 -4.842 -11.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -5.693 -4.109 -13.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -6.946 -3.568 -12.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -5.743 -2.486 -13.016 1.00 0.00 H new ATOM 273 N VAL A 21 -3.751 -1.189 -5.037 1.00 0.00 N ATOM 274 CA VAL A 21 -3.997 -0.317 -3.856 1.00 0.00 C ATOM 275 C VAL A 21 -3.981 1.135 -4.339 1.00 0.00 C ATOM 276 O VAL A 21 -2.970 1.602 -4.819 1.00 0.00 O ATOM 277 CB VAL A 21 -2.812 -0.506 -2.900 1.00 0.00 C ATOM 278 CG1 VAL A 21 -3.027 0.315 -1.626 1.00 0.00 C ATOM 279 CG2 VAL A 21 -2.640 -1.985 -2.533 1.00 0.00 C ATOM 0 H VAL A 21 -2.799 -1.152 -5.401 1.00 0.00 H new ATOM 0 HA VAL A 21 -4.943 -0.556 -3.371 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.910 -0.162 -3.405 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.180 0.173 -0.955 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.113 1.371 -1.884 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.941 -0.014 -1.131 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.794 -2.096 -1.854 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.546 -2.347 -2.046 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -2.458 -2.565 -3.437 1.00 0.00 H new ATOM 289 N ASN A 22 -5.087 1.811 -4.190 1.00 0.00 N ATOM 290 CA ASN A 22 -5.167 3.218 -4.683 1.00 0.00 C ATOM 291 C ASN A 22 -4.933 4.178 -3.517 1.00 0.00 C ATOM 292 O ASN A 22 -5.596 4.081 -2.504 1.00 0.00 O ATOM 293 CB ASN A 22 -6.575 3.460 -5.237 1.00 0.00 C ATOM 294 CG ASN A 22 -7.046 2.216 -5.995 1.00 0.00 C ATOM 295 OD1 ASN A 22 -8.043 1.528 -5.511 1.00 0.00 O flip ATOM 296 ND2 ASN A 22 -6.510 1.857 -7.024 1.00 0.00 N flip ATOM 0 H ASN A 22 -5.935 1.454 -3.751 1.00 0.00 H new ATOM 0 HA ASN A 22 -4.415 3.383 -5.455 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -7.264 3.685 -4.423 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -6.573 4.324 -5.901 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -5.730 2.392 -7.406 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -6.840 1.021 -7.506 1.00 0.00 H new ATOM 303 N LEU A 23 -4.036 5.109 -3.709 1.00 0.00 N ATOM 304 CA LEU A 23 -3.657 6.018 -2.593 1.00 0.00 C ATOM 305 C LEU A 23 -4.418 7.338 -2.736 1.00 0.00 C ATOM 306 O LEU A 23 -4.077 8.175 -3.548 1.00 0.00 O ATOM 307 CB LEU A 23 -2.147 6.293 -2.683 1.00 0.00 C ATOM 308 CG LEU A 23 -1.386 4.978 -2.922 1.00 0.00 C ATOM 309 CD1 LEU A 23 0.106 5.294 -3.072 1.00 0.00 C ATOM 310 CD2 LEU A 23 -1.575 4.054 -1.713 1.00 0.00 C ATOM 0 H LEU A 23 -3.551 5.277 -4.590 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.902 5.560 -1.635 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.944 6.993 -3.494 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.799 6.762 -1.763 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.764 4.491 -3.821 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.658 4.370 -3.242 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.252 5.965 -3.918 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.470 5.772 -2.162 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.036 3.121 -1.880 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.187 4.541 -0.818 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.636 3.842 -1.580 1.00 0.00 H new ATOM 322 N ILE A 24 -5.441 7.484 -1.938 1.00 0.00 N ATOM 323 CA ILE A 24 -6.271 8.720 -2.008 1.00 0.00 C ATOM 324 C ILE A 24 -5.705 9.755 -1.038 1.00 0.00 C ATOM 325 O ILE A 24 -5.492 9.454 0.120 1.00 0.00 O ATOM 326 CB ILE A 24 -7.697 8.355 -1.567 1.00 0.00 C ATOM 327 CG1 ILE A 24 -8.178 7.099 -2.317 1.00 0.00 C ATOM 328 CG2 ILE A 24 -8.636 9.529 -1.872 1.00 0.00 C ATOM 329 CD1 ILE A 24 -8.071 7.331 -3.827 1.00 0.00 C ATOM 0 H ILE A 24 -5.738 6.801 -1.241 1.00 0.00 H new ATOM 0 HA ILE A 24 -6.270 9.126 -3.020 1.00 0.00 H new ATOM 0 HB ILE A 24 -7.701 8.149 -0.497 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -7.576 6.237 -2.028 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -9.209 6.873 -2.046 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -9.649 9.275 -1.561 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -8.301 10.413 -1.330 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -8.626 9.734 -2.942 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -8.412 6.441 -4.357 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -8.692 8.181 -4.109 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -7.033 7.535 -4.091 1.00 0.00 H new ATOM 341 N LYS A 25 -5.502 10.948 -1.527 1.00 0.00 N ATOM 342 CA LYS A 25 -4.934 12.023 -0.662 1.00 0.00 C ATOM 343 C LYS A 25 -6.064 12.905 -0.125 1.00 0.00 C ATOM 344 O LYS A 25 -7.128 12.971 -0.709 1.00 0.00 O ATOM 345 CB LYS A 25 -3.994 12.876 -1.517 1.00 0.00 C ATOM 346 CG LYS A 25 -2.877 11.982 -2.074 1.00 0.00 C ATOM 347 CD LYS A 25 -2.106 12.757 -3.149 1.00 0.00 C ATOM 348 CE LYS A 25 -1.213 13.799 -2.469 1.00 0.00 C ATOM 349 NZ LYS A 25 -0.922 14.910 -3.417 1.00 0.00 N ATOM 0 H LYS A 25 -5.705 11.225 -2.487 1.00 0.00 H new ATOM 0 HA LYS A 25 -4.396 11.583 0.178 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -4.546 13.342 -2.333 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -3.569 13.682 -0.919 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -2.203 11.678 -1.273 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -3.300 11.071 -2.497 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.501 12.074 -3.744 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -2.801 13.245 -3.832 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.706 14.188 -1.578 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -0.283 13.335 -2.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 0.011 15.316 -3.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -0.923 14.545 -4.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -1.651 15.646 -3.323 1.00 0.00 H new ATOM 363 N GLN A 26 -5.811 13.561 0.976 1.00 0.00 N ATOM 364 CA GLN A 26 -6.885 14.391 1.593 1.00 0.00 C ATOM 365 C GLN A 26 -6.336 15.667 2.241 1.00 0.00 C ATOM 366 O GLN A 26 -6.830 16.748 1.984 1.00 0.00 O ATOM 367 CB GLN A 26 -7.642 13.544 2.634 1.00 0.00 C ATOM 368 CG GLN A 26 -6.672 12.680 3.450 1.00 0.00 C ATOM 369 CD GLN A 26 -6.214 11.488 2.603 1.00 0.00 C ATOM 370 OE1 GLN A 26 -5.038 11.189 2.528 1.00 0.00 O ATOM 371 NE2 GLN A 26 -7.099 10.791 1.944 1.00 0.00 N ATOM 0 H GLN A 26 -4.918 13.559 1.470 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.564 14.708 0.801 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -8.202 14.198 3.302 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -8.368 12.906 2.130 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -5.811 13.273 3.758 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -7.159 12.328 4.360 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -8.087 11.036 2.002 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -6.802 10.001 1.371 1.00 0.00 H new ATOM 380 N ASP A 27 -5.334 15.525 3.068 1.00 0.00 N ATOM 381 CA ASP A 27 -4.793 16.721 3.779 1.00 0.00 C ATOM 382 C ASP A 27 -3.268 16.658 3.887 1.00 0.00 C ATOM 383 O ASP A 27 -2.732 15.859 4.630 1.00 0.00 O ATOM 384 CB ASP A 27 -5.388 16.756 5.191 1.00 0.00 C ATOM 385 CG ASP A 27 -6.913 16.843 5.097 1.00 0.00 C ATOM 386 OD1 ASP A 27 -7.386 17.965 5.017 1.00 0.00 O ATOM 387 OD2 ASP A 27 -7.516 15.783 5.099 1.00 0.00 O ATOM 0 H ASP A 27 -4.870 14.642 3.281 1.00 0.00 H new ATOM 0 HA ASP A 27 -5.061 17.615 3.216 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.097 15.862 5.743 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -4.997 17.612 5.741 1.00 0.00 H new ATOM 392 N ASP A 28 -2.609 17.509 3.143 1.00 0.00 N ATOM 393 CA ASP A 28 -1.121 17.553 3.195 1.00 0.00 C ATOM 394 C ASP A 28 -0.629 18.992 3.369 1.00 0.00 C ATOM 395 O ASP A 28 0.405 19.230 3.963 1.00 0.00 O ATOM 396 CB ASP A 28 -0.582 16.996 1.871 1.00 0.00 C ATOM 397 CG ASP A 28 -1.441 15.809 1.418 1.00 0.00 C ATOM 398 OD1 ASP A 28 -1.413 14.813 2.122 1.00 0.00 O ATOM 399 OD2 ASP A 28 -2.082 15.971 0.392 1.00 0.00 O ATOM 0 H ASP A 28 -3.040 18.175 2.502 1.00 0.00 H new ATOM 0 HA ASP A 28 -0.769 16.962 4.041 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -0.590 17.775 1.108 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.454 16.681 1.994 1.00 0.00 H new ATOM 404 N GLY A 29 -1.377 19.913 2.823 1.00 0.00 N ATOM 405 CA GLY A 29 -0.980 21.349 2.899 1.00 0.00 C ATOM 406 C GLY A 29 -0.591 21.853 1.506 1.00 0.00 C ATOM 407 O GLY A 29 0.461 22.430 1.320 1.00 0.00 O ATOM 0 H GLY A 29 -2.249 19.732 2.326 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.804 21.943 3.294 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.142 21.469 3.586 1.00 0.00 H new ATOM 411 N GLY A 30 -1.463 21.612 0.563 1.00 0.00 N ATOM 412 CA GLY A 30 -1.159 21.988 -0.849 1.00 0.00 C ATOM 413 C GLY A 30 -0.574 20.781 -1.585 1.00 0.00 C ATOM 414 