USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 654 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 83 MET CE :methyl -132:sc= -0.38 (180deg=-1.19!) USER MOD Set 1.2: A 84 ASN : amide:sc= -0.0263 X(o=-0.41,f=-0.38) USER MOD Set 2.1: A 55 ASN : amide:sc= -8.37! C(o=-11!,f=-5.3!) USER MOD Set 2.2: A 71 LYS NZ :NH3+ -170:sc= -2.29 (180deg=-0.393) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0255 USER MOD Single : A 17 ASN : amide:sc= -0.141 K(o=-0.14,f=-1.9!) USER MOD Single : A 19 THR OG1 : rot 88:sc= 0.436 USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 23 GLN : amide:sc= -0.748 K(o=-0.75,f=-0.047) USER MOD Single : A 24 LYS NZ :NH3+ -173:sc= -4.91! (180deg=-5.16!) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -2.73! K(o=-2.7!,f=-1) USER MOD Single : A 34 HIS : no HD1:sc= -15.7! C(o=-16!,f=-14!) USER MOD Single : A 39 ASN : amide:sc= -4.99 K(o=-5,f=-0.44) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 98:sc= 0.298 USER MOD Single : A 49 MET CE :methyl -122:sc= -0.16 (180deg=-0.911) USER MOD Single : A 53 MET CE :methyl -142:sc= -0.101 (180deg=-0.453) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0.036) USER MOD Single : A 64 THR OG1 : rot 180:sc=0.000862 USER MOD Single : A 73 GLN : amide:sc= -0.33 X(o=-0.33,f=-0.49) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 HIS : no HD1:sc= -0.368 X(o=-0.37,f=-0.18) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 16.874 -4.286 -29.614 1.00 0.00 N ATOM 2 CA GLY A 1 17.681 -4.557 -30.836 1.00 0.00 C ATOM 3 C GLY A 1 18.552 -3.381 -31.224 1.00 0.00 C ATOM 4 O GLY A 1 19.515 -3.056 -30.528 1.00 0.00 O ATOM 0 H1 GLY A 1 16.295 -5.120 -29.389 1.00 0.00 H new ATOM 0 H2 GLY A 1 17.509 -4.080 -28.817 1.00 0.00 H new ATOM 0 H3 GLY A 1 16.253 -3.468 -29.782 1.00 0.00 H new ATOM 0 HA2 GLY A 1 18.310 -5.431 -30.667 1.00 0.00 H new ATOM 0 HA3 GLY A 1 17.013 -4.800 -31.663 1.00 0.00 H new ATOM 10 N SER A 2 18.213 -2.737 -32.336 1.00 0.00 N ATOM 11 CA SER A 2 18.972 -1.586 -32.811 1.00 0.00 C ATOM 12 C SER A 2 18.693 -0.362 -31.945 1.00 0.00 C ATOM 13 O SER A 2 19.557 0.495 -31.766 1.00 0.00 O ATOM 14 CB SER A 2 18.624 -1.283 -34.269 1.00 0.00 C ATOM 15 OG SER A 2 18.714 -2.451 -35.066 1.00 0.00 O ATOM 0 H SER A 2 17.419 -2.992 -32.924 1.00 0.00 H new ATOM 0 HA SER A 2 20.033 -1.827 -32.743 1.00 0.00 H new ATOM 0 HB2 SER A 2 17.615 -0.875 -34.328 1.00 0.00 H new ATOM 0 HB3 SER A 2 19.300 -0.521 -34.657 1.00 0.00 H new ATOM 0 HG SER A 2 18.485 -2.233 -35.994 1.00 0.00 H new ATOM 21 N SER A 3 17.479 -0.293 -31.406 1.00 0.00 N ATOM 22 CA SER A 3 17.081 0.822 -30.555 1.00 0.00 C ATOM 23 C SER A 3 16.981 0.380 -29.099 1.00 0.00 C ATOM 24 O SER A 3 15.974 -0.194 -28.683 1.00 0.00 O ATOM 25 CB SER A 3 15.741 1.393 -31.021 1.00 0.00 C ATOM 26 OG SER A 3 15.568 1.218 -32.415 1.00 0.00 O ATOM 0 H SER A 3 16.754 -0.997 -31.544 1.00 0.00 H new ATOM 0 HA SER A 3 17.843 1.598 -30.631 1.00 0.00 H new ATOM 0 HB2 SER A 3 14.928 0.902 -30.486 1.00 0.00 H new ATOM 0 HB3 SER A 3 15.689 2.454 -30.776 1.00 0.00 H new ATOM 0 HG SER A 3 14.703 1.590 -32.687 1.00 0.00 H new ATOM 32 N LEU A 4 18.029 0.651 -28.331 1.00 0.00 N ATOM 33 CA LEU A 4 18.060 0.279 -26.921 1.00 0.00 C ATOM 34 C LEU A 4 17.037 1.082 -26.122 1.00 0.00 C ATOM 35 O LEU A 4 16.725 2.222 -26.465 1.00 0.00 O ATOM 36 CB LEU A 4 19.461 0.501 -26.346 1.00 0.00 C ATOM 37 CG LEU A 4 20.483 -0.583 -26.689 1.00 0.00 C ATOM 38 CD1 LEU A 4 20.029 -1.932 -26.156 1.00 0.00 C ATOM 39 CD2 LEU A 4 20.707 -0.648 -28.193 1.00 0.00 C ATOM 0 H LEU A 4 18.869 1.127 -28.660 1.00 0.00 H new ATOM 0 HA LEU A 4 17.805 -0.778 -26.844 1.00 0.00 H new ATOM 0 HB2 LEU A 4 19.837 1.459 -26.705 1.00 0.00 H new ATOM 0 HB3 LEU A 4 19.384 0.575 -25.261 1.00 0.00 H new ATOM 0 HG LEU A 4 21.429 -0.328 -26.212 1.00 0.00 H new ATOM 0 HD11 LEU A 4 20.769 -2.691 -26.410 1.00 0.00 H new ATOM 0 HD12 LEU A 4 19.922 -1.878 -25.073 1.00 0.00 H new ATOM 0 HD13 LEU A 4 19.071 -2.196 -26.603 1.00 0.00 H new ATOM 0 HD21 LEU A 4 21.437 -1.425 -28.419 1.00 0.00 H new ATOM 0 HD22 LEU A 4 19.766 -0.879 -28.691 1.00 0.00 H new ATOM 0 HD23 LEU A 4 21.079 0.313 -28.547 1.00 0.00 H new ATOM 51 N ALA A 5 16.515 0.476 -25.060 1.00 0.00 N ATOM 52 CA ALA A 5 15.526 1.133 -24.214 1.00 0.00 C ATOM 53 C ALA A 5 16.198 1.957 -23.118 1.00 0.00 C ATOM 54 O ALA A 5 15.895 1.802 -21.935 1.00 0.00 O ATOM 55 CB ALA A 5 14.586 0.104 -23.603 1.00 0.00 C ATOM 0 H ALA A 5 16.761 -0.469 -24.765 1.00 0.00 H new ATOM 0 HA ALA A 5 14.946 1.813 -24.838 1.00 0.00 H new ATOM 0 HB1 ALA A 5 13.853 0.609 -22.974 1.00 0.00 H new ATOM 0 HB2 ALA A 5 14.071 -0.436 -24.398 1.00 0.00 H new ATOM 0 HB3 ALA A 5 15.159 -0.599 -22.999 1.00 0.00 H new ATOM 61 N SER A 6 17.109 2.839 -23.522 1.00 0.00 N ATOM 62 CA SER A 6 17.820 3.690 -22.575 1.00 0.00 C ATOM 