O GLY A 30 0.084 20.921 -2.597 1.00 0.00 O ATOM 0 H GLY A 30 -2.371 21.172 0.709 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -2.066 22.328 -1.349 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -0.453 22.818 -0.871 1.00 0.00 H new ATOM 418 N SER A 31 -0.839 19.621 -1.044 1.00 0.00 N ATOM 419 CA SER A 31 -0.284 18.362 -1.620 1.00 0.00 C ATOM 420 C SER A 31 1.210 18.460 -1.966 1.00 0.00 C ATOM 421 O SER A 31 1.589 18.278 -3.107 1.00 0.00 O ATOM 422 CB SER A 31 -1.080 18.033 -2.890 1.00 0.00 C ATOM 423 OG SER A 31 -2.278 17.456 -2.393 1.00 0.00 O ATOM 0 H SER A 31 -1.423 19.492 -0.218 1.00 0.00 H new ATOM 0 HA SER A 31 -0.376 17.579 -0.867 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.280 18.927 -3.480 1.00 0.00 H new ATOM 0 HB3 SER A 31 -0.539 17.340 -3.534 1.00 0.00 H new ATOM 0 HG SER A 31 -2.079 16.930 -1.590 1.00 0.00 H new ATOM 429 N PRO A 32 2.026 18.747 -0.984 1.00 0.00 N ATOM 430 CA PRO A 32 3.498 18.699 -1.162 1.00 0.00 C ATOM 431 C PRO A 32 4.007 17.289 -0.845 1.00 0.00 C ATOM 432 O PRO A 32 5.027 17.126 -0.203 1.00 0.00 O ATOM 433 CB PRO A 32 4.028 19.691 -0.113 1.00 0.00 C ATOM 434 CG PRO A 32 2.875 19.964 0.887 1.00 0.00 C ATOM 435 CD PRO A 32 1.606 19.295 0.331 1.00 0.00 C ATOM 0 HA PRO A 32 3.815 18.943 -2.176 1.00 0.00 H new ATOM 0 HB2 PRO A 32 4.895 19.278 0.403 1.00 0.00 H new ATOM 0 HB3 PRO A 32 4.352 20.617 -0.589 1.00 0.00 H new ATOM 0 HG2 PRO A 32 3.119 19.563 1.871 1.00 0.00 H new ATOM 0 HG3 PRO A 32 2.720 21.036 1.009 1.00 0.00 H new ATOM 0 HD2 PRO A 32 1.248 18.507 0.994 1.00 0.00 H new ATOM 0 HD3 PRO A 32 0.793 20.013 0.221 1.00 0.00 H new ATOM 443 N ILE A 33 3.283 16.307 -1.314 1.00 0.00 N ATOM 444 CA ILE A 33 3.636 14.898 -0.968 1.00 0.00 C ATOM 445 C ILE A 33 4.745 14.366 -1.875 1.00 0.00 C ATOM 446 O ILE A 33 4.899 14.775 -3.010 1.00 0.00 O ATOM 447 CB ILE A 33 2.383 14.016 -1.125 1.00 0.00 C ATOM 448 CG1 ILE A 33 1.330 14.437 -0.084 1.00 0.00 C ATOM 449 CG2 ILE A 33 2.757 12.534 -0.918 1.00 0.00 C ATOM 450 CD1 ILE A 33 1.775 14.005 1.319 1.00 0.00 C ATOM 0 H ILE A 33 2.468 16.418 -1.917 1.00 0.00 H new ATOM 0 HA ILE A 33 3.996 14.873 0.061 1.00 0.00 H new ATOM 0 HB ILE A 33 1.974 14.142 -2.128 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.190 15.518 -0.113 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.368 13.984 -0.325 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.867 11.915 -1.030 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.500 12.239 -1.659 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.169 12.399 0.082 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.023 14.307 2.048 1.00 0.00 H new ATOM 0 HD12 ILE A 33 1.892 12.922 1.346 1.00 0.00 H new ATOM 0 HD13 ILE A 33 2.726 14.479 1.561 1.00 0.00 H new ATOM 462 N ARG A 34 5.487 13.453 -1.314 1.00 0.00 N ATOM 463 CA ARG A 34 6.610 12.803 -2.041 1.00 0.00 C ATOM 464 C ARG A 34 6.480 11.286 -1.888 1.00 0.00 C ATOM 465 O ARG A 34 6.533 10.768 -0.788 1.00 0.00 O ATOM 466 CB ARG A 34 7.929 13.257 -1.405 1.00 0.00 C ATOM 467 CG ARG A 34 8.000 14.787 -1.418 1.00 0.00 C ATOM 468 CD ARG A 34 9.202 15.226 -0.577 1.00 0.00 C ATOM 469 NE ARG A 34 9.258 16.714 -0.590 1.00 0.00 N ATOM 470 CZ ARG A 34 10.330 17.313 -1.032 1.00 0.00 C ATOM 471 NH1 ARG A 34 11.364 17.418 -0.244 1.00 0.00 N ATOM 472 NH2 ARG A 34 10.331 17.787 -2.248 1.00 0.00 N ATOM 0 H ARG A 34 5.357 13.123 -0.358 1.00 0.00 H new ATOM 0 HA ARG A 34 6.589 13.075 -3.096 1.00 0.00 H new ATOM 0 HB2 ARG A 34 7.998 12.887 -0.382 1.00 0.00 H new ATOM 0 HB3 ARG A 34 8.773 12.838 -1.953 1.00 0.00 H new ATOM 0 HG2 ARG A 34 8.099 15.153 -2.440 1.00 0.00 H new ATOM 0 HG3 ARG A 34 7.081 15.212 -1.015 1.00 0.00 H new ATOM 0 HD2 ARG A 34 9.106 14.858 0.444 1.00 0.00 H new ATOM 0 HD3 ARG A 34 10.123 14.807 -0.982 1.00 0.00 H new ATOM 0 HE ARG A 34 8.465 17.261 -0.256 1.00 0.00 H new ATOM 0 HH11 ARG A 34 11.326 17.035 0.701 1.00 0.00 H new ATOM 0 HH12 ARG A 34 12.210 17.883 -0.572 1.00 0.00 H new ATOM 0 HH21 ARG A 34 9.503 17.686 -2.835 1.00 0.00 H new ATOM 0 HH22 ARG A 34 11.160 18.258 -2.611 1.00 0.00 H new ATOM 486 N HIS A 35 6.249 10.650 -3.007 1.00 0.00 N ATOM 487 CA HIS A 35 6.214 9.159 -3.098 1.00 0.00 C ATOM 488 C HIS A 35 5.590 8.436 -1.899 1.00 0.00 C ATOM 489 O HIS A 35 5.025 9.029 -1.001 1.00 0.00 O ATOM 490 CB HIS A 35 7.651 8.648 -3.275 1.00 0.00 C ATOM 491 CG HIS A 35 8.531 9.171 -2.139 1.00 0.00 C ATOM 492 ND1 HIS A 35 9.411 10.114 -2.258 1.00 0.00 N ATOM 493 CD2 HIS A 35 8.612 8.791 -0.812 1.00 0.00 C ATOM 494 CE1 HIS A 35 9.994 10.306 -1.116 1.00 0.00 C ATOM 495 NE2 HIS A 35 9.526 9.505 -0.193 1.00 0.00 N ATOM 0 H HIS A 35 6.077 11.122 -3.895 1.00 0.00 H new ATOM 0 HA HIS A 35 5.569 8.933 -3.947 1.00 0.00 H new ATOM 0 HB2 HIS A 35 7.661 7.558 -3.282 1.00 0.00 H new ATOM 0 HB3 HIS A 35 8.048 8.977 -4.235 1.00 0.00 H new ATOM 0 HD1 HIS A 35 9.614 10.626 -3.117 1.00 0.00 H new ATOM 0 HD2 HIS A 35 8.012 8.020 -0.351 1.00 0.00 H new ATOM 0 HE1 HIS A 35 10.771 11.037 -0.947 1.00 0.00 H new ATOM 503 N TYR A 36 5.709 7.137 -1.943 1.00 0.00 N ATOM 504 CA TYR A 36 5.181 6.297 -0.835 1.00 0.00 C ATOM 505 C TYR A 36 6.148 5.159 -0.531 1.00 0.00 C ATOM 506 O TYR A 36 6.883 4.717 -1.391 1.00 0.00 O ATOM 507 CB TYR A 36 3.854 5.689 -1.286 1.00 0.00 C ATOM 508 CG TYR A 36 2.871 6.821 -1.570 1.00 0.00 C ATOM 509 CD1 TYR A 36 2.285 7.528 -0.540 1.00 0.00 C ATOM 510 CD2 TYR A 36 2.577 7.154 -2.873 1.00 0.00 C ATOM 511 CE1 TYR A 36 1.412 8.561 -0.812 1.00 0.00 C ATOM 512 CE2 TYR A 36 1.699 8.183 -3.147 1.00 0.00 C ATOM 513 CZ TYR A 36 1.113 8.895 -2.118 1.00 0.00 C ATOM 514 OH TYR A 36 0.239 9.926 -2.393 1.00 0.00 O ATOM 0 H TYR A 36 6.152 6.621 -2.703 1.00 0.00 H new ATOM 0 HA TYR A 36 5.053 6.912 0.056 1.00 0.00 H new ATOM 0 HB2 TYR A 36 4.000 5.082 -2.179 1.00 0.00 H new ATOM 0 HB3 TYR A 36 3.458 5.029 -0.514 1.00 0.00 H new ATOM 0 HD1 TYR A 36 2.511 7.271 0.484 1.00 0.00 H new ATOM 0 HD2 TYR A 36 3.035 6.608 -3.684 1.00 0.00 H new ATOM 0 HE1 TYR A 36 0.960 9.111 0.000 1.00 0.00 H new ATOM 0 HE2 TYR A 36 1.469 8.433 -4.172 1.00 0.00 H new ATOM 0 HH TYR A 36 0.144 10.025 -3.363 1.00 0.00 H new ATOM 524 N LEU A 37 6.081 4.710 0.690 1.00 0.00 N ATOM 525 CA LEU A 37 6.873 3.528 1.130 1.00 0.00 C ATOM 526 C LEU A 37 5.852 2.418 1.372 1.00 0.00 C ATOM 527 O LEU A 37 5.056 2.514 2.284 1.00 0.00 O ATOM 528 CB LEU A 37 7.579 3.862 2.457 1.00 0.00 C ATOM 529 CG LEU A 37 8.060 5.323 2.452 1.00 0.00 C ATOM 530 CD1 LEU A 37 8.517 5.699 3.869 1.00 0.00 C ATOM 531 CD2 LEU A 37 9.252 5.456 1.497 1.00 0.00 C ATOM 0 H LEU A 37 5.497 5.122 1.418 1.00 0.00 H new ATOM 0 HA LEU A 37 7.625 3.240 0.395 1.00 0.00 H new ATOM 0 HB2 LEU A 37 6.896 3.699 3.291 1.00 0.00 H new ATOM 0 HB3 LEU A 37 8.427 3.193 2.604 1.00 0.00 H new ATOM 0 HG LEU A 37 7.251 5.979 2.130 1.00 0.00 H new ATOM 0 HD11 LEU A 37 8.861 6.733 3.878 1.00 0.00 H new ATOM 0 HD12 LEU A 37 7.683 5.588 4.562 1.00 0.00 H new ATOM 0 HD13 LEU A 37 9.332 5.043 4.174 1.00 0.00 H new ATOM 0 HD21 LEU A 37 9.598 6.490 1.489 1.00 0.00 H new ATOM 0 HD22 LEU A 37 10.060 4.805 1.831 1.00 0.00 H new ATOM 0 HD23 LEU A 37 8.946 5.168 0.491 1.00 0.00 H new ATOM 543 N VAL A 38 5.855 1.425 0.525 1.00 0.00 N ATOM 544 CA VAL A 38 4.787 0.389 0.617 1.00 0.00 C ATOM 545 C VAL A 38 5.396 -0.949 1.022 1.00 0.00 C ATOM 546 O VAL A 38 6.264 -1.462 0.345 1.00 0.00 O ATOM 547 CB VAL A 38 4.130 0.239 -0.758 1.00 0.00 C ATOM 548 CG1 VAL A 38 2.981 -0.773 -0.645 1.00 0.00 C ATOM 549 CG2 VAL A 38 3.562 1.597 -1.187 1.00 0.00 C ATOM 0 H VAL A 38 6.541 1.287 -0.217 1.00 0.00 H new ATOM 0 HA VAL A 38 4.050 0.690 1.362 1.00 0.00 H new ATOM 0 HB VAL A 38 4.860 -0.105 -1.490 1.00 0.00 H new ATOM 0 HG11 VAL A 38 2.503 -0.891 -1.617 1.00 0.00 H new ATOM 0 HG12 VAL A 38 3.374 -1.735 -0.315 1.00 0.00 H new ATOM 0 HG13 VAL A 38 2.249 -0.413 0.078 1.00 0.00 H new ATOM 0 HG21 VAL A 38 3.091 1.502 -2.166 1.00 0.00 H new ATOM 0 HG22 VAL A 38 2.821 1.928 -0.459 1.00 0.00 H new ATOM 0 HG23 VAL A 38 4.369 2.328 -1.242 1.00 0.00 H new ATOM 559 N LYS A 39 4.918 -1.458 2.124 1.00 0.00 N ATOM 560 CA LYS A 39 5.386 -2.784 2.615 1.00 0.00 C ATOM 561 C LYS A 39 4.157 -3.616 2.983 1.00 0.00 C ATOM 562 O LYS A 39 3.199 -3.096 3.518 1.00 0.00 O ATOM 563 CB LYS A 39 6.240 -2.549 3.867 1.00 0.00 C ATOM 564 CG LYS A 39 6.678 -3.899 4.450 1.00 0.00 C ATOM 565 CD LYS A 39 7.342 -3.657 5.810 1.00 0.00 C ATOM 566 CE LYS A 39 8.727 -3.041 5.588 1.00 0.00 C ATOM 567 NZ LYS A 39 9.427 -2.884 6.894 1.00 0.00 N ATOM 0 H LYS A 39 4.216 -1.007 2.711 1.00 0.00 H new ATOM 0 HA LYS A 39 5.971 -3.305 1.857 1.00 0.00 H new ATOM 0 HB2 LYS A 39 7.114 -1.949 3.616 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.671 -1.988 4.608 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.818 -4.559 4.562 1.00 0.00 H new ATOM 0 HG3 LYS A 39 7.374 -4.395 3.773 1.00 0.00 H new ATOM 0 HD2 LYS A 39 6.727 -2.992 6.416 1.00 0.00 H new ATOM 0 HD3 LYS A 39 7.431 -4.595 6.358 1.00 0.00 H new ATOM 0 HE2 LYS A 39 9.315 -3.675 4.924 1.00 0.00 H new ATOM 0 HE3 LYS A 39 8.629 -2.072 5.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 10.366 -2.466 6.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 8.870 -2.262 7.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 9.534 -3.815 7.345 1.00 0.00 H new ATOM 581 N TYR A 40 4.181 -4.883 2.673 1.00 0.00 N ATOM 582 CA TYR A 40 2.995 -5.709 3.033 1.00 0.00 C ATOM 583 C TYR A 40 3.377 -7.137 3.425 1.00 0.00 C ATOM 584 O TYR A 40 4.427 -7.641 3.078 1.00 0.00 O ATOM 585 CB TYR A 40 1.992 -5.688 1.867 1.00 0.00 C ATOM 586 CG TYR A 40 2.394 -6.645 0.740 1.00 0.00 C ATOM 587 CD1 TYR A 40 3.656 -6.605 0.182 1.00 0.00 C ATOM 588 CD2 TYR A 40 1.456 -7.512 0.214 1.00 0.00 C ATOM 589 CE1 TYR A 40 3.970 -7.412 -0.891 1.00 0.00 C ATOM 590 CE2 TYR A 40 1.770 -8.318 -0.860 1.00 0.00 C ATOM 591 CZ TYR A 40 3.030 -8.273 -1.421 1.00 0.00 C ATOM 592 OH TYR A 40 3.343 -9.060 -2.510 1.00 0.00 O ATOM 0 H TYR A 40 4.943 -5.370 2.202 1.00 0.00 H new ATOM 0 HA TYR A 40 2.527 -5.275 3.916 1.00 0.00 H new ATOM 0 HB2 TYR A 40 1.003 -5.959 2.236 1.00 0.00 H new ATOM 0 HB3 TYR A 40 1.918 -4.675 1.472 1.00 0.00 H new ATOM 0 HD1 TYR A 40 4.402 -5.938 0.588 1.00 0.00 H new ATOM 0 HD2 TYR A 40 0.468 -7.559 0.648 1.00 0.00 H new ATOM 0 HE1 TYR A 40 4.960 -7.370 -1.321 1.00 0.00 H new ATOM 0 HE2 TYR A 40 1.026 -8.988 -1.264 1.00 0.00 H new ATOM 0 HH TYR A 40 4.300 -9.269 -2.498 1.00 0.00 H new ATOM 602 N ARG A 41 2.498 -7.724 4.189 1.00 0.00 N ATOM 603 CA ARG A 41 2.723 -9.108 4.693 1.00 0.00 C ATOM 604 C ARG A 41 1.494 -9.966 4.400 1.00 0.00 C ATOM 605 O ARG A 41 0.407 -9.447 4.237 1.00 0.00 O ATOM 606 CB ARG A 41 2.927 -9.049 6.213 1.00 0.00 C ATOM 607 CG ARG A 41 1.724 -8.363 6.866 1.00 0.00 C ATOM 608 CD ARG A 41 1.834 -8.516 8.386 1.00 0.00 C ATOM 609 NE ARG A 41 1.085 -9.742 8.783 1.00 0.00 N ATOM 610 CZ ARG A 41 1.673 -10.647 9.519 1.00 0.00 C ATOM 611 NH1 ARG A 41 2.120 -10.304 10.696 1.00 0.00 N ATOM 612 NH2 ARG A 41 1.796 -11.863 9.060 1.00 0.00 N ATOM 0 H ARG A 41 1.622 -7.298 4.489 1.00 0.00 H new ATOM 0 HA ARG A 41 3.597 -9.539 4.204 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.046 -10.056 6.614 1.00 0.00 H new ATOM 0 HB3 ARG A 41 3.841 -8.503 6.447 1.00 0.00 H new ATOM 0 HG2 ARG A 41 1.698 -7.308 6.594 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.796 -8.808 6.508 1.00 0.00 H new ATOM 0 HD2 ARG A 41 2.879 -8.594 8.686 1.00 0.00 H new ATOM 0 HD3 ARG A 41 1.423 -7.640 8.888 1.00 0.00 H new ATOM 0 HE ARG A 41 0.119 -9.874 8.482 1.00 0.00 H new ATOM 0 HH11 ARG A 41 2.007 -9.345 11.025 1.00 0.00 H new ATOM 0 HH12 ARG A 41 2.582 -10.995 11.287 1.00 0.00 H new ATOM 0 HH21 ARG A 41 1.435 -12.098 8.136 1.00 0.00 H new ATOM 0 HH22 ARG A 41 2.253 -12.578 9.626 1.00 0.00 H new ATOM 626 N ALA A 42 1.683 -11.257 4.414 1.00 0.00 N ATOM 627 CA ALA A 42 0.551 -12.177 4.113 1.00 0.00 C ATOM 628 C ALA A 42 0.213 -12.983 5.367 1.00 0.00 C ATOM 629 O ALA A 42 0.722 -12.709 6.435 1.00 0.00 O ATOM 630 CB ALA A 42 1.008 -13.135 3.009 1.00 0.00 C ATOM 0 H ALA A 42 2.571 -11.714 4.621 1.00 0.00 H new ATOM 0 HA ALA A 42 -0.328 -11.615 3.796 1.00 0.00 H new ATOM 0 HB1 ALA A 42 0.198 -13.823 2.766 1.00 0.00 H new ATOM 0 HB2 ALA A 42 1.278 -12.564 2.121 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.874 -13.701 3.354 1.00 0.00 H new ATOM 636 N LEU A 43 -0.666 -13.934 5.211 1.00 0.00 N ATOM 637 CA LEU A 43 -0.952 -14.855 6.346 1.00 0.00 C ATOM 638 C LEU A 43 -0.031 -16.073 6.258 1.00 0.00 C ATOM 639 O LEU A 43 -0.437 -17.197 6.478 1.00 0.00 O ATOM 640 CB LEU A 43 -2.418 -15.293 6.248 1.00 0.00 C ATOM 641 CG LEU A 43 -2.899 -15.755 7.630 1.00 0.00 C ATOM 642 CD1 LEU A 43 -3.070 -14.532 8.538 1.00 0.00 C ATOM 643 CD2 LEU A 43 -4.255 -16.448 7.469 1.00 0.00 C ATOM 0 H LEU A 43 -1.193 -14.112 4.356 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.777 -14.355 7.299 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.034 -14.467 5.893 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.521 -16.102 5.525 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.174 -16.441 8.068 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.412 -14.854 9.522 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.115 -14.016 8.637 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.805 -13.855 8.102 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.611 -16.783 8.444 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.973 -15.748 7.041 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.148 -17.307 6.807 1.00 0.00 H new ATOM 655 N ALA A 44 1.205 -15.802 5.932 1.00 0.00 N ATOM 656 CA ALA A 44 2.215 -16.893 5.832 1.00 0.00 C ATOM 657 C ALA A 44 3.609 -16.328 6.122 1.00 0.00 C ATOM 658 O ALA A 44 4.285 -16.765 7.031 1.00 0.00 O ATOM 659 CB ALA A 44 2.180 -17.459 4.410 1.00 0.00 C ATOM 0 H ALA A 44 1.559 -14.867 5.730 1.00 0.00 H new ATOM 0 HA ALA A 44 1.990 -17.678 6.554 1.00 0.00 H new ATOM 0 HB1 ALA A 44 2.914 -18.260 4.319 1.00 0.00 H new ATOM 0 HB2 ALA A 44 1.186 -17.853 4.199 1.00 0.00 H new ATOM 0 HB3 ALA A 44 2.415 -16.668 3.698 1.00 0.00 H new ATOM 665 N SER A 45 3.997 -15.365 5.330 1.00 0.00 N ATOM 666 CA SER A 45 5.313 -14.693 5.548 1.00 0.00 C ATOM 667 C SER A 45 5.086 -13.202 5.800 1.00 0.00 C ATOM 668 O SER A 45 4.135 -12.627 5.308 1.00 0.00 O ATOM 669 CB SER A 45 6.160 -14.867 4.284 1.00 0.00 C ATOM 670 OG SER A 45 6.303 -16.275 4.167 1.00 0.00 O ATOM 0 H SER A 45 3.458 -15.013 4.539 1.00 0.00 H new ATOM 0 HA SER A 45 5.821 -15.131 6.407 1.00 0.00 H new ATOM 0 HB2 SER A 45 5.668 -14.440 3.410 1.00 0.00 H new ATOM 0 HB3 SER A 45 7.127 -14.373 4.378 1.00 0.00 H new ATOM 0 HG SER A 45 6.838 -16.485 3.373 1.00 0.00 H new ATOM 676 N GLU A 46 5.972 -12.598 6.547 1.00 0.00 N ATOM 677 CA GLU A 46 5.766 -11.163 6.894 1.00 0.00 C ATOM 678 C GLU A 46 6.723 -10.249 6.126 1.00 0.00 C ATOM 679 O GLU A 46 7.801 -10.651 5.736 1.00 0.00 O ATOM 680 CB GLU A 46 5.978 -10.984 8.402 1.00 0.00 C ATOM 681 CG GLU A 46 7.459 -11.182 8.744 1.00 0.00 C ATOM 682 CD GLU A 46 7.637 -11.068 10.260 1.00 0.00 C ATOM 683 OE1 GLU A 46 7.248 -12.016 10.924 1.00 0.00 O ATOM 684 OE2 GLU A 46 8.146 -10.037 10.669 1.00 0.00 O ATOM 0 H GLU A 46 6.816 -13.028 6.926 1.00 0.00 H new ATOM 0 HA GLU A 46 4.750 -10.883 6.614 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.654 -9.989 8.709 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.369 -11.701 8.952 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.799 -12.158 8.397 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.067 -10.433 8.236 1.00 0.00 H new ATOM 691 N TRP A 47 6.280 -9.034 5.951 1.00 0.00 N ATOM 692 CA TRP A 47 7.094 -7.997 5.253 1.00 0.00 C ATOM 693 C TRP A 47 7.869 -8.561 4.058 1.00 0.00 C ATOM 694 O TRP A 47 9.029 -8.911 4.154 1.00 0.00 O ATOM 695 CB TRP A 47 8.055 -7.369 6.271 1.00 0.00 C ATOM 696 CG TRP A 47 7.337 -7.179 7.616 1.00 0.00 C ATOM 697 CD1 TRP A 47 7.878 -7.505 8.825 1.00 0.00 C ATOM 698 CD2 TRP A 47 6.081 -6.692 7.811 1.00 0.00 C ATOM 699 NE1 TRP A 47 6.921 -7.197 9.672 1.00 0.00 N ATOM 700 CE2 TRP A 47 5.806 -6.704 9.166 1.00 0.00 C ATOM 701 CE3 TRP A 47 5.116 -6.229 6.931 1.00 0.00 C ATOM 702 CZ2 TRP A 47 4.584 -6.263 9.640 1.00 0.00 C ATOM 703 CZ3 TRP A 47 3.891 -5.792 7.401 1.00 0.00 C ATOM 704 CH2 TRP A 47 3.627 -5.806 8.756 1.00 0.00 C ATOM 0 H TRP A 47 5.367 -8.709 6.270 1.00 0.00 H new ATOM 0 HA TRP A 47 6.418 -7.244 4.848 1.00 0.00 H new ATOM 0 HB2 TRP A 47 8.929 -8.007 6.402 1.00 0.00 H new ATOM 0 HB3 TRP A 47 8.414 -6.409 5.901 1.00 0.00 H new ATOM 0 HD1 TRP A 47 8.854 -7.916 9.035 1.00 0.00 H new ATOM 0 HE1 TRP A 47 7.035 -7.333 10.676 1.00 0.00 H new ATOM 0 HE3 TRP A 47 5.322 -6.209 5.871 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 4.379 -6.276 10.700 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 3.141 -5.440 6.708 1.00 0.00 H new ATOM 0 HH2 TRP A 47 2.673 -5.460 9.124 1.00 0.00 H new ATOM 715 N LYS A 48 7.183 -8.615 2.948 1.00 0.00 N ATOM 716 CA LYS A 48 7.827 -9.059 1.681 1.00 0.00 C ATOM 717 C LYS A 48 8.672 -7.900 1.140 1.00 0.00 C ATOM 718 O LYS A 48 8.493 -6.774 1.559 1.00 0.00 O ATOM 719 CB LYS A 48 6.700 -9.385 0.691 1.00 0.00 C ATOM 720 CG LYS A 48 6.036 -10.698 1.119 1.00 0.00 C ATOM 721 CD LYS A 48 4.788 -10.926 0.258 1.00 0.00 C ATOM 722 CE LYS A 48 4.134 -12.248 0.674 1.00 0.00 C ATOM 723 NZ LYS A 48 5.029 -13.390 0.333 1.00 0.00 N ATOM 0 H LYS A 48 6.197 -8.368 2.866 1.00 0.00 H new ATOM 0 HA LYS A 48 8.464 -9.930 1.833 1.00 0.00 H new ATOM 0 HB2 LYS A 48 5.967 -8.579 0.674 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.099 -9.475 -0.319 1.00 0.00 H new ATOM 0 HG2 LYS A 48 6.732 -11.528 1.001 1.00 0.00 H new ATOM 0 HG3 LYS A 48 5.764 -10.657 2.174 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.086 -10.102 0.385 1.00 0.00 H new ATOM 0 HD3 LYS A 48 5.058 -10.955 -0.798 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.931 -12.242 1.745 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.175 -12.364 0.