63 C SER A 6 16.990 4.923 -22.230 1.00 0.00 C ATOM 64 O SER A 6 16.985 5.906 -22.967 1.00 0.00 O ATOM 65 CB SER A 6 19.170 4.117 -23.158 1.00 0.00 C ATOM 66 OG SER A 6 19.859 3.009 -23.712 1.00 0.00 O ATOM 0 H SER A 6 17.371 2.982 -24.497 1.00 0.00 H new ATOM 0 HA SER A 6 17.990 3.119 -21.662 1.00 0.00 H new ATOM 0 HB2 SER A 6 19.015 4.874 -23.927 1.00 0.00 H new ATOM 0 HB3 SER A 6 19.778 4.575 -22.378 1.00 0.00 H new ATOM 0 HG SER A 6 20.717 3.308 -24.079 1.00 0.00 H new ATOM 72 N GLN A 7 16.283 4.857 -21.105 1.00 0.00 N ATOM 73 CA GLN A 7 15.442 5.967 -20.669 1.00 0.00 C ATOM 74 C GLN A 7 16.215 6.921 -19.762 1.00 0.00 C ATOM 75 O GLN A 7 16.537 8.041 -20.157 1.00 0.00 O ATOM 76 CB GLN A 7 14.202 5.439 -19.942 1.00 0.00 C ATOM 77 CG GLN A 7 12.993 6.353 -20.064 1.00 0.00 C ATOM 78 CD GLN A 7 11.691 5.639 -19.760 1.00 0.00 C ATOM 79 OE1 GLN A 7 11.425 5.267 -18.617 1.00 0.00 O ATOM 80 NE2 GLN A 7 10.868 5.445 -20.784 1.00 0.00 N ATOM 0 H GLN A 7 16.276 4.050 -20.481 1.00 0.00 H new ATOM 0 HA GLN A 7 15.128 6.520 -21.555 1.00 0.00 H new ATOM 0 HB2 GLN A 7 13.947 4.457 -20.341 1.00 0.00 H new ATOM 0 HB3 GLN A 7 14.440 5.303 -18.887 1.00 0.00 H new ATOM 0 HG2 GLN A 7 13.109 7.196 -19.383 1.00 0.00 H new ATOM 0 HG3 GLN A 7 12.952 6.762 -21.073 1.00 0.00 H new ATOM 0 HE21 GLN A 7 11.128 5.769 -21.716 1.00 0.00 H new ATOM 0 HE22 GLN A 7 9.976 4.972 -20.639 1.00 0.00 H new ATOM 89 N GLY A 8 16.508 6.473 -18.545 1.00 0.00 N ATOM 90 CA GLY A 8 17.239 7.305 -17.606 1.00 0.00 C ATOM 91 C GLY A 8 18.653 6.812 -17.376 1.00 0.00 C ATOM 92 O GLY A 8 19.515 6.947 -18.244 1.00 0.00 O ATOM 0 H GLY A 8 16.253 5.550 -18.193 1.00 0.00 H new ATOM 0 HA2 GLY A 8 17.270 8.328 -17.980 1.00 0.00 H new ATOM 0 HA3 GLY A 8 16.706 7.329 -16.655 1.00 0.00 H new ATOM 96 N GLN A 9 18.892 6.239 -16.202 1.00 0.00 N ATOM 97 CA GLN A 9 20.210 5.720 -15.857 1.00 0.00 C ATOM 98 C GLN A 9 20.232 4.199 -15.957 1.00 0.00 C ATOM 99 O GLN A 9 19.288 3.587 -16.457 1.00 0.00 O ATOM 100 CB GLN A 9 20.593 6.160 -14.444 1.00 0.00 C ATOM 101 CG GLN A 9 20.973 7.628 -14.345 1.00 0.00 C ATOM 102 CD GLN A 9 22.461 7.833 -14.140 1.00 0.00 C ATOM 103 OE1 GLN A 9 22.965 7.735 -13.020 1.00 0.00 O ATOM 104 NE2 GLN A 9 23.174 8.120 -15.223 1.00 0.00 N ATOM 0 H GLN A 9 18.189 6.122 -15.472 1.00 0.00 H new ATOM 0 HA GLN A 9 20.936 6.122 -16.564 1.00 0.00 H new ATOM 0 HB2 GLN A 9 19.757 5.964 -13.772 1.00 0.00 H new ATOM 0 HB3 GLN A 9 21.429 5.553 -14.098 1.00 0.00 H new ATOM 0 HG2 GLN A 9 20.661 8.142 -15.254 1.00 0.00 H new ATOM 0 HG3 GLN A 9 20.430 8.085 -13.518 1.00 0.00 H new ATOM 0 HE21 GLN A 9 22.715 8.191 -16.131 1.00 0.00 H new ATOM 0 HE22 GLN A 9 24.180 8.269 -15.146 1.00 0.00 H new ATOM 113 N ASN A 10 21.313 3.590 -15.481 1.00 0.00 N ATOM 114 CA ASN A 10 21.448 2.142 -15.520 1.00 0.00 C ATOM 115 C ASN A 10 20.392 1.470 -14.650 1.00 0.00 C ATOM 116 O ASN A 10 19.434 0.883 -15.155 1.00 0.00 O ATOM 117 CB ASN A 10 22.847 1.725 -15.063 1.00 0.00 C ATOM 118 CG ASN A 10 23.753 1.372 -16.227 1.00 0.00 C ATOM 119 OD1 ASN A 10 24.484 2.220 -16.739 1.00 0.00 O ATOM 120 ND2 ASN A 10 23.709 0.114 -16.651 1.00 0.00 N ATOM 0 H ASN A 10 22.106 4.078 -15.065 1.00 0.00 H new ATOM 0 HA ASN A 10 21.300 1.818 -16.550 1.00 0.00 H new ATOM 0 HB2 ASN A 10 23.296 2.536 -14.489 1.00 0.00 H new ATOM 0 HB3 ASN A 10 22.768 0.868 -14.395 1.00 0.00 H new ATOM 0 HD21 ASN A 10 24.296 -0.182 -17.431 1.00 0.00 H new ATOM 0 HD22 ASN A 10 23.088 -0.556 -16.197 1.00 0.00 H new ATOM 127 N LEU A 11 20.577 1.560 -13.339 1.00 0.00 N ATOM 128 CA LEU A 11 19.648 0.960 -12.384 1.00 0.00 C ATOM 129 C LEU A 11 18.209 1.401 -12.650 1.00 0.00 C ATOM 130 O LEU A 11 17.263 0.707 -12.279 1.00 0.00 O ATOM 131 CB LEU A 11 20.048 1.326 -10.954 1.00 0.00 C ATOM 132 CG LEU A 11 20.049 2.823 -10.642 1.00 0.00 C ATOM 133 CD1 LEU A 11 18.726 3.241 -10.018 1.00 0.00 C ATOM 134 CD2 LEU A 11 21.209 3.177 -9.723 1.00 0.00 C ATOM 0 H LEU A 11 21.365 2.045 -12.909 1.00 0.00 H new ATOM 0 HA LEU A 11 19.699 -0.122 -12.508 1.00 0.00 H new ATOM 0 HB2 LEU A 11 19.367 0.828 -10.264 1.00 0.00 H new ATOM 0 HB3 LEU A 11 21.045 0.930 -10.760 1.00 0.00 H new ATOM 0 HG LEU A 11 20.174 3.368 -11.578 1.00 0.00 H new ATOM 0 HD11 LEU A 11 18.746 4.309 -9.803 1.00 0.00 H new ATOM 0 HD12 LEU A 11 17.913 3.026 -10.711 1.00 0.00 H new ATOM 0 HD13 LEU A 11 18.570 2.688 -9.092 1.00 0.00 H new ATOM 0 HD21 LEU A 11 21.193 4.246 -9.512 1.00 0.00 H new ATOM 0 HD22 LEU A 11 21.116 2.622 -8.790 1.00 0.00 H new ATOM 0 HD23 LEU A 11 22.150 2.917 -10.208 1.00 0.00 H new ATOM 146 N SER A 12 18.048 2.555 -13.293 1.00 0.00 N ATOM 147 CA SER A 12 16.719 3.077 -13.602 1.00 0.00 C ATOM 148 C SER A 12 15.863 2.025 -14.304 1.00 0.00 C ATOM 149 O SER A 12 14.786 1.670 -13.825 1.00 0.00 O ATOM 150 CB SER A 12 16.828 4.328 -14.476 1.00 0.00 C ATOM 151 OG SER A 12 15.565 4.688 -15.012 1.00 0.00 O ATOM 0 H SER A 12 18.818 3.145 -13.609 1.00 0.00 H new ATOM 0 HA SER A 12 16.236 3.339 -12.661 1.00 0.00 H new ATOM 0 HB2 SER A 12 17.225 5.154 -13.886 1.00 0.00 H new ATOM 0 HB3 SER A 12 17.533 4.148 -15.288 1.00 0.00 H new ATOM 0 HG SER A 12 15.661 5.491 -15.565 1.00 0.00 H new ATOM 157 N THR A 13 16.349 1.531 -15.438 1.00 0.00 N ATOM 158 CA THR A 13 15.623 0.520 -16.199 1.00 0.00 C ATOM 159 C THR A 13 15.660 -0.829 -15.488 1.00 0.00 C ATOM 160 O THR A 13 14.688 -1.585 -15.521 1.00 0.00 O ATOM 161 CB THR A 13 16.211 0.388 -17.605 1.00 0.00 C ATOM 162 OG1 THR A 13 16.753 1.619 -18.040 1.00 0.00 O ATOM 163 CG2 THR A 13 15.197 -0.058 -18.637 1.00 0.00 C ATOM 0 H THR A 13 17.239 1.813 -15.849 1.00 0.00 H new ATOM 0 HA THR A 13 14.584 0.838 -16.278 1.00 0.00 H new ATOM 0 HB THR A 13 16.984 -0.376 -17.524 1.00 0.00 H new ATOM 0 HG1 THR A 13 17.125 1.513 -18.940 1.00 0.00 H new ATOM 0 HG21 THR A 13 15.679 -0.132 -19.612 1.00 0.00 H new ATOM 0 HG22 THR A 13 14.796 -1.032 -18.356 1.00 0.00 H new ATOM 0 HG23 THR A 13 14.385 0.668 -18.687 1.00 0.00 H new ATOM 171 N VAL A 14 16.784 -1.125 -14.841 1.00 0.00 N ATOM 172 CA VAL A 14 16.937 -2.383 -14.122 1.00 0.00 C ATOM 173 C VAL A 14 15.903 -2.503 -13.009 1.00 0.00 C ATOM 174 O VAL A 14 15.268 -3.544 -12.847 1.00 0.00 O ATOM 175 CB VAL A 14 18.349 -2.520 -13.517 1.00 0.00 C ATOM 176 CG1 VAL A 14 18.531 -3.891 -12.880 1.00 0.00 C ATOM 177 CG2 VAL A 14 19.410 -2.276 -14.580 1.00 0.00 C ATOM 0 H VAL A 14 17.599 -0.512 -14.801 1.00 0.00 H new ATOM 0 HA VAL A 14 16.785 -3.184 -14.846 1.00 0.00 H new ATOM 0 HB VAL A 14 18.463 -1.766 -12.738 1.00 0.00 H new ATOM 0 HG11 VAL A 14 19.534 -3.967 -12.459 1.00 0.00 H new ATOM 0 HG12 VAL A 14 17.794 -4.025 -12.088 1.00 0.00 H new ATOM 0 HG13 VAL A 14 18.396 -4.664 -13.636 1.00 0.00 H new ATOM 0 HG21 VAL A 14 20.400 -2.377 -14.136 1.00 0.00 H new ATOM 0 HG22 VAL A 14 19.296 -3.006 -15.382 1.00 0.00 H new ATOM 0 HG23 VAL A 14 19.295 -1.271 -14.985 1.00 0.00 H new ATOM 187 N LEU A 15 15.737 -1.427 -12.245 1.00 0.00 N ATOM 188 CA LEU A 15 14.773 -1.411 -11.152 1.00 0.00 C ATOM 189 C LEU A 15 13.354 -1.180 -11.673 1.00 0.00 C ATOM 190 O LEU A 15 12.388 -1.242 -10.912 1.00 0.00 O ATOM 191 CB LEU A 15 15.144 -0.326 -10.133 1.00 0.00 C ATOM 192 CG LEU A 15 15.663 -0.851 -8.792 1.00 0.00 C ATOM 193 CD1 LEU A 15 16.858 -1.766 -9.001 1.00 0.00 C ATOM 194 CD2 LEU A 15 16.031 0.307 -7.877 1.00 0.00 C ATOM 0 H LEU A 15 16.257 -0.557 -12.363 1.00 0.00 H new ATOM 0 HA LEU A 15 14.801 -2.384 -10.662 1.00 0.00 H new ATOM 0 HB2 LEU A 15 15.904 0.320 -10.572 1.00 0.00 H new ATOM 0 HB3 LEU A 15 14.267 0.294 -9.949 1.00 0.00 H new ATOM 0 HG LEU A 15 14.870 -1.429 -8.318 1.00 0.00 H new ATOM 0 HD11 LEU A 15 17.212 -2.128 -8.036 1.00 0.00 H new ATOM 0 HD12 LEU A 15 16.564 -2.613 -9.621 1.00 0.00 H new ATOM 0 HD13 LEU A 15 17.657 -1.214 -9.496 1.00 0.00 H new ATOM 0 HD21 LEU A 15 16.398 -0.082 -6.927 1.00 0.00 H new ATOM 0 HD22 LEU A 15 16.808 0.910 -8.347 1.00 0.00 H new ATOM 0 HD23 LEU A 15 15.151 0.925 -7.700 1.00 0.00 H new ATOM 206 N ALA A 16 13.234 -0.915 -12.973 1.00 0.00 N ATOM 207 CA ALA A 16 11.933 -0.680 -13.586 1.00 0.00 C ATOM 208 C ALA A 16 11.068 -1.937 -13.551 1.00 0.00 C ATOM 209 O ALA A 16 9.851 -1.865 -13.728 1.00 0.00 O ATOM 210 CB ALA A 16 12.106 -0.196 -15.018 1.00 0.00 C ATOM 0 H ALA A 16 14.022 -0.858 -13.619 1.00 0.00 H new ATOM 0 HA ALA A 16 11.424 0.092 -13.010 1.00 0.00 H new ATOM 0 HB1 ALA A 16 11.127 -0.024 -15.465 1.00 0.00 H new ATOM 0 HB2 ALA A 16 12.675 0.734 -15.022 1.00 0.00 H new ATOM 0 HB3 ALA A 16 12.641 -0.951 -15.595 1.00 0.00 H new ATOM 216 N ASN A 17 11.697 -3.085 -13.324 1.00 0.00 N ATOM 217 CA ASN A 17 10.977 -4.354 -13.269 1.00 0.00 C ATOM 218 C ASN A 17 10.399 -4.594 -11.876 1.00 0.00 C ATOM 219 O ASN A 17 9.482 -5.399 -11.708 1.00 0.00 O ATOM 220 CB ASN A 17 11.908 -5.507 -13.647 1.00 0.00 C ATOM 221 CG ASN A 17 11.213 -6.565 -14.478 1.00 0.00 C ATOM 222 OD1 ASN A 17 9.998 -6.524 -14.668 1.00 0.00 O ATOM 223 ND2 ASN A 17 11.986 -7.525 -14.978 1.00 0.00 N ATOM 0 H ASN A 17 12.703 -3.164 -13.175 1.00 0.00 H new ATOM 0 HA ASN A 17 10.154 -4.306 -13.982 1.00 0.00 H new ATOM 0 HB2 ASN A 17 12.760 -5.115 -14.203 1.00 0.00 H new ATOM 0 HB3 ASN A 17 12.303 -5.964 -12.739 1.00 0.00 H new ATOM 0 HD21 ASN A 17 11.575 -8.267 -15.545 1.00 0.00 H new ATOM 0 HD22 ASN A 17 12.989 -7.519 -14.795 1.00 0.00 H new ATOM 230 N LEU A 18 10.934 -3.891 -10.884 1.00 0.00 N ATOM 231 CA LEU A 18 10.465 -4.028 -9.512 1.00 0.00 C ATOM 232 C LEU A 18 9.732 -2.768 -9.066 1.00 0.00 C ATOM 233 O LEU A 18 9.987 -2.238 -7.986 1.00 0.00 O ATOM 234 CB LEU A 18 11.640 -4.315 -8.570 1.00 0.00 C ATOM 235 CG LEU A 18 12.653 -5.347 -9.076 1.00 0.00 C ATOM 236 CD1 LEU A 