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.476 -14.270 0.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.458 -13.228 -0.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 5.779 -13.470 1.050 1.00 0.00 H new ATOM 737 N PRO A 49 9.575 -8.197 0.242 1.00 0.00 N ATOM 738 CA PRO A 49 10.439 -7.160 -0.376 1.00 0.00 C ATOM 739 C PRO A 49 9.621 -5.918 -0.743 1.00 0.00 C ATOM 740 O PRO A 49 8.943 -5.881 -1.751 1.00 0.00 O ATOM 741 CB PRO A 49 11.021 -7.843 -1.622 1.00 0.00 C ATOM 742 CG PRO A 49 10.775 -9.367 -1.461 1.00 0.00 C ATOM 743 CD PRO A 49 9.802 -9.567 -0.286 1.00 0.00 C ATOM 0 HA PRO A 49 11.220 -6.807 0.297 1.00 0.00 H new ATOM 0 HB2 PRO A 49 10.542 -7.468 -2.526 1.00 0.00 H new ATOM 0 HB3 PRO A 49 12.086 -7.632 -1.715 1.00 0.00 H new ATOM 0 HG2 PRO A 49 10.358 -9.785 -2.377 1.00 0.00 H new ATOM 0 HG3 PRO A 49 11.714 -9.887 -1.272 1.00 0.00 H new ATOM 0 HD2 PRO A 49 8.870 -10.026 -0.616 1.00 0.00 H new ATOM 0 HD3 PRO A 49 10.227 -10.221 0.475 1.00 0.00 H new ATOM 751 N GLU A 50 9.707 -4.930 0.106 1.00 0.00 N ATOM 752 CA GLU A 50 8.852 -3.719 -0.064 1.00 0.00 C ATOM 753 C GLU A 50 9.342 -2.852 -1.227 1.00 0.00 C ATOM 754 O GLU A 50 10.355 -3.135 -1.837 1.00 0.00 O ATOM 755 CB GLU A 50 8.904 -2.916 1.243 1.00 0.00 C ATOM 756 CG GLU A 50 10.277 -2.253 1.386 1.00 0.00 C ATOM 757 CD GLU A 50 10.340 -1.537 2.739 1.00 0.00 C ATOM 758 OE1 GLU A 50 9.620 -0.561 2.869 1.00 0.00 O ATOM 759 OE2 GLU A 50 11.102 -2.011 3.566 1.00 0.00 O ATOM 0 H GLU A 50 10.333 -4.909 0.911 1.00 0.00 H new ATOM 0 HA GLU A 50 7.831 -4.025 -0.291 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.121 -2.158 1.247 1.00 0.00 H new ATOM 0 HB3 GLU A 50 8.716 -3.573 2.092 1.00 0.00 H new ATOM 0 HG2 GLU A 50 11.067 -3.001 1.318 1.00 0.00 H new ATOM 0 HG3 GLU A 50 10.440 -1.543 0.575 1.00 0.00 H new ATOM 766 N ILE A 51 8.598 -1.814 -1.503 1.00 0.00 N ATOM 767 CA ILE A 51 8.968 -0.925 -2.644 1.00 0.00 C ATOM 768 C ILE A 51 8.745 0.551 -2.295 1.00 0.00 C ATOM 769 O ILE A 51 7.926 0.883 -1.461 1.00 0.00 O ATOM 770 CB ILE A 51 8.089 -1.304 -3.849 1.00 0.00 C ATOM 771 CG1 ILE A 51 8.519 -0.472 -5.067 1.00 0.00 C ATOM 772 CG2 ILE A 51 6.620 -0.995 -3.528 1.00 0.00 C ATOM 773 CD1 ILE A 51 7.936 -1.104 -6.336 1.00 0.00 C ATOM 0 H ILE A 51 7.757 -1.544 -0.993 1.00 0.00 H new ATOM 0 HA ILE A 51 10.025 -1.058 -2.873 1.00 0.00 H new ATOM 0 HB ILE A 51 8.203 -2.367 -4.063 1.00 0.00 H new ATOM 0 HG12 ILE A 51 8.169 0.555 -4.963 1.00 0.00 H new ATOM 0 HG13 ILE A 51 9.606 -0.433 -5.131 1.00 0.00 H new ATOM 0 HG21 ILE A 51 5.997 -1.263 -4.381 1.00 0.00 H new ATOM 0 HG22 ILE A 51 6.309 -1.571 -2.656 1.00 0.00 H new ATOM 0 HG23 ILE A 51 6.509 0.069 -3.318 1.00 0.00 H new ATOM 0 HD11 ILE A 51 8.237 -0.519 -7.205 1.00 0.00 H new ATOM 0 HD12 ILE A 51 8.308 -2.124 -6.439 1.00 0.00 H new ATOM 0 HD13 ILE A 51 6.848 -1.120 -6.268 1.00 0.00 H new ATOM 785 N ARG A 52 9.491 1.399 -2.950 1.00 0.00 N ATOM 786 CA ARG A 52 9.247 2.863 -2.813 1.00 0.00 C ATOM 787 C ARG A 52 8.755 3.411 -4.152 1.00 0.00 C ATOM 788 O ARG A 52 9.283 3.090 -5.197 1.00 0.00 O ATOM 789 CB ARG A 52 10.555 3.559 -2.421 1.00 0.00 C ATOM 790 CG ARG A 52 10.292 5.063 -2.272 1.00 0.00 C ATOM 791 CD ARG A 52 11.557 5.743 -1.740 1.00 0.00 C ATOM 792 NE ARG A 52 12.606 5.669 -2.797 1.00 0.00 N ATOM 793 CZ ARG A 52 13.741 5.075 -2.537 1.00 0.00 C ATOM 794 NH1 ARG A 52 14.636 5.711 -1.832 1.00 0.00 N ATOM 795 NH2 ARG A 52 13.940 3.869 -2.992 1.00 0.00 N ATOM 0 H ARG A 52 10.257 1.142 -3.573 1.00 0.00 H new ATOM 0 HA ARG A 52 8.497 3.046 -2.044 1.00 0.00 H new ATOM 0 HB2 ARG A 52 10.935 3.148 -1.486 1.00 0.00 H new ATOM 0 HB3 ARG A 52 11.318 3.383 -3.180 1.00 0.00 H new ATOM 0 HG2 ARG A 52 10.010 5.492 -3.233 1.00 0.00 H new ATOM 0 HG3 ARG A 52 9.459 5.233 -1.590 1.00 0.00 H new ATOM 0 HD2 ARG A 52 11.350 6.782 -1.482 1.00 0.00 H new ATOM 0 HD3 ARG A 52 11.899 5.250 -0.830 1.00 0.00 H new ATOM 0 HE ARG A 52 12.439 6.079 -3.716 1.00 0.00 H new ATOM 0 HH11 ARG A 52 14.444 6.654 -1.495 1.00 0.00 H new ATOM 0 HH12 ARG A 52 15.528 5.265 -1.618 1.00 0.00 H new ATOM 0 HH21 ARG A 52 13.216 3.405 -3.541 1.00 0.00 H new ATOM 0 HH22 ARG A 52 14.820 3.390 -2.799 1.00 0.00 H new ATOM 809 N LEU A 53 7.746 4.235 -4.074 1.00 0.00 N ATOM 810 CA LEU A 53 7.153 4.804 -5.318 1.00 0.00 C ATOM 811 C LEU A 53 7.945 6.043 -5.752 1.00 0.00 C ATOM 812 O LEU A 53 8.710 6.590 -4.984 1.00 0.00 O ATOM 813 CB LEU A 53 5.701 5.225 -5.015 1.00 0.00 C ATOM 814 CG LEU A 53 4.824 4.020 -4.618 1.00 0.00 C ATOM 815 CD1 LEU A 53 3.434 4.203 -5.230 1.00 0.00 C ATOM 816 CD2 LEU A 53 5.411 2.694 -5.129 1.00 0.00 C ATOM 0 H LEU A 53 7.307 4.538 -3.205 1.00 0.00 H new ATOM 0 HA LEU A 53 7.182 4.060 -6.114 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.696 5.959 -4.209 1.00 0.00 H new ATOM 0 HB3 LEU A 53 5.274 5.712 -5.892 1.00 0.00 H new ATOM 0 HG LEU A 53 4.778 3.978 -3.530 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.802 3.358 -4.957 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.989 5.124 -4.854 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.519 4.258 -6.315 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.764 1.870 -4.829 1.00 0.00 H new ATOM 0 HD22 LEU A 53 5.481 2.722 -6.216 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.404 2.548 -4.705 1.00 0.00 H new ATOM 828 N PRO A 54 7.768 6.432 -6.988 1.00 0.00 N ATOM 829 CA PRO A 54 8.352 7.697 -7.499 1.00 0.00 C ATOM 830 C PRO A 54 7.649 8.891 -6.849 1.00 0.00 C ATOM 831 O PRO A 54 6.463 8.832 -6.593 1.00 0.00 O ATOM 832 CB PRO A 54 8.059 7.677 -9.009 1.00 0.00 C ATOM 833 CG PRO A 54 7.146 6.454 -9.296 1.00 0.00 C ATOM 834 CD PRO A 54 7.046 5.626 -8.005 1.00 0.00 C ATOM 0 HA PRO A 54 9.417 7.784 -7.282 1.00 0.00 H new ATOM 0 HB2 PRO A 54 7.569 8.601 -9.316 1.00 0.00 H new ATOM 0 HB3 PRO A 54 8.986 7.604 -9.578 1.00 0.00 H new ATOM 0 HG2 PRO A 54 6.157 6.783 -9.616 1.00 0.00 H new ATOM 0 HG3 PRO A 54 7.559 5.851 -10.105 1.00 0.00 H new ATOM 0 HD2 PRO A 54 6.007 5.463 -7.718 1.00 0.00 H new ATOM 0 HD3 PRO A 54 7.501 4.643 -8.128 1.00 0.00 H new ATOM 842 N SER A 55 8.394 9.939 -6.617 1.00 0.00 N ATOM 843 CA SER A 55 7.813 11.128 -5.925 1.00 0.00 C ATOM 844 C SER A 55 6.636 11.713 -6.709 1.00 0.00 C ATOM 845 O SER A 55 6.818 12.390 -7.702 1.00 0.00 O ATOM 846 CB SER A 55 8.912 12.185 -5.777 1.00 0.00 C ATOM 847 OG SER A 55 9.811 11.606 -4.840 1.00 0.00 O ATOM 0 H SER A 55 9.377 10.024 -6.876 1.00 0.00 H new ATOM 0 HA SER A 55 7.438 10.821 -4.948 1.00 0.00 H new ATOM 0 HB2 SER A 55 9.402 12.389 -6.729 1.00 0.00 H new ATOM 0 HB3 SER A 55 8.511 13.132 -5.415 1.00 0.00 H new ATOM 0 HG SER A 55 10.559 12.220 -4.682 1.00 0.00 H new ATOM 853 N GLY A 56 5.451 11.421 -6.242 1.00 0.00 N ATOM 854 CA GLY A 56 4.226 11.937 -6.918 1.00 0.00 C ATOM 855 C GLY A 56 3.461 10.788 -7.577 1.00 0.00 C ATOM 856 O GLY A 56 3.142 10.840 -8.748 1.00 0.00 O ATOM 0 H GLY A 56 5.279 10.845 -5.418 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.587 12.440 -6.193 1.00 0.00 H new ATOM 0 HA3 GLY A 56 4.501 12.678 -7.669 1.00 0.00 H new ATOM 860 N SER A 57 3.183 9.775 -6.800 1.00 0.00 N ATOM 861 CA SER A 57 2.482 8.582 -7.356 1.00 0.00 C ATOM 862 C SER A 57 0.975 8.640 -7.090 1.00 0.00 C ATOM 863 O SER A 57 0.478 9.580 -6.502 1.00 0.00 O ATOM 864 CB SER A 57 3.062 7.338 -6.683 1.00 0.00 C ATOM 865 OG SER A 57 4.289 7.143 -7.369 1.00 0.00 O ATOM 0 H SER A 57 3.410 9.722 -5.807 1.00 0.00 H new ATOM 0 HA SER A 57 2.629 8.556 -8.436 1.00 0.00 H new ATOM 0 HB2 SER A 57 3.217 7.493 -5.615 1.00 0.00 H new ATOM 0 HB3 SER A 57 2.401 6.478 -6.787 1.00 0.00 H new ATOM 0 HG SER A 57 4.959 7.771 -7.027 1.00 0.00 H new ATOM 871 N ASP A 58 0.294 7.621 -7.540 1.00 0.00 N ATOM 872 CA ASP A 58 -1.185 7.564 -7.347 1.00 0.00 C ATOM 873 C ASP A 58 -1.600 6.204 -6.780 1.00 0.00 C ATOM 874 O ASP A 58 -2.533 6.106 -6.010 1.00 0.00 O ATOM 875 CB ASP A 58 -1.853 7.768 -8.710 1.00 0.00 C ATOM 876 CG ASP A 58 -1.398 9.111 -9.288 1.00 0.00 C ATOM 877 OD1 ASP A 58 -1.838 10.111 -8.746 1.00 0.00 O ATOM 878 OD2 ASP A 58 -0.626 9.058 -10.232 1.00 0.00 O ATOM 0 H ASP A 58 0.698 6.825 -8.033 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.492 8.340 -6.645 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.585 6.956 -9.386 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.938 7.751 -8.605 1.00 0.00 H new ATOM 883 N HIS A 59 -0.908 5.172 -7.181 1.00 0.00 N ATOM 884 CA HIS A 59 -1.277 3.821 -6.667 1.00 0.00 C ATOM 885 C HIS A 59 -0.062 2.895 -6.548 1.00 0.00 C ATOM 886 O HIS A 59 1.007 3.183 -7.048 1.00 0.00 O ATOM 887 CB HIS A 59 -2.297 3.202 -7.629 1.00 0.00 