18 11.950 -6.612 -9.547 1.00 0.00 C ATOM 237 CD2 LEU A 18 13.506 -4.756 -10.193 1.00 0.00 C ATOM 0 H LEU A 18 11.693 -3.220 -11.005 1.00 0.00 H new ATOM 0 HA LEU A 18 9.770 -4.867 -9.472 1.00 0.00 H new ATOM 0 HB2 LEU A 18 12.166 -3.380 -8.377 1.00 0.00 H new ATOM 0 HB3 LEU A 18 11.242 -4.660 -7.615 1.00 0.00 H new ATOM 0 HG LEU A 18 13.309 -5.615 -8.248 1.00 0.00 H new ATOM 0 HD11 LEU A 18 12.690 -7.329 -9.901 1.00 0.00 H new ATOM 0 HD12 LEU A 18 11.391 -7.047 -8.719 1.00 0.00 H new ATOM 0 HD13 LEU A 18 11.265 -6.367 -10.358 1.00 0.00 H new ATOM 0 HD21 LEU A 18 14.220 -5.503 -10.540 1.00 0.00 H new ATOM 0 HD22 LEU A 18 12.864 -4.456 -11.021 1.00 0.00 H new ATOM 0 HD23 LEU A 18 14.045 -3.886 -9.818 1.00 0.00 H new ATOM 249 N THR A 19 8.817 -2.294 -9.904 1.00 0.00 N ATOM 250 CA THR A 19 8.043 -1.098 -9.597 1.00 0.00 C ATOM 251 C THR A 19 6.879 -1.408 -8.652 1.00 0.00 C ATOM 252 O THR A 19 6.680 -0.702 -7.663 1.00 0.00 O ATOM 253 CB THR A 19 7.516 -0.464 -10.886 1.00 0.00 C ATOM 254 OG1 THR A 19 8.589 -0.067 -11.722 1.00 0.00 O ATOM 255 CG2 THR A 19 6.647 0.755 -10.646 1.00 0.00 C ATOM 0 H THR A 19 8.593 -2.721 -10.803 1.00 0.00 H new ATOM 0 HA THR A 19 8.706 -0.394 -9.093 1.00 0.00 H new ATOM 0 HB THR A 19 6.908 -1.235 -11.359 1.00 0.00 H new ATOM 0 HG1 THR A 19 8.847 -0.815 -12.301 1.00 0.00 H new ATOM 0 HG21 THR A 19 6.308 1.154 -11.602 1.00 0.00 H new ATOM 0 HG22 THR A 19 5.784 0.473 -10.043 1.00 0.00 H new ATOM 0 HG23 THR A 19 7.224 1.515 -10.120 1.00 0.00 H new ATOM 263 N PRO A 20 6.081 -2.457 -8.939 1.00 0.00 N ATOM 264 CA PRO A 20 4.937 -2.819 -8.096 1.00 0.00 C ATOM 265 C PRO A 20 5.355 -3.327 -6.721 1.00 0.00 C ATOM 266 O PRO A 20 4.681 -3.073 -5.725 1.00 0.00 O ATOM 267 CB PRO A 20 4.234 -3.926 -8.887 1.00 0.00 C ATOM 268 CG PRO A 20 5.288 -4.493 -9.772 1.00 0.00 C ATOM 269 CD PRO A 20 6.222 -3.362 -10.098 1.00 0.00 C ATOM 0 HA PRO A 20 4.302 -1.956 -7.894 1.00 0.00 H new ATOM 0 HB2 PRO A 20 3.824 -4.687 -8.223 1.00 0.00 H new ATOM 0 HB3 PRO A 20 3.402 -3.529 -9.468 1.00 0.00 H new ATOM 0 HG2 PRO A 20 5.819 -5.304 -9.273 1.00 0.00 H new ATOM 0 HG3 PRO A 20 4.851 -4.909 -10.679 1.00 0.00 H new ATOM 0 HD2 PRO A 20 7.249 -3.709 -10.214 1.00 0.00 H new ATOM 0 HD3 PRO A 20 5.945 -2.868 -11.029 1.00 0.00 H new ATOM 277 N GLU A 21 6.472 -4.043 -6.670 1.00 0.00 N ATOM 278 CA GLU A 21 6.975 -4.581 -5.413 1.00 0.00 C ATOM 279 C GLU A 21 7.398 -3.456 -4.472 1.00 0.00 C ATOM 280 O GLU A 21 7.121 -3.498 -3.272 1.00 0.00 O ATOM 281 CB GLU A 21 8.156 -5.519 -5.670 1.00 0.00 C ATOM 282 CG GLU A 21 8.737 -6.129 -4.405 1.00 0.00 C ATOM 283 CD GLU A 21 10.111 -6.732 -4.628 1.00 0.00 C ATOM 284 OE1 GLU A 21 10.966 -6.052 -5.234 1.00 0.00 O ATOM 285 OE2 GLU A 21 10.331 -7.883 -4.198 1.00 0.00 O ATOM 0 H GLU A 21 7.046 -4.264 -7.484 1.00 0.00 H new ATOM 0 HA GLU A 21 6.171 -5.144 -4.940 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.834 -6.321 -6.335 1.00 0.00 H new ATOM 0 HB3 GLU A 21 8.940 -4.968 -6.191 1.00 0.00 H new ATOM 0 HG2 GLU A 21 8.801 -5.363 -3.633 1.00 0.00 H new ATOM 0 HG3 GLU A 21 8.062 -6.900 -4.034 1.00 0.00 H new ATOM 292 N GLN A 22 8.067 -2.451 -5.026 1.00 0.00 N ATOM 293 CA GLN A 22 8.528 -1.314 -4.239 1.00 0.00 C ATOM 294 C GLN A 22 7.376 -0.368 -3.915 1.00 0.00 C ATOM 295 O GLN A 22 7.258 0.118 -2.790 1.00 0.00 O ATOM 296 CB GLN A 22 9.625 -0.562 -4.994 1.00 0.00 C ATOM 297 CG GLN A 22 10.802 -1.439 -5.386 1.00 0.00 C ATOM 298 CD GLN A 22 11.669 -1.815 -4.203 1.00 0.00 C ATOM 299 OE1 GLN A 22 11.677 -1.129 -3.180 1.00 0.00 O ATOM 300 NE2 GLN A 22 12.407 -2.911 -4.336 1.00 0.00 N ATOM 0 H GLN A 22 8.302 -2.401 -6.017 1.00 0.00 H new ATOM 0 HA GLN A 22 8.933 -1.693 -3.301 1.00 0.00 H new ATOM 0 HB2 GLN A 22 9.197 -0.118 -5.893 1.00 0.00 H new ATOM 0 HB3 GLN A 22 9.985 0.259 -4.374 1.00 0.00 H new ATOM 0 HG2 GLN A 22 10.431 -2.346 -5.863 1.00 0.00 H new ATOM 0 HG3 GLN A 22 11.409 -0.916 -6.125 1.00 0.00 H new ATOM 0 HE21 GLN A 22 12.369 -3.449 -5.202 1.00 0.00 H new ATOM 0 HE22 GLN A 22 13.012 -3.215 -3.573 1.00 0.00 H new ATOM 309 N GLN A 23 6.531 -0.110 -4.910 1.00 0.00 N ATOM 310 CA GLN A 23 5.386 0.783 -4.733 1.00 0.00 C ATOM 311 C GLN A 23 4.636 0.468 -3.441 1.00 0.00 C ATOM 312 O GLN A 23 4.291 1.369 -2.679 1.00 0.00 O ATOM 313 CB GLN A 23 4.431 0.677 -5.923 1.00 0.00 C ATOM 314 CG GLN A 23 3.754 1.990 -6.276 1.00 0.00 C ATOM 315 CD GLN A 23 2.386 1.797 -6.900 1.00 0.00 C ATOM 316 OE1 GLN A 23 2.105 2.313 -7.981 1.00 0.00 O ATOM 317 NE2 GLN A 23 1.525 1.049 -6.218 1.00 0.00 N ATOM 0 H GLN A 23 6.616 -0.505 -5.846 1.00 0.00 H new ATOM 0 HA GLN A 23 5.769 1.802 -4.672 1.00 0.00 H new ATOM 0 HB2 GLN A 23 4.984 0.317 -6.791 1.00 0.00 H new ATOM 0 HB3 GLN A 23 3.667 -0.068 -5.700 1.00 0.00 H new ATOM 0 HG2 GLN A 23 3.655 2.596 -5.375 1.00 0.00 H new ATOM 0 HG3 GLN A 23 4.388 2.546 -6.967 1.00 0.00 H new ATOM 0 HE21 GLN A 23 1.800 0.640 -5.325 1.00 0.00 H new ATOM 0 HE22 GLN A 23 0.589 0.884 -6.588 1.00 0.00 H new ATOM 326 N LYS A 24 4.379 -0.812 -3.206 1.00 0.00 N ATOM 327 CA LYS A 24 3.662 -1.236 -2.009 1.00 0.00 C ATOM 328 C LYS A 24 4.422 -0.838 -0.747 1.00 0.00 C ATOM 329 O LYS A 24 3.836 -0.294 0.190 1.00 0.00 O ATOM 330 CB LYS A 24 3.434 -2.748 -2.030 1.00 0.00 C ATOM 331 CG LYS A 24 2.716 -3.235 -3.280 1.00 0.00 C ATOM 332 CD LYS A 24 1.204 -3.137 -3.135 1.00 0.00 C ATOM 333 CE LYS A 24 0.706 -1.719 -3.369 1.00 0.00 C ATOM 334 NZ LYS A 24 0.048 -1.148 -2.159 1.00 0.00 N ATOM 0 H LYS A 24 4.655 -1.573 -3.826 1.00 0.00 H new ATOM 0 HA LYS A 24 2.695 -0.733 -2.000 1.00 0.00 H new ATOM 0 HB2 LYS A 24 4.396 -3.254 -1.953 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.853 -3.032 -1.153 1.00 0.00 H new ATOM 0 HG2 LYS A 24 3.038 -2.645 -4.138 1.00 0.00 H new ATOM 0 HG3 LYS A 24 2.996 -4.269 -3.481 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.726 -3.812 -3.845 1.00 0.00 H new ATOM 0 HD3 LYS A 24 0.912 -3.465 -2.137 1.00 0.00 H new ATOM 0 HE2 LYS A 24 1.544 -1.084 -3.659 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.001 -1.716 -4.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.380 -0.230 -2.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.692 -1.799 -1.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 0.756 -1.016 -1.409 1.00 0.00 H new ATOM 348 N ASN A 25 5.726 -1.106 -0.724 1.00 0.00 N ATOM 349 CA ASN A 25 6.545 -0.764 0.434 1.00 0.00 C ATOM 350 C ASN A 25 6.481 0.735 0.711 1.00 0.00 C ATOM 351 O ASN A 25 6.125 1.157 1.811 1.00 0.00 O ATOM 352 CB ASN A 25 7.995 -1.199 0.212 1.00 0.00 C ATOM 353 CG ASN A 25 8.284 -2.569 0.792 1.00 0.00 C ATOM 354 OD1 ASN A 25 7.616 -3.550 0.462 1.00 0.00 O ATOM 355 ND2 ASN A 25 9.280 -2.643 1.667 1.00 0.00 N ATOM 0 H ASN A 25 6.233 -1.555 -1.487 1.00 0.00 H new ATOM 0 HA ASN A 25 6.151 -1.295 1.301 1.00 0.00 H new ATOM 0 HB2 ASN A 25 8.209 -1.208 -0.857 1.00 0.00 H new ATOM 0 HB3 ASN A 25 8.664 -0.467 0.665 1.00 0.00 H new ATOM 0 HD21 ASN A 25 9.518 -3.538 2.095 1.00 0.00 H new ATOM 0 HD22 ASN A 25 9.807 -1.805 1.912 1.00 0.00 H new ATOM 362 N VAL A 26 6.820 1.537 -0.296 1.00 0.00 N ATOM 363 CA VAL A 26 6.792 2.989 -0.152 1.00 0.00 C ATOM 364 C VAL A 26 5.393 3.463 0.233 1.00 0.00 C ATOM 365 O VAL A 26 5.234 4.318 1.105 1.00 0.00 O ATOM 366 CB VAL A 26 7.255 3.695 -1.451 1.00 0.00 C ATOM 367 CG1 VAL A 26 6.124 3.824 -2.464 1.00 0.00 C ATOM 368 CG2 VAL A 26 7.849 5.058 -1.132 1.00 0.00 C ATOM 0 H VAL A 26 7.116 1.208 -1.215 1.00 0.00 H new ATOM 0 HA VAL A 26 7.488 3.255 0.644 1.00 0.00 H new ATOM 0 HB VAL A 26 8.026 3.073 -1.905 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.493 4.325 -3.359 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.757 2.832 -2.728 1.00 0.00 H new ATOM 0 HG13 VAL A 26 5.312 4.408 -2.030 1.00 0.00 H new ATOM 0 HG21 VAL A 26 8.169 5.540 -2.055 1.00 0.00 H new ATOM 0 HG22 VAL A 26 7.098 5.676 -0.641 1.00 0.00 H new ATOM 0 HG23 VAL A 26 8.707 4.935 -0.470 1.00 0.00 H new ATOM 378 N LEU A 27 4.383 2.893 -0.422 1.00 0.00 N ATOM 379 CA LEU A 27 2.993 3.242 -0.154 1.00 0.00 C ATOM 380 C LEU A 27 2.717 3.287 1.345 1.00 0.00 C ATOM 381 O LEU A 27 2.212 4.282 1.857 1.00 0.00 O ATOM 382 CB LEU A 27 2.068 2.216 -0.815 1.00 0.00 C ATOM 383 CG LEU A 27 1.252 2.742 -1.997 1.00 0.00 C ATOM 384 CD1 LEU A 27 1.283 1.747 -3.150 1.00 0.00 C ATOM 385 CD2 LEU A 27 -0.180 3.026 -1.568 1.00 0.00 C ATOM 0 H LEU A 27 4.505 2.184 -1.145 1.00 0.00 H new ATOM 0 HA LEU A 27 2.803 4.232 -0.568 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.670 1.374 -1.156 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.380 1.832 -0.062 1.00 0.00 H new ATOM 0 HG LEU A 27 1.698 3.676 -2.340 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.698 2.137 -3.983 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.313 1.594 -3.471 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.860 0.797 -2.822 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.748 3.400 -2.420 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.639 2.108 -1.201 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.181 3.774 -0.775 1.00 0.00 H new ATOM 397 N GLY A 28 3.053 2.202 2.039 1.00 0.00 N ATOM 398 CA GLY A 28 2.830 2.133 3.472 1.00 0.00 C ATOM 399 C GLY A 28 3.594 3.193 4.242 1.00 0.00 C ATOM 400 O GLY A 28 3.022 3.889 5.080 1.00 0.00 O ATOM 0 H GLY A 28 3.477 1.368 1.632 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.764 2.242 3.674 1.00 0.00 H new ATOM 0 HA3 GLY A 28 3.124 1.147 3.833 1.00 0.00 H new ATOM 404 N GLU A 29 4.887 3.324 3.964 1.00 0.00 N ATOM 405 CA GLU A 29 5.710 4.315 4.647 1.00 0.00 C ATOM 406 C GLU A 29 5.114 5.710 4.474 1.00 0.00 C ATOM 407 O GLU A 29 4.843 6.406 5.453 