C ATOM 888 CG HIS A 59 -1.584 2.778 -8.915 1.00 0.00 C ATOM 889 ND1 HIS A 59 -1.480 3.494 -9.988 1.00 0.00 N ATOM 890 CD2 HIS A 59 -0.901 1.613 -9.212 1.00 0.00 C ATOM 891 CE1 HIS A 59 -0.798 2.841 -10.878 1.00 0.00 C ATOM 892 NE2 HIS A 59 -0.421 1.668 -10.436 1.00 0.00 N ATOM 0 H HIS A 59 -0.120 5.202 -7.828 1.00 0.00 H new ATOM 0 HA HIS A 59 -1.696 3.936 -5.667 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -2.777 2.341 -7.164 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -3.084 3.921 -7.856 1.00 0.00 H new ATOM 0 HD1 HIS A 59 -1.873 4.427 -10.114 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -0.779 0.779 -8.537 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -0.569 3.219 -11.863 1.00 0.00 H new ATOM 900 N VAL A 60 -0.285 1.800 -5.873 1.00 0.00 N ATOM 901 CA VAL A 60 0.759 0.739 -5.767 1.00 0.00 C ATOM 902 C VAL A 60 0.109 -0.621 -6.044 1.00 0.00 C ATOM 903 O VAL A 60 -1.079 -0.784 -5.850 1.00 0.00 O ATOM 904 CB VAL A 60 1.375 0.779 -4.356 1.00 0.00 C ATOM 905 CG1 VAL A 60 0.313 0.468 -3.284 1.00 0.00 C ATOM 906 CG2 VAL A 60 2.491 -0.271 -4.278 1.00 0.00 C ATOM 0 H VAL A 60 -1.156 1.593 -5.385 1.00 0.00 H new ATOM 0 HA VAL A 60 1.553 0.904 -6.496 1.00 0.00 H new ATOM 0 HB VAL A 60 1.771 1.777 -4.170 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.772 0.502 -2.296 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.486 1.207 -3.338 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.100 -0.526 -3.458 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.937 -0.255 -3.284 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.075 -1.259 -4.473 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.255 -0.046 -5.022 1.00 0.00 H new ATOM 916 N MET A 61 0.879 -1.569 -6.506 1.00 0.00 N ATOM 917 CA MET A 61 0.265 -2.886 -6.843 1.00 0.00 C ATOM 918 C MET A 61 1.134 -4.068 -6.403 1.00 0.00 C ATOM 919 O MET A 61 2.341 -3.970 -6.313 1.00 0.00 O ATOM 920 CB MET A 61 0.050 -2.950 -8.362 1.00 0.00 C ATOM 921 CG MET A 61 1.407 -3.010 -9.074 1.00 0.00 C ATOM 922 SD MET A 61 1.440 -2.573 -10.830 1.00 0.00 S ATOM 923 CE MET A 61 1.687 -0.792 -10.623 1.00 0.00 C ATOM 0 H MET A 61 1.884 -1.493 -6.662 1.00 0.00 H new ATOM 0 HA MET A 61 -0.681 -2.964 -6.306 1.00 0.00 H new ATOM 0 HB2 MET A 61 -0.545 -3.827 -8.618 1.00 0.00 H new ATOM 0 HB3 MET A 61 -0.509 -2.076 -8.697 1.00 0.00 H new ATOM 0 HG2 MET A 61 2.094 -2.347 -8.548 1.00 0.00 H new ATOM 0 HG3 MET A 61 1.798 -4.022 -8.970 1.00 0.00 H new ATOM 0 HE1 MET A 61 1.323 -0.269 -11.507 1.00 0.00 H new ATOM 0 HE2 MET A 61 1.138 -0.448 -9.746 1.00 0.00 H new ATOM 0 HE3 MET A 61 2.749 -0.585 -10.490 1.00 0.00 H new ATOM 933 N LEU A 62 0.465 -5.156 -6.129 1.00 0.00 N ATOM 934 CA LEU A 62 1.181 -6.433 -5.836 1.00 0.00 C ATOM 935 C LEU A 62 0.464 -7.577 -6.561 1.00 0.00 C ATOM 936 O LEU A 62 -0.746 -7.582 -6.659 1.00 0.00 O ATOM 937 CB LEU A 62 1.184 -6.674 -4.318 1.00 0.00 C ATOM 938 CG LEU A 62 -0.252 -6.644 -3.778 1.00 0.00 C ATOM 939 CD1 LEU A 62 -0.711 -8.083 -3.497 1.00 0.00 C ATOM 940 CD2 LEU A 62 -0.284 -5.842 -2.471 1.00 0.00 C ATOM 0 H LEU A 62 -0.553 -5.216 -6.095 1.00 0.00 H new ATOM 0 HA LEU A 62 2.213 -6.381 -6.183 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.645 -7.636 -4.095 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.784 -5.911 -3.822 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.912 -6.180 -4.510 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.731 -8.071 -3.113 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.678 -8.662 -4.420 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.051 -8.538 -2.759 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.303 -5.818 -2.084 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.372 -6.313 -1.739 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.056 -4.824 -2.660 1.00 0.00 H new ATOM 952 N LYS A 63 1.215 -8.518 -7.064 1.00 0.00 N ATOM 953 CA LYS A 63 0.576 -9.580 -7.892 1.00 0.00 C ATOM 954 C LYS A 63 1.216 -10.951 -7.663 1.00 0.00 C ATOM 955 O LYS A 63 2.366 -11.052 -7.281 1.00 0.00 O ATOM 956 CB LYS A 63 0.747 -9.182 -9.363 1.00 0.00 C ATOM 957 CG LYS A 63 -0.404 -9.771 -10.190 1.00 0.00 C ATOM 958 CD LYS A 63 -0.905 -8.705 -11.175 1.00 0.00 C ATOM 959 CE LYS A 63 0.196 -8.397 -12.196 1.00 0.00 C ATOM 960 NZ LYS A 63 0.502 -9.614 -13.001 1.00 0.00 N ATOM 0 H LYS A 63 2.224 -8.598 -6.941 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.475 -9.663 -7.613 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.759 -8.096 -9.458 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.703 -9.545 -9.740 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.066 -10.655 -10.731 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.215 -10.089 -9.535 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -1.801 -9.058 -11.685 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.181 -7.798 -10.637 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.122 -7.587 -12.853 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.095 -8.056 -11.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 0.961 -9.335 -13.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 1.140 -10.235 -12.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.381 -10.123 -13.211 1.00 0.00 H new ATOM 974 N SER A 64 0.427 -11.971 -7.885 1.00 0.00 N ATOM 975 CA SER A 64 0.931 -13.373 -7.786 1.00 0.00 C ATOM 976 C SER A 64 1.173 -13.756 -6.324 1.00 0.00 C ATOM 977 O SER A 64 2.163 -14.376 -5.990 1.00 0.00 O ATOM 978 CB SER A 64 2.233 -13.500 -8.590 1.00 0.00 C ATOM 979 OG SER A 64 2.405 -14.903 -8.729 1.00 0.00 O ATOM 0 H SER A 64 -0.559 -11.890 -8.134 1.00 0.00 H new ATOM 0 HA SER A 64 0.182 -14.052 -8.195 1.00 0.00 H new ATOM 0 HB2 SER A 64 2.155 -13.008 -9.559 1.00 0.00 H new ATOM 0 HB3 SER A 64 3.073 -13.043 -8.067 1.00 0.00 H new ATOM 0 HG SER A 64 2.429 -15.319 -7.842 1.00 0.00 H new ATOM 985 N LEU A 65 0.244 -13.379 -5.485 1.00 0.00 N ATOM 986 CA LEU A 65 0.362 -13.740 -4.043 1.00 0.00 C ATOM 987 C LEU A 65 -0.260 -15.116 -3.777 1.00 0.00 C ATOM 988 O LEU A 65 -0.639 -15.815 -4.694 1.00 0.00 O ATOM 989 CB LEU A 65 -0.365 -12.668 -3.219 1.00 0.00 C ATOM 990 CG LEU A 65 0.551 -11.449 -2.995 1.00 0.00 C ATOM 991 CD1 LEU A 65 1.863 -11.889 -2.328 1.00 0.00 C ATOM 992 CD2 LEU A 65 0.881 -10.801 -4.344 1.00 0.00 C ATOM 0 H LEU A 65 -0.586 -12.840 -5.734 1.00 0.00 H new ATOM 0 HA LEU A 65 1.414 -13.787 -3.761 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.274 -12.358 -3.735 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.670 -13.083 -2.258 1.00 0.00 H new ATOM 0 HG LEU A 65 0.034 -10.737 -2.352 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.503 -11.020 -2.175 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.644 -12.353 -1.366 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.374 -12.607 -2.969 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.529 -9.939 -4.185 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.390 -11.525 -4.981 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.041 -10.478 -4.828 1.00 0.00 H new ATOM 1004 N ASP A 66 -0.355 -15.470 -2.523 1.00 0.00 N ATOM 1005 CA ASP A 66 -0.812 -16.846 -2.170 1.00 0.00 C ATOM 1006 C ASP A 66 -2.338 -16.939 -2.124 1.00 0.00 C ATOM 1007 O ASP A 66 -3.019 -16.038 -1.674 1.00 0.00 O ATOM 1008 CB ASP A 66 -0.255 -17.192 -0.784 1.00 0.00 C ATOM 1009 CG ASP A 66 1.275 -17.121 -0.822 1.00 0.00 C ATOM 1010 OD1 ASP A 66 1.767 -16.004 -0.787 1.00 0.00 O ATOM 1011 OD2 ASP A 66 1.864 -18.187 -0.888 1.00 0.00 O ATOM 0 H ASP A 66 -0.137 -14.868 -1.729 1.00 0.00 H new ATOM 0 HA ASP A 66 -0.454 -17.539 -2.931 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -0.644 -16.498 -0.039 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -0.577 -18.191 -0.489 1.00 0.00 H new ATOM 1016 N TRP A 67 -2.850 -18.057 -2.559 1.00 0.00 N ATOM 1017 CA TRP A 67 -4.331 -18.219 -2.585 1.00 0.00 C ATOM 1018 C TRP A 67 -4.872 -18.487 -1.178 1.00 0.00 C ATOM 1019 O TRP A 67 -4.173 -18.997 -0.325 1.00 0.00 O ATOM 1020 CB TRP A 67 -4.670 -19.402 -3.494 1.00 0.00 C ATOM 1021 CG TRP A 67 -4.215 -19.074 -4.918 1.00 0.00 C ATOM 1022 CD1 TRP A 67 -2.952 -19.253 -5.410 1.00 0.00 C ATOM 1023 CD2 TRP A 67 -4.997 -18.562 -5.898 1.00 0.00 C ATOM 1024 NE1 TRP A 67 -3.063 -18.838 -6.654 1.00 0.00 N ATOM 1025 CE2 TRP A 67 -4.247 -18.407 -7.046 1.00 0.00 C ATOM 1026 CE3 TRP A 67 -6.334 -18.214 -5.894 1.00 0.00 C ATOM 1027 CZ2 TRP A 67 -4.834 -17.910 -8.194 1.00 0.00 C ATOM 1028 CZ3 TRP A 67 -6.923 -17.715 -7.042 1.00 0.00 C ATOM 1029 CH2 TRP A 67 -6.172 -17.565 -8.192 1.00 0.00 C ATOM 0 H TRP A 67 -2.314 -18.858 -2.894 1.00 0.00 H new ATOM 0 HA TRP A 67 -4.788 -17.303 -2.959 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -4.175 -20.306 -3.138 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -5.742 -19.597 -3.476 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -2.080 -19.639 -4.904 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -2.266 -18.849 -7.290 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -6.920 -18.332 -4.994 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -4.247 -17.791 -9.093 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -7.968 -17.443 -7.039 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -6.631 -17.178 -9.090 1.00 0.00 H new ATOM 1040 N ASN A 68 -6.118 -18.140 -0.987 1.00 0.00 N ATOM 1041 CA ASN A 68 -6.766 -18.300 0.346 1.00 0.00 C ATOM 1042 C ASN A 68 -5.827 -17.837 1.466 1.00 0.00 C ATOM 1043 O ASN A 68 -5.604 -18.533 2.437 1.00 0.00 O ATOM 1044 CB ASN A 68 -7.145 -19.776 0.518 1.00 0.00 C ATOM 1045 CG ASN A 68 -8.184 -19.907 1.636 1.00 0.00 C ATOM 1046 OD1 ASN A 68 -9.426 -20.141 1.317 1.00 0.00 O flip ATOM 1047 ND2 ASN A 68 -7.875 -19.796 2.806 1.00 0.00 N flip ATOM 0 H ASN A 68 -6.721 -17.747 -1.709 1.00 0.00 H new ATOM 0 HA ASN A 68 -7.661 -17.681 0.404 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -7.547 -20.171 -0.415 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -6.260 -20.365 0.758 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -6.905 -19.613 3.062 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -8.586 -19.886 3.532 1.00 0.00 H new ATOM 1054 N ALA A 69 -5.290 -16.662 1.278 1.00 0.00 N ATOM 1055 CA ALA A 69 -4.380 -16.073 2.302 1.00 0.00 C ATOM 1056 C ALA A 69 -4.832 -14.649 2.631 1.00 0.00 C ATOM 1057 O ALA A 69 -5.415 -13.981 1.799 1.00 0.00 O ATOM 1058 CB ALA A 69 -2.976 -16.018 1.698 1.00 0.00 C ATOM 0 H ALA A 69 -5.444 -16.081 0.454 1.00 0.00 H new ATOM 0 HA ALA A 69 -4.393 -16.673 3.212 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.284 -15.591 2.424 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.652 -17.026 1.438 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.990 -15.398 0.801 1.00 0.00 H new ATOM 1064 N GLU A 70 -4.547 -14.220 3.831 1.00 0.00 N ATOM 1065 CA GLU A 70 -4.916 -12.830 4.227 1.00 0.00 C ATOM 1066 C GLU A 70 -3.700 -11.915 4.064 1.00 0.00 C ATOM 1067 O GLU A 70 -2.574 -12.345 4.224 1.00 0.00 O ATOM 1068 CB GLU A 70 -5.339 -12.842 5.699 1.00 0.00 C ATOM 1069 CG GLU A 70 -5.943 -11.476 6.057 1.00 0.00 C ATOM 1070 CD GLU A 70 -6.086 -11.377 7.579 1.00 0.00 C ATOM 1071 OE1 GLU A 70 -5.047 -11.285 8.212 1.00 0.00 O ATOM 1072 OE2 GLU A 70 -7.223 -11.398 8.019 1.00 0.00 O ATOM 0 H GLU A 70 -4.077 -14.769 4.551 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.730 -12.466 3.600 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -6.068 -13.633 5.875 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -4.480 -13.052 6.336 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -5.305 -10.674 5.686 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.915 -11.357 5.579 1.00 0.00 H new ATOM 1079 N TYR A 71 -3.962 -10.679 3.733 1.00 0.00 N ATOM 1080 CA TYR A 71 -2.846 -9.719 3.502 1.00 0.00 C ATOM 1081 C TYR A 71 -3.065 -8.386 4.213 1.00 0.00 C ATOM 1082 O TYR A 71 -4.161 -7.861 4.254 1.00 0.00 O ATOM 1083 CB TYR A 71 -2.765 -9.443 2.003 1.00 0.00 C ATOM 1084 CG TYR A 71 -1.974 -10.569 1.341 1.00 0.00 C ATOM 1085 CD1 TYR A 71 -2.581 -11.774 1.063 1.00 0.00 C ATOM 1086 CD2 TYR A 71 -0.632 -10.407 1.062 1.00 0.00 C ATOM 1087 CE1 TYR A 71 -1.854 -12.808 0.516 1.00 0.00 C ATOM 1088 CE2 TYR A 71 0.096 -11.443 0.515 1.00 0.00 C ATOM 1089 CZ TYR A 71 -0.510 -12.653 0.245 1.00 0.00 C ATOM 1090 OH TYR A 71 0.228 -13.706 -0.252 1.00 0.00 O ATOM 0 H TYR A 71 -4.899 -10.294 3.613 1.00 0.00 H new ATOM 0 HA TYR A 71 -1.932 -10.165 3.895 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -3.766 -9.382 1.575 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -2.281 -8.483 1.821 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -3.631 -11.908 1.275 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -0.149 -9.464 1.273 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -2.340 -13.748 0.297 1.00 0.00 H new ATOM 0 HE2 TYR A 71 1.145 -11.307 0.297 1.00 0.00 H new ATOM 0 HH TYR A 71 0.505 -14.288 0.486 1.00 0.00 H new ATOM 1100 N GLU A 72 -1.965 -7.874 4.695 1.00 0.00 N ATOM 1101 CA GLU A 72 -1.933 -6.530 5.336 1.00 0.00 C ATOM 1102 C GLU A 72 -0.971 -5.653 4.534 1.00 0.00 C ATOM 1103 O GLU A 72 0.191 -5.986 4.420 1.00 0.00 O ATOM 1104 CB GLU A 72 -1.342 -6.669 6.743 1.00 0.00 C ATOM 1105 CG GLU A 72 -2.404 -7.162 7.724 1.00 0.00 C ATOM 1106 CD GLU A 72 -2.655 -8.658 7.501 1.00 0.00 C ATOM 1107 OE1 GLU A 72 -1.738 -9.404 7.803 1.00 0.00 O ATOM 1108 OE2 GLU A 72 -3.744 -8.964 7.042 1.00 0.00 O ATOM 0 H GLU A 72 -1.062 -8.347 4.669 1.00 0.00 H new ATOM 0 HA GLU A 72 -2.937 -6.106 5.373 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -0.504 -7.366 6.725 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -0.950 -5.708 7.075 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -2.076 -6.987 8.749 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -3.329 -6.603 7.585 1.00 0.00 H new ATOM 1115 N VAL A 73 -1.474 -4.576 3.998 1.00 0.00 N ATOM 1116 CA VAL A 73 -0.601 -3.634 3.242 1.00 0.00 C ATOM 1117 C VAL A 73 -0.478 -2.341 4.047 1.00 0.00 C ATOM 1118 O VAL A 73 -1.473 -1.722 4.366 1.00 0.00 O ATOM 1119 CB VAL A 73 -1.284 -3.318 1.898 1.00 0.00 C ATOM 1120 CG1 VAL A 73 -0.442 -2.299 1.123 1.00 0.00 C ATOM 1121 CG2 VAL A 73 -1.392 -4.593 1.058 1.00 0.00 C ATOM 0 H VAL A 73 -2.456 -4.306 4.051 1.00 0.00 H new ATOM 0 HA VAL A 73 0.384 -4.069 3.074 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.278 -2.916 2.094 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.926 -2.076 0.172 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -0.350 -1.383 1.707 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.550 -2.712 0.938 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -1.876 -4.363 0.109 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -0.395 -4.991 0.870 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -1.983 -5.334 1.596 1.00 0.00 H new ATOM 1131 N TYR A 74 0.732 -1.967 4.367 1.00 0.00 N ATOM 1132 CA TYR A 74 0.946 -0.695 5.108 1.00 0.00 C ATOM 1133 C TYR A 74 1.635 0.290 4.164 1.00 0.00 C ATOM 1134 O TYR A 74 2.667 -0.015 3.597 1.00 0.00 O ATOM 1135 CB TYR A 74 1.858 -0.970 6.311 1.00 0.00 C ATOM 1136 CG TYR A 74 1.049 -1.590 7.456 1.00 0.00 C ATOM 1137 CD1 TYR A 74 0.315 -0.788 8.309 1.00 0.00 C ATOM 1138 CD2 TYR A 74 1.092 -2.952 7.693 1.00 0.00 C ATOM 1139 CE1 TYR A 74 -0.353 -1.336 9.386 1.00 0.00 C ATOM 1140 CE2 TYR A 74 0.421 -3.499 8.768 1.00 0.00 C ATOM 1141 CZ TYR A 74 -0.304 -2.695 9.623 1.00 0.00 C ATOM 1142 OH TYR A 74 -0.976 -3.243 10.695 1.00 0.00 O ATOM 0 H TYR A 74 1.580 -2.489 4.146 1.00 0.00 H new ATOM 0 HA TYR A 74 -0.002 -0.285 5.457 1.00 0.00 H new ATOM 0 HB2 TYR A 74 2.664 -1.643 6.019 1.00 0.00 H new ATOM 0 HB3 TYR A 74 2.322 -0.042 6.645 1.00 0.00 H new ATOM 0 HD1 TYR A 74 0.263 0.276 8.132 1.00 0.00 H new ATOM 0 HD2 TYR A 74 1.655 -3.593 7.031 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -0.918 -0.697 10.048 1.00 0.00 H new ATOM 0 HE2 TYR A 74 0.464 -4.564 8.941 1.00 0.00 H new ATOM 0 HH TYR A 74 -0.833 -4.212 10.710 1.00 0.00 H new ATOM 1152 N VAL A 75 1.021 1.430 3.997 1.00 0.00 N ATOM 1153 CA VAL A 75 1.588 2.456 3.074 1.00 0.00 C ATOM 1154 C VAL A 75 1.926 3.728 3.855 1.00 0.00 C ATOM 1155 O VAL A 75 1.073 4.317 4.487 1.00 0.00 O ATOM 1156 CB VAL A 75 0.540 2.791 2.002 1.00 0.00 C ATOM 1157 CG1 VAL A 75 1.100 3.881 1.081 1.00 0.00 C ATOM 1158 CG2 VAL A 75 0.250 1.539 1.166 1.00 0.00 C ATOM 0 H VAL A 75 0.152 1.696 4.459 1.00 0.00 H new ATOM 0 HA VAL A 75 2.494 2.067 2.610 1.00 0.00 H new ATOM 0 HB VAL A 75 -0.376 3.137 2.481 1.00 0.00 H new ATOM 0 HG11 VAL A 75 0.363 4.125 0.316 1.00 0.00 H new ATOM 0 HG12 VAL A 75 1.324 4.772 1.667 1.00 0.00 H new ATOM 0 HG13 VAL A 75 2.012 3.521 0.604 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -0.494 1.774 0.404 1.00 0.00 H new ATOM 0 HG22 VAL A 75 1.168 1.202 0.685 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -0.131 0.749 1.814 1.00 0.00 H new ATOM 1168 N VAL A 76 3.178 4.092 3.805 1.00 0.00 N ATOM 1169 CA VAL A 76 3.631 5.362 4.443 1.00 0.00 C ATOM 1170 C VAL A 76 3.894 6.373 3.328 1.00 0.00 C ATOM 1171 O VAL A 76 4.154 5.981 2.210 1.00 0.00 O ATOM 1172 CB VAL A 76 4.967 5.094 5.151 1.00 0.00 C ATOM 1173 CG1 VAL A 76 5.199 6.156 6.232 1.00 0.00 C ATOM 1174 CG2 VAL A 76 4.936 3.708 5.809 1.00 0.00 C ATOM 0 H VAL A 76 3.915 3.558 3.344 1.00 0.00 H new ATOM 0 HA VAL A 76 2.885 5.730 5.147 1.00 0.00 H new ATOM 0 HB VAL A 76 5.772 5.133 4.418 1.00 0.00 H new ATOM 0 HG11 VAL A 76 6.148 5.964 6.733 1.00 0.00 H new ATOM 0 HG12 VAL A 76 5.225 7.144 5.772 1.00 0.00 H new ATOM 0 HG13 VAL A 76 4.389 6.116 6.961 1.00 0.00 H new ATOM 0 HG21 VAL A 76 5.886 3.522 6.310 1.00 0.00 H new ATOM 0 HG22 VAL A 76 4.127 3.670 6.539 1.00 0.00 H new ATOM 0 HG23 VAL A 76 