1.00 0.00 O ATOM 408 CB GLU A 29 7.143 4.280 4.113 1.00 0.00 C ATOM 409 CG GLU A 29 8.017 3.236 4.788 1.00 0.00 C ATOM 410 CD GLU A 29 8.908 3.829 5.865 1.00 0.00 C ATOM 411 OE1 GLU A 29 8.383 4.554 6.737 1.00 0.00 O ATOM 412 OE2 GLU A 29 10.129 3.568 5.835 1.00 0.00 O ATOM 0 H GLU A 29 5.385 2.760 3.275 1.00 0.00 H new ATOM 0 HA GLU A 29 5.731 4.074 5.710 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.118 4.083 3.041 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.596 5.262 4.246 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.383 2.467 5.229 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.637 2.746 4.037 1.00 0.00 H new ATOM 419 N ARG A 30 4.906 6.104 3.224 1.00 0.00 N ATOM 420 CA ARG A 30 4.334 7.412 2.917 1.00 0.00 C ATOM 421 C ARG A 30 2.879 7.494 3.374 1.00 0.00 C ATOM 422 O ARG A 30 2.337 8.586 3.553 1.00 0.00 O ATOM 423 CB ARG A 30 4.421 7.689 1.417 1.00 0.00 C ATOM 424 CG ARG A 30 5.846 7.777 0.895 1.00 0.00 C ATOM 425 CD ARG A 30 6.236 9.214 0.585 1.00 0.00 C ATOM 426 NE ARG A 30 7.629 9.489 0.923 1.00 0.00 N ATOM 427 CZ ARG A 30 8.667 8.896 0.337 1.00 0.00 C ATOM 428 NH1 ARG A 30 8.476 8.015 -0.637 1.00 0.00 N ATOM 429 NH2 ARG A 30 9.900 9.194 0.718 1.00 0.00 N ATOM 0 H ARG A 30 5.125 5.537 2.405 1.00 0.00 H new ATOM 0 HA ARG A 30 4.909 8.165 3.456 1.00 0.00 H new ATOM 0 HB2 ARG A 30 3.894 6.900 0.879 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.905 8.624 1.198 1.00 0.00 H new ATOM 0 HG2 ARG A 30 6.532 7.364 1.634 1.00 0.00 H new ATOM 0 HG3 ARG A 30 5.944 7.170 -0.005 1.00 0.00 H new ATOM 0 HD2 ARG A 30 6.074 9.413 -0.474 1.00 0.00 H new ATOM 0 HD3 ARG A 30 5.588 9.893 1.139 1.00 0.00 H new ATOM 0 HE ARG A 30 7.819 10.177 1.652 1.00 0.00 H new ATOM 0 HH11 ARG A 30 7.529 7.788 -0.941 1.00 0.00 H new ATOM 0 HH12 ARG A 30 9.276 7.565 -1.081 1.00 0.00 H new ATOM 0 HH21 ARG A 30 10.054 9.877 1.460 1.00 0.00 H new ATOM 0 HH22 ARG A 30 10.696 8.740 0.270 1.00 0.00 H new ATOM 443 N LEU A 31 2.247 6.336 3.557 1.00 0.00 N ATOM 444 CA LEU A 31 0.860 6.280 3.988 1.00 0.00 C ATOM 445 C LEU A 31 0.725 6.733 5.438 1.00 0.00 C ATOM 446 O LEU A 31 0.024 7.697 5.742 1.00 0.00 O ATOM 447 CB LEU A 31 0.334 4.853 3.839 1.00 0.00 C ATOM 448 CG LEU A 31 -0.880 4.698 2.929 1.00 0.00 C ATOM 449 CD1 LEU A 31 -0.502 3.968 1.649 1.00 0.00 C ATOM 450 CD2 LEU A 31 -2.000 3.968 3.655 1.00 0.00 C ATOM 0 H LEU A 31 2.679 5.424 3.412 1.00 0.00 H new ATOM 0 HA LEU A 31 0.274 6.953 3.362 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.138 4.225 3.455 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.077 4.473 4.828 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.237 5.692 2.660 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.382 3.868 1.014 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.265 4.534 1.120 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.117 2.978 1.895 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.858 3.866 2.991 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.655 2.979 3.956 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.291 4.535 4.539 1.00 0.00 H new ATOM 462 N TYR A 32 1.408 6.020 6.323 1.00 0.00 N ATOM 463 CA TYR A 32 1.386 6.317 7.751 1.00 0.00 C ATOM 464 C TYR A 32 1.638 7.799 8.012 1.00 0.00 C ATOM 465 O TYR A 32 1.106 8.363 8.959 1.00 0.00 O ATOM 466 CB TYR A 32 2.451 5.468 8.454 1.00 0.00 C ATOM 467 CG TYR A 32 2.265 5.320 9.949 1.00 0.00 C ATOM 468 CD1 TYR A 32 2.736 6.287 10.827 1.00 0.00 C ATOM 469 CD2 TYR A 32 1.627 4.205 10.482 1.00 0.00 C ATOM 470 CE1 TYR A 32 2.581 6.147 12.194 1.00 0.00 C ATOM 471 CE2 TYR A 32 1.466 4.059 11.846 1.00 0.00 C ATOM 472 CZ TYR A 32 1.945 5.033 12.698 1.00 0.00 C ATOM 473 OH TYR A 32 1.787 4.891 14.058 1.00 0.00 O ATOM 0 H TYR A 32 1.992 5.222 6.074 1.00 0.00 H new ATOM 0 HA TYR A 32 0.399 6.076 8.145 1.00 0.00 H new ATOM 0 HB2 TYR A 32 2.459 4.475 8.004 1.00 0.00 H new ATOM 0 HB3 TYR A 32 3.429 5.911 8.267 1.00 0.00 H new ATOM 0 HD1 TYR A 32 3.232 7.163 10.436 1.00 0.00 H new ATOM 0 HD2 TYR A 32 1.251 3.440 9.818 1.00 0.00 H new ATOM 0 HE1 TYR A 32 2.956 6.907 12.863 1.00 0.00 H new ATOM 0 HE2 TYR A 32 0.968 3.187 12.244 1.00 0.00 H new ATOM 0 HH TYR A 32 1.318 4.052 14.247 1.00 0.00 H new ATOM 483 N ASN A 33 2.459 8.417 7.173 1.00 0.00 N ATOM 484 CA ASN A 33 2.790 9.833 7.323 1.00 0.00 C ATOM 485 C ASN A 33 1.591 10.721 7.041 1.00 0.00 C ATOM 486 O ASN A 33 1.385 11.732 7.712 1.00 0.00 O ATOM 487 CB ASN A 33 3.936 10.204 6.378 1.00 0.00 C ATOM 488 CG ASN A 33 4.196 11.700 6.323 1.00 0.00 C ATOM 489 OD1 ASN A 33 5.221 12.177 6.807 1.00 0.00 O ATOM 490 ND2 ASN A 33 3.264 12.449 5.735 1.00 0.00 N ATOM 0 H ASN A 33 2.910 7.961 6.380 1.00 0.00 H new ATOM 0 HA ASN A 33 3.095 9.995 8.357 1.00 0.00 H new ATOM 0 HB2 ASN A 33 4.844 9.694 6.699 1.00 0.00 H new ATOM 0 HB3 ASN A 33 3.705 9.843 5.376 1.00 0.00 H new ATOM 0 HD21 ASN A 33 3.386 13.460 5.673 1.00 0.00 H new ATOM 0 HD22 ASN A 33 2.428 12.012 5.347 1.00 0.00 H new ATOM 497 N HIS A 34 0.817 10.362 6.035 1.00 0.00 N ATOM 498 CA HIS A 34 -0.335 11.160 5.676 1.00 0.00 C ATOM 499 C HIS A 34 -1.335 11.186 6.820 1.00 0.00 C ATOM 500 O HIS A 34 -1.974 12.198 7.086 1.00 0.00 O ATOM 501 CB HIS A 34 -0.993 10.615 4.400 1.00 0.00 C ATOM 502 CG HIS A 34 -1.808 9.373 4.591 1.00 0.00 C ATOM 503 ND1 HIS A 34 -1.654 8.226 3.842 1.00 0.00 N ATOM 504 CD2 HIS A 34 -2.805 9.116 5.456 1.00 0.00 C ATOM 505 CE1 HIS A 34 -2.533 7.320 4.250 1.00 0.00 C ATOM 506 NE2 HIS A 34 -3.242 7.842 5.226 1.00 0.00 N ATOM 0 H HIS A 34 0.963 9.533 5.459 1.00 0.00 H new ATOM 0 HA HIS A 34 -0.002 12.180 5.481 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -1.633 11.391 3.979 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -0.214 10.411 3.666 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -3.192 9.796 6.201 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -2.647 6.324 3.849 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -3.995 7.373 5.729 1.00 0.00 H new ATOM 515 N ILE A 35 -1.494 10.035 7.448 1.00 0.00 N ATOM 516 CA ILE A 35 -2.448 9.860 8.543 1.00 0.00 C ATOM 517 C ILE A 35 -1.822 9.978 9.942 1.00 0.00 C ATOM 518 O ILE A 35 -2.537 10.223 10.912 1.00 0.00 O ATOM 519 CB ILE A 35 -3.185 8.505 8.415 1.00 0.00 C ATOM 520 CG1 ILE A 35 -4.014 8.202 9.666 1.00 0.00 C ATOM 521 CG2 ILE A 35 -2.201 7.379 8.138 1.00 0.00 C ATOM 522 CD1 ILE A 35 -5.271 7.412 9.373 1.00 0.00 C ATOM 0 H ILE A 35 -0.968 9.192 7.218 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.155 10.684 8.447 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.870 8.579 7.570 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.400 7.646 10.374 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.287 9.140 10.149 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.742 6.436 8.052 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.671 7.580 7.207 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.484 7.313 8.956 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.812 7.231 10.302 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.904 7.976 8.688 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.004 6.459 8.917 1.00 0.00 H new ATOM 534 N VAL A 36 -0.511 9.781 10.069 1.00 0.00 N ATOM 535 CA VAL A 36 0.121 9.858 11.390 1.00 0.00 C ATOM 536 C VAL A 36 -0.168 11.195 12.058 1.00 0.00 C ATOM 537 O VAL A 36 -0.600 11.242 13.210 1.00 0.00 O ATOM 538 CB VAL A 36 1.653 9.638 11.348 1.00 0.00 C ATOM 539 CG1 VAL A 36 2.338 10.706 10.515 1.00 0.00 C ATOM 540 CG2 VAL A 36 2.220 9.616 12.761 1.00 0.00 C ATOM 0 H VAL A 36 0.123 9.572 9.297 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.317 9.046 11.971 1.00 0.00 H new ATOM 0 HB VAL A 36 1.845 8.674 10.877 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.413 10.525 10.504 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.954 10.674 9.495 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.140 11.687 10.947 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.298 9.461 12.718 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.010 10.566 13.252 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.759 8.806 13.326 1.00 0.00 H new ATOM 550 N ALA A 37 0.066 12.280 11.332 1.00 0.00 N ATOM 551 CA ALA A 37 -0.176 13.613 11.857 1.00 0.00 C ATOM 552 C ALA A 37 -1.669 13.907 11.919 1.00 0.00 C ATOM 553 O ALA A 37 -2.126 14.684 12.758 1.00 0.00 O ATOM 554 CB ALA A 37 0.535 14.654 11.002 1.00 0.00 C ATOM 0 H ALA A 37 0.424 12.261 10.377 1.00 0.00 H new ATOM 0 HA ALA A 37 0.223 13.660 12.870 1.00 0.00 H new ATOM 0 HB1 ALA A 37 0.345 15.648 11.407 1.00 0.00 H new ATOM 0 HB2 ALA A 37 1.607 14.459 11.008 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.162 14.601 9.979 1.00 0.00 H new ATOM 560 N ILE A 38 -2.423 13.288 11.017 1.00 0.00 N ATOM 561 CA ILE A 38 -3.870 13.495 10.965 1.00 0.00 C ATOM 562 C ILE A 38 -4.613 12.620 11.978 1.00 0.00 C ATOM 563 O ILE A 38 -5.156 13.127 12.960 1.00 0.00 O ATOM 564 CB ILE A 38 -4.425 13.232 9.553 1.00 0.00 C ATOM 565 CG1 ILE A 38 -3.502 13.849 8.503 1.00 0.00 C ATOM 566 CG2 ILE A 38 -5.832 13.794 9.422 1.00 0.00 C ATOM 567 CD1 ILE A 38 -3.363 15.347 8.624 1.00 0.00 C ATOM 0 H ILE A 38 -2.061 12.642 10.315 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.040 14.540 11.225 1.00 0.00 H new ATOM 0 HB ILE A 38 -4.470 12.155 9.389 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -2.515 13.393 8.586 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -3.882 13.607 7.510 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -6.209 13.600 8.418 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.484 13.317 10.154 