4.773 2.947 5.046 1.00 0.00 H new ATOM 1184 N ALA A 77 3.871 7.640 3.642 1.00 0.00 N ATOM 1185 CA ALA A 77 4.184 8.645 2.584 1.00 0.00 C ATOM 1186 C ALA A 77 5.249 9.613 3.094 1.00 0.00 C ATOM 1187 O ALA A 77 5.525 9.654 4.277 1.00 0.00 O ATOM 1188 CB ALA A 77 2.905 9.418 2.252 1.00 0.00 C ATOM 0 H ALA A 77 3.654 8.018 4.564 1.00 0.00 H new ATOM 0 HA ALA A 77 4.559 8.143 1.692 1.00 0.00 H new ATOM 0 HB1 ALA A 77 3.117 10.157 1.480 1.00 0.00 H new ATOM 0 HB2 ALA A 77 2.144 8.725 1.892 1.00 0.00 H new ATOM 0 HB3 ALA A 77 2.542 9.923 3.147 1.00 0.00 H new ATOM 1194 N GLU A 78 5.848 10.355 2.200 1.00 0.00 N ATOM 1195 CA GLU A 78 6.782 11.421 2.659 1.00 0.00 C ATOM 1196 C GLU A 78 6.240 12.768 2.184 1.00 0.00 C ATOM 1197 O GLU A 78 5.390 12.811 1.318 1.00 0.00 O ATOM 1198 CB GLU A 78 8.149 11.144 2.031 1.00 0.00 C ATOM 1199 CG GLU A 78 9.193 12.103 2.614 1.00 0.00 C ATOM 1200 CD GLU A 78 10.521 11.889 1.884 1.00 0.00 C ATOM 1201 OE1 GLU A 78 11.109 10.847 2.124 1.00 0.00 O ATOM 1202 OE2 GLU A 78 10.865 12.774 1.118 1.00 0.00 O ATOM 0 H GLU A 78 5.733 10.271 1.190 1.00 0.00 H new ATOM 0 HA GLU A 78 6.875 11.437 3.745 1.00 0.00 H new ATOM 0 HB2 GLU A 78 8.444 10.112 2.221 1.00 0.00 H new ATOM 0 HB3 GLU A 78 8.094 11.266 0.949 1.00 0.00 H new ATOM 0 HG2 GLU A 78 8.862 13.135 2.501 1.00 0.00 H new ATOM 0 HG3 GLU A 78 9.316 11.923 3.682 1.00 0.00 H new ATOM 1209 N ASN A 79 6.707 13.837 2.768 1.00 0.00 N ATOM 1210 CA ASN A 79 6.233 15.177 2.316 1.00 0.00 C ATOM 1211 C ASN A 79 7.317 16.232 2.550 1.00 0.00 C ATOM 1212 O ASN A 79 8.175 16.076 3.398 1.00 0.00 O ATOM 1213 CB ASN A 79 4.967 15.517 3.115 1.00 0.00 C ATOM 1214 CG ASN A 79 4.408 16.876 2.679 1.00 0.00 C ATOM 1215 OD1 ASN A 79 4.991 17.904 2.954 1.00 0.00 O ATOM 1216 ND2 ASN A 79 3.276 16.929 2.030 1.00 0.00 N ATOM 0 H ASN A 79 7.387 13.843 3.528 1.00 0.00 H new ATOM 0 HA ASN A 79 6.013 15.164 1.249 1.00 0.00 H new ATOM 0 HB2 ASN A 79 4.215 14.742 2.964 1.00 0.00 H new ATOM 0 HB3 ASN A 79 5.196 15.536 4.181 1.00 0.00 H new ATOM 0 HD21 ASN A 79 2.886 17.831 1.757 1.00 0.00 H new ATOM 0 HD22 ASN A 79 2.781 16.068 1.796 1.00 0.00 H new ATOM 1223 N GLN A 80 7.253 17.272 1.763 1.00 0.00 N ATOM 1224 CA GLN A 80 8.226 18.397 1.888 1.00 0.00 C ATOM 1225 C GLN A 80 8.509 18.772 3.347 1.00 0.00 C ATOM 1226 O GLN A 80 9.613 19.146 3.692 1.00 0.00 O ATOM 1227 CB GLN A 80 7.627 19.612 1.170 1.00 0.00 C ATOM 1228 CG GLN A 80 8.564 20.811 1.351 1.00 0.00 C ATOM 1229 CD GLN A 80 8.043 21.980 0.509 1.00 0.00 C ATOM 1230 OE1 GLN A 80 6.974 22.504 0.747 1.00 0.00 O ATOM 1231 NE2 GLN A 80 8.769 22.416 -0.484 1.00 0.00 N ATOM 0 H GLN A 80 6.557 17.392 1.027 1.00 0.00 H new ATOM 0 HA GLN A 80 9.172 18.084 1.447 1.00 0.00 H new ATOM 0 HB2 GLN A 80 7.494 19.395 0.110 1.00 0.00 H new ATOM 0 HB3 GLN A 80 6.641 19.840 1.575 1.00 0.00 H new ATOM 0 HG2 GLN A 80 8.613 21.096 2.402 1.00 0.00 H new ATOM 0 HG3 GLN A 80 9.576 20.548 1.045 1.00 0.00 H new ATOM 0 HE21 GLN A 80 9.668 21.980 -0.689 1.00 0.00 H new ATOM 0 HE22 GLN A 80 8.437 23.193 -1.055 1.00 0.00 H new ATOM 1240 N GLN A 81 7.506 18.647 4.174 1.00 0.00 N ATOM 1241 CA GLN A 81 7.669 19.040 5.604 1.00 0.00 C ATOM 1242 C GLN A 81 8.397 17.947 6.391 1.00 0.00 C ATOM 1243 O GLN A 81 9.296 18.233 7.156 1.00 0.00 O ATOM 1244 CB GLN A 81 6.270 19.238 6.198 1.00 0.00 C ATOM 1245 CG GLN A 81 5.578 20.386 5.453 1.00 0.00 C ATOM 1246 CD GLN A 81 4.061 20.214 5.562 1.00 0.00 C ATOM 1247 OE1 GLN A 81 3.460 20.526 6.571 1.00 0.00 O ATOM 1248 NE2 GLN A 81 3.420 19.720 4.536 1.00 0.00 N ATOM 0 H GLN A 81 6.584 18.291 3.923 1.00 0.00 H new ATOM 0 HA GLN A 81 8.258 19.955 5.665 1.00 0.00 H new ATOM 0 HB2 GLN A 81 5.687 18.322 6.106 1.00 0.00 H new ATOM 0 HB3 GLN A 81 6.340 19.465 7.262 1.00 0.00 H new ATOM 0 HG2 GLN A 81 5.879 21.344 5.877 1.00 0.00 H new ATOM 0 HG3 GLN A 81 5.881 20.391 4.406 1.00 0.00 H new ATOM 0 HE21 GLN A 81 3.931 19.460 3.692 1.00 0.00 H new ATOM 0 HE22 GLN A 81 2.409 19.594 4.579 1.00 0.00 H new ATOM 1257 N GLY A 82 7.998 16.720 6.190 1.00 0.00 N ATOM 1258 CA GLY A 82 8.692 15.601 6.886 1.00 0.00 C ATOM 1259 C GLY A 82 8.153 14.267 6.376 1.00 0.00 C ATOM 1260 O GLY A 82 8.223 13.971 5.200 1.00 0.00 O ATOM 0 H GLY A 82 7.228 16.446 5.579 1.00 0.00 H new ATOM 0 HA2 GLY A 82 9.766 15.661 6.711 1.00 0.00 H new ATOM 0 HA3 GLY A 82 8.539 15.679 7.962 1.00 0.00 H new ATOM 1264 N LYS A 83 7.582 13.509 7.272 1.00 0.00 N ATOM 1265 CA LYS A 83 7.036 12.180 6.877 1.00 0.00 C ATOM 1266 C LYS A 83 5.527 12.124 7.120 1.00 0.00 C ATOM 1267 O LYS A 83 4.981 12.934 7.842 1.00 0.00 O ATOM 1268 CB LYS A 83 7.726 11.126 7.742 1.00 0.00 C ATOM 1269 CG LYS A 83 8.950 10.569 6.997 1.00 0.00 C ATOM 1270 CD LYS A 83 8.490 9.678 5.832 1.00 0.00 C ATOM 1271 CE LYS A 83 7.958 8.349 6.378 1.00 0.00 C ATOM 1272 NZ LYS A 83 9.065 7.581 7.017 1.00 0.00 N ATOM 0 H LYS A 83 7.470 13.751 8.256 1.00 0.00 H new ATOM 0 HA LYS A 83 7.217 12.003 5.817 1.00 0.00 H new ATOM 0 HB2 LYS A 83 8.034 11.565 8.691 1.00 0.00 H new ATOM 0 HB3 LYS A 83 7.031 10.319 7.974 1.00 0.00 H new ATOM 0 HG2 LYS A 83 9.562 11.389 6.620 1.00 0.00 H new ATOM 0 HG3 LYS A 83 9.574 9.994 7.682 1.00 0.00 H new ATOM 0 HD2 LYS A 83 7.713 10.184 5.259 1.00 0.00 H new ATOM 0 HD3 LYS A 83 9.321 9.496 5.151 1.00 0.00 H new ATOM 0 HE2 LYS A 83 7.167 8.535 7.104 1.00 0.00 H new ATOM 0 HE3 LYS A 83 7.518 7.765 5.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 8.822 6.570 7.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 9.941 7.719 6.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 9.204 7.918 7.991 1.00 0.00 H new ATOM 1286 N SER A 84 4.893 11.160 6.507 1.00 0.00 N ATOM 1287 CA SER A 84 3.417 11.024 6.652 1.00 0.00 C ATOM 1288 C SER A 84 3.074 9.637 7.193 1.00 0.00 C ATOM 1289 O SER A 84 3.307 8.646 6.528 1.00 0.00 O ATOM 1290 CB SER A 84 2.789 11.179 5.267 1.00 0.00 C ATOM 1291 OG SER A 84 2.066 12.394 5.366 1.00 0.00 O ATOM 0 H SER A 84 5.336 10.460 5.911 1.00 0.00 H new ATOM 0 HA SER A 84 3.040 11.781 7.340 1.00 0.00 H new ATOM 0 HB2 SER A 84 3.547 11.226 4.485 1.00 0.00 H new ATOM 0 HB3 SER A 84 2.135 10.341 5.027 1.00 0.00 H new ATOM 0 HG SER A 84 1.190 12.221 5.770 1.00 0.00 H new ATOM 1297 N LYS A 85 2.508 9.640 8.372 1.00 0.00 N ATOM 1298 CA LYS A 85 2.148 8.375 9.078 1.00 0.00 C ATOM 1299 C LYS A 85 1.598 7.305 8.133 1.00 0.00 C ATOM 1300 O LYS A 85 1.076 7.599 7.077 1.00 0.00 O ATOM 1301 CB LYS A 85 1.071 8.704 10.118 1.00 0.00 C ATOM 1302 CG LYS A 85 1.645 9.694 11.140 1.00 0.00 C ATOM 1303 CD LYS A 85 0.549 10.063 12.149 1.00 0.00 C ATOM 1304 CE LYS A 85 -0.465 10.993 11.472 1.00 0.00 C ATOM 1305 NZ LYS A 85 -1.488 11.433 12.465 1.00 0.00 N ATOM 0 H LYS A 85 2.275 10.489 8.887 1.00 0.00 H new ATOM 0 HA LYS A 85 3.054 7.975 9.533 1.00 0.00 H new ATOM 0 HB2 LYS A 85 0.196 9.133 9.630 1.00 0.00 H new ATOM 0 HB3 LYS A 85 0.742 7.794 10.620 1.00 0.00 H new ATOM 0 HG2 LYS A 85 2.497 9.251 11.655 1.00 0.00 H new ATOM 0 HG3 LYS A 85 2.008 10.589 10.634 1.00 0.00 H new ATOM 0 HD2 LYS A 85 0.051 9.163 12.509 1.00 0.00 H new ATOM 0 HD3 LYS A 85 0.988 10.554 13.018 1.00 0.00 H new ATOM 0 HE2 LYS A 85 0.046 11.860 11.054 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -0.948 10.477 10.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -2.173 12.063 12.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -1.984 10.601 12.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -1.021 11.942 13.243 1.00 0.00 H new ATOM 1319 N ALA A 86 1.686 6.080 8.577 1.00 0.00 N ATOM 1320 CA ALA A 86 1.264 4.950 7.705 1.00 0.00 C ATOM 1321 C ALA A 86 -0.244 4.712 7.785 1.00 0.00 C ATOM 1322 O ALA A 86 -0.844 4.785 8.840 1.00 0.00 O ATOM 1323 CB ALA A 86 1.988 3.686 8.175 1.00 0.00 C ATOM 0 H ALA A 86 2.030 5.815 9.500 1.00 0.00 H new ATOM 0 HA ALA A 86 1.515 5.193 6.672 1.00 0.00 H new ATOM 0 HB1 ALA A 86 1.693 2.844 7.549 1.00 0.00 H new ATOM 0 HB2 ALA A 86 3.065 3.834 8.100 1.00 0.00 H new ATOM 0 HB3 ALA A 86 1.722 3.478 9.211 1.00 0.00 H new ATOM 1329 N ALA A 87 -0.806 4.434 6.642 1.00 0.00 N ATOM 1330 CA ALA A 87 -2.235 4.020 6.578 1.00 0.00 C ATOM 1331 C ALA A 87 -2.262 2.521 6.288 1.00 0.00 C ATOM 1332 O ALA A 87 -1.405 2.021 5.586 1.00 0.00 O ATOM 1333 CB ALA A 87 -2.909 4.774 5.430 1.00 0.00 C ATOM 0 H ALA A 87 -0.331 4.476 5.740 1.00 0.00 H new ATOM 0 HA ALA A 87 -2.756 4.239 7.510 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -3.957 4.482 5.369 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -2.841 5.847 5.610 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.410 4.531 4.492 1.00 0.00 H new ATOM 1339 N HIS A 88 -3.236 1.840 6.827 1.00 0.00 N ATOM 1340 CA HIS A 88 -3.241 0.356 6.698 1.00 0.00 C ATOM 1341 C HIS A 88 -4.449 -0.141 5.898 1.00 0.00 C ATOM 1342 O HIS A 88 -5.578 0.234 6.147 1.00 0.00 O ATOM 1343 CB HIS A 88 -3.255 -0.243 8.106 1.00 0.00 C ATOM 1344 CG HIS A 88 -3.074 -1.758 8.005 1.00 0.00 C ATOM 1345 ND1 HIS A 88 -3.732 -2.641 8.685 1.00 0.00 N ATOM 1346 CD2 HIS A 88 -2.198 -2.503 7.237 1.00 0.00 C ATOM 1347 CE1 HIS A 88 -3.312 -3.828 8.374 1.00 0.00 C ATOM 1348 NE2 HIS A 88 -2.361 -3.787 7.475 1.00 0.00 N ATOM 0 H HIS A 88 -4.019 2.240 7.344 1.00 0.00 H new ATOM 0 HA HIS A 88 -2.350 0.042 6.155 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -2.457 0.192 8.708 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -4.195 -0.009 8.605 1.00 0.00 H new ATOM 0 HD1 HIS A 88 -4.467 -2.435 9.361 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -1.482 -2.090 6.541 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -3.700 -4.740 8.804 1.00 0.00 H new ATOM 1356 N PHE A 89 -4.149 -0.985 4.948 1.00 0.00 N ATOM 1357 CA PHE A 89 -5.191 -1.569 4.058 1.00 0.00 C ATOM 1358 C PHE A 89 -5.197 -3.086 4.260 1.00 0.00 C ATOM 1359 O PHE A 89 -4.155 -3.711 4.217 1.00 0.00 O ATOM 1360 CB PHE A 89 -4.766 -1.242 2.619 1.00 0.00 C ATOM 1361 CG PHE A 89 -5.653 -1.977 1.611 1.00 0.00 C ATOM 1362 CD1 PHE A 89 -6.897 -1.475 1.289 1.00 0.00 C ATOM 1363 CD2 PHE A 89 -5.195 -3.115 0.975 1.00 0.00 C ATOM 1364 CE1 PHE A 89 -7.676 -2.102 0.339 1.00 0.00 C ATOM 1365 CE2 PHE A 89 -5.969 -3.740 0.021 1.00 0.00 C ATOM 1366 CZ PHE A 89 -7.213 -3.236 -0.295 1.00 0.00 C ATOM 0 H PHE A 89 -3.200 -1.301 4.748 1.00 0.00 H new ATOM 0 HA PHE A 89 -6.185 -1.174 4.270 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -4.831 -0.167 2.451 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.724 -1.526 2.469 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -7.263 -0.587 1.783 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -4.225 -3.517 1.227 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -8.649 -1.705 0.091 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -5.601 -4.624 -0.479 1.00 0.00 H new ATOM 0 HZ PHE A 89 -7.824 -3.728 -1.037 1.00 0.00 H new ATOM 1376 N VAL A 90 -6.353 -3.650 4.480 1.00 0.00 N ATOM 1377 CA VAL A 90 -6.401 -5.113 4.771 1.00 0.00 C ATOM 1378 C VAL A 90 -7.372 -5.827 3.829 1.00 0.00 C ATOM 1379 O VAL A 90 -8.428 -5.313 3.516 1.00 0.00 O ATOM 1380 CB VAL A 90 -6.874 -5.314 6.219 1.00 0.00 C ATOM 1381 CG1 VAL A 90 -6.236 -6.595 6.764 1.00 0.00 C ATOM 1382 CG2 VAL A 90 -6.419 -4.133 7.084 1.00 0.00 C ATOM 0 H VAL A 90 -7.254 -3.171 4.472 1.00 0.00 H new ATOM 0 HA VAL A 90 -5.405 -5.532 4.627 1.00 0.00 H new ATOM 0 HB VAL A 90 -7.962 -5.383 6.243 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -6.561 -6.754 7.792 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -6.542 -7.443 6.151 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -5.150 -6.501 6.737 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -6.757 -4.281 8.109 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -5.331 -4.067 7.067 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -6.845 -3.209 6.692 1.00 0.00 H new ATOM 1392 N PHE A 91 -6.986 -6.998 3.397 1.00 0.00 N ATOM 1393 CA PHE A 91 -7.892 -7.780 2.506 1.00 0.00 C ATOM 1394 C PHE A 91 -7.499 -9.261 2.474 1.00 0.00 C ATOM 1395 O PHE A 91 -6.539 -9.665 3.099 1.00 0.00 O ATOM 1396 CB PHE A 91 -7.794 -7.200 1.089 1.00 0.00 C ATOM 1397 CG PHE A 91 -6.435 -7.569 0.487 1.00 0.00 C ATOM 1398 CD1 PHE A 91 -5.319 -6.791 0.733 1.00 0.00 C ATOM 1399 CD2 PHE A 91 -6.309 -8.705 -0.288 1.00 0.00 C ATOM 1400 CE1 PHE A 91 -4.093 -7.147 0.211 1.00 0.00 C ATOM 1401 CE2 PHE A 91 -5.082 -9.067 -0.806 1.00 0.00 C ATOM 1402 CZ PHE A 91 -3.972 -8.286 -0.555 1.00 0.00 C ATOM 0 H PHE A 91 -6.095 -7.442 3.619 1.00 0.00 H new ATOM 0 HA PHE A 91 -8.911 -7.710 2.887 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -8.599 -7.591 0.467 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -7.910 -6.117 1.118 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -5.408 -5.900 1.337 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -7.177 -9.315 -0.490 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -3.226 -6.532 0.403 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -4.991 -9.960 -1.407 1.00 0.00 H new ATOM 0 HZ PHE A 91 -3.010 -8.567 -0.958 1.00 0.00 H new ATOM 1412 N ARG A 92 -8.248 -10.033 1.734 1.00 0.00 N ATOM 1413 CA ARG A 92 -7.895 -11.474 1.564 1.00 0.00 C ATOM 1414 C ARG A 92 -7.916 -11.842 0.079 1.00 0.00 C ATOM 1415 O ARG A 92 -8.699 -11.312 -0.684 1.00 0.00 O ATOM 1416 CB ARG A 92 -8.937 -12.320 2.306 1.00 0.00 C ATOM 1417 CG ARG A 92 -8.382 -13.739 2.493 1.00 0.00 C ATOM 1418 CD ARG A 92 -9.544 -14.706 2.739 1.00 0.00 C ATOM 1419 NE ARG A 92 -10.326 -14.822 1.475 1.00 0.00 N ATOM 1420 CZ ARG A 92 -11.627 -14.912 1.528 1.00 0.00 C ATOM 1421 NH1 ARG A 92 -12.336 -13.816 1.509 1.00 0.00 N ATOM 1422 NH2 ARG A 92 -12.176 -16.093 1.596 1.00 0.00 N ATOM 0 H ARG A 92 -9.088 -9.730 1.240 1.00 0.00 H new ATOM 0 HA ARG A 92 -6.898 -11.659 1.964 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -9.165 -11.874 3.274 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -9.869 -12.351 1.742 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -7.822 -14.043 1.609 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -7.689 -13.763 3.334 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -9.168 -15.682 3.045 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -10.178 -14.341 3.547 1.00 0.00 H new ATOM 0 HE ARG A 92 -9.847 -14.831 0.574 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -11.872 -12.909 1.454 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -13.354 -13.866 1.550 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -11.590 -16.928 1.607 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -13.191 -16.182 1.638 1.00 0.00 H new ATOM 1436 N THR A 93 -7.074 -12.769 -0.293 1.00 0.00 N ATOM 1437 CA THR A 93 -7.034 -13.207 -1.720 1.00 0.00 C ATOM 1438 C THR A 93 -8.178 -14.189 -1.986 1.00 0.00 C ATOM 1439 O THR A 93 -8.869 -14.595 -1.071 1.00 0.00 O ATOM 1440 CB THR A 93 -5.689 -13.901 -1.990 1.00 0.00 C ATOM 1441 OG1 THR A 93 -5.692 -15.059 -1.170 1.00 0.00 O ATOM 1442 CG2 THR A 93 -4.519 -13.079 -1.439 1.00 0.00 C ATOM 0 H THR A 93 -6.415 -13.241 0.326 1.00 0.00 H new ATOM 0 HA THR A 93 -7.143 -12.343 -2.375 1.00 0.00 H new ATOM 0 HB THR A 93 -5.580 -14.066 -3.062 1.00 0.00 H new ATOM 0 HG1 THR A 93 -6.139 -15.793 -1.642 1.00 0.00 H new ATOM 0 HG21 THR A 93 -3.582 -13.596 -1.646 1.00 0.00 H new ATOM 0 HG22 THR A 93 -4.506 -12.099 -1.917 1.00 0.00 H new ATOM 0 HG23 THR A 93 -4.636 -12.956 -0.362 1.00 0.00 H new ATOM 1450 N SER A 94 -8.360 -14.535 -3.232 1.00 0.00 N ATOM 1451 CA SER A 94 -9.458 -15.481 -3.586 1.00 0.00 C ATOM 1452 C SER A 94 -8.979 -16.926 -3.427 1.00 0.00 C ATOM 1453 O SER A 94 -7.911 -17.179 -2.909 1.00 0.00 O ATOM 1454 CB SER A 94 -9.844 -15.246 -5.051 1.00 0.00 C ATOM 1455 OG SER A 94 -11.170 -15.748 -5.141 1.00 0.00 O ATOM 0 H SER A 94 -7.799 -14.205 -4.017 1.00 0.00 H new ATOM 0 HA SER A 94 -10.311 -15.313 -2.929 1.00 0.00 H new ATOM 0 HB2 SER A 94 -9.799 -14.188 -5.311 1.00 0.00 H new ATOM 0 HB3 SER A 94 -9.172 -15.770 -5.730 1.00 0.00 H new ATOM 0 HG SER A 94 -11.501 -15.635 -6.056 1.00 0.00 H new ATOM 1461 N ALA A 95 -9.793 -17.843 -3.878 1.00 0.00 N ATOM 1462 CA ALA A 95 -9.433 -19.285 -3.772 1.00 0.00 C ATOM 1463 C ALA A 95 -9.033 -19.828 -5.143 1.00 0.00 C ATOM 1464 O ALA A 95 -9.602 -19.462 -6.153 1.00 0.00 O ATOM 1465 CB ALA A 95 -10.659 -20.051 -3.267 1.00 0.00 C ATOM 0 H ALA A 95 -10.694 -17.654 -4.316 1.00 0.00 H new ATOM 0 HA ALA A 95 -8.595 -19.405 -3.086 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -10.417 -21.110 -3.182 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -10.951 -19.666 -2.290 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -11.483 -19.922 -3.969 1.00 0.00 H new ATOM 1471 N GLN A 96 -8.056 -20.694 -5.142 1.00 0.00 N ATOM 1472 CA GLN A 96 -7.573 -21.273 -6.429 1.00 0.00 C ATOM 1473 C GLN A 96 -8.479 -22.427 -6.870 1.00 0.00 C ATOM 1474 O GLN A 96 -8.879 -22.388 -8.023 1.00 0.00 O ATOM 1475 CB GLN A 96 -6.149 -21.798 -6.215 1.00 0.00 C ATOM 1476 CG GLN A 96 -5.470 -21.960 -7.578 1.00 0.00 C ATOM 1477 CD GLN A 96 -4.000 -22.325 -7.360 1.00 0.00 C ATOM 1478 OE1 GLN A 96 -3.677 -23.372 -6.838 1.00 0.00 O ATOM 1479 NE2 GLN A 96 -3.078 -21.483 -7.742 1.00 0.00 N ATOM 1480 OXT GLN A 96 -8.718 -23.279 -6.030 1.00 0.00 O ATOM 0 H GLN A 96 -7.572 -21.025 -4.308 1.00 0.00 H new ATOM 0 HA GLN A 96 -7.588 -20.506 -7.203 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -5.582 -21.107 -5.591 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -6.174 -22.753 -5.691 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -5.969 -22.737 -8.158 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -5.548 -21.035 -8.150 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -3.343 -20.601 -8.181 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -2.093 -21.707 -7.601 1.00 0.00 H new TER 1489 GLN A 96