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -5.812 14.869 9.600 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -2.693 15.714 7.846 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -4.342 15.814 8.510 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.954 15.597 9.603 1.00 0.00 H new ATOM 579 N ASN A 39 -4.622 11.309 11.746 1.00 0.00 N ATOM 580 CA ASN A 39 -5.286 10.375 12.658 1.00 0.00 C ATOM 581 C ASN A 39 -4.314 9.311 13.151 1.00 0.00 C ATOM 582 O ASN A 39 -4.242 8.214 12.597 1.00 0.00 O ATOM 583 CB ASN A 39 -6.498 9.719 11.990 1.00 0.00 C ATOM 584 CG ASN A 39 -7.710 9.692 12.904 1.00 0.00 C ATOM 585 OD1 ASN A 39 -8.255 10.737 13.260 1.00 0.00 O ATOM 586 ND2 ASN A 39 -8.138 8.495 13.292 1.00 0.00 N ATOM 0 H ASN A 39 -4.180 10.869 10.939 1.00 0.00 H new ATOM 0 HA ASN A 39 -5.637 10.947 13.517 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -6.745 10.261 11.077 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -6.243 8.701 11.697 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -8.947 8.418 13.908 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -7.657 7.654 12.974 1.00 0.00 H new ATOM 593 N PRO A 40 -3.548 9.629 14.208 1.00 0.00 N ATOM 594 CA PRO A 40 -2.570 8.702 14.785 1.00 0.00 C ATOM 595 C PRO A 40 -3.185 7.358 15.155 1.00 0.00 C ATOM 596 O PRO A 40 -2.572 6.310 14.959 1.00 0.00 O ATOM 597 CB PRO A 40 -2.093 9.424 16.045 1.00 0.00 C ATOM 598 CG PRO A 40 -2.340 10.867 15.776 1.00 0.00 C ATOM 599 CD PRO A 40 -3.574 10.921 14.921 1.00 0.00 C ATOM 0 HA PRO A 40 -1.774 8.468 14.078 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -2.641 9.087 16.925 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -1.037 9.232 16.234 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -2.484 11.418 16.705 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -1.491 11.320 15.265 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -4.476 11.031 15.523 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -3.548 11.763 14.229 1.00 0.00 H new ATOM 607 N ALA A 41 -4.398 7.394 15.700 1.00 0.00 N ATOM 608 CA ALA A 41 -5.090 6.176 16.106 1.00 0.00 C ATOM 609 C ALA A 41 -5.757 5.484 14.918 1.00 0.00 C ATOM 610 O ALA A 41 -6.897 5.028 15.014 1.00 0.00 O ATOM 611 CB ALA A 41 -6.119 6.490 17.183 1.00 0.00 C ATOM 0 H ALA A 41 -4.921 8.253 15.870 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.346 5.490 16.512 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -6.629 5.573 17.478 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.618 6.921 18.050 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.848 7.201 16.794 1.00 0.00 H new ATOM 617 N ALA A 42 -5.039 5.398 13.802 1.00 0.00 N ATOM 618 CA ALA A 42 -5.558 4.752 12.608 1.00 0.00 C ATOM 619 C ALA A 42 -4.421 4.341 11.684 1.00 0.00 C ATOM 620 O ALA A 42 -4.435 3.246 11.128 1.00 0.00 O ATOM 621 CB ALA A 42 -6.531 5.664 11.882 1.00 0.00 C ATOM 0 H ALA A 42 -4.094 5.770 13.703 1.00 0.00 H new ATOM 0 HA ALA A 42 -6.095 3.854 12.914 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.907 5.160 10.992 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.365 5.905 12.541 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.021 6.582 11.591 1.00 0.00 H new ATOM 627 N ALA A 43 -3.440 5.232 11.525 1.00 0.00 N ATOM 628 CA ALA A 43 -2.283 4.970 10.668 1.00 0.00 C ATOM 629 C ALA A 43 -1.868 3.507 10.736 1.00 0.00 C ATOM 630 O ALA A 43 -1.760 2.832 9.714 1.00 0.00 O ATOM 631 CB ALA A 43 -1.120 5.864 11.069 1.00 0.00 C ATOM 0 H ALA A 43 -3.425 6.144 11.981 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.567 5.193 9.640 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.265 5.660 10.424 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.412 6.909 10.965 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.848 5.665 12.106 1.00 0.00 H new ATOM 637 N ALA A 44 -1.626 3.022 11.949 1.00 0.00 N ATOM 638 CA ALA A 44 -1.217 1.638 12.152 1.00 0.00 C ATOM 639 C ALA A 44 -2.147 0.666 11.432 1.00 0.00 C ATOM 640 O ALA A 44 -1.699 -0.331 10.871 1.00 0.00 O ATOM 641 CB ALA A 44 -1.155 1.320 13.640 1.00 0.00 C ATOM 0 H ALA A 44 -1.706 3.568 12.807 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.222 1.516 11.723 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.848 0.283 13.778 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.434 1.979 14.123 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.139 1.470 14.085 1.00 0.00 H new ATOM 647 N LYS A 45 -3.436 0.970 11.453 1.00 0.00 N ATOM 648 CA LYS A 45 -4.426 0.127 10.799 1.00 0.00 C ATOM 649 C LYS A 45 -4.529 0.462 9.320 1.00 0.00 C ATOM 650 O LYS A 45 -4.538 -0.424 8.468 1.00 0.00 O ATOM 651 CB LYS A 45 -5.790 0.302 11.463 1.00 0.00 C ATOM 652 CG LYS A 45 -5.789 -0.028 12.944 1.00 0.00 C ATOM 653 CD LYS A 45 -6.518 -1.329 13.221 1.00 0.00 C ATOM 654 CE LYS A 45 -6.835 -1.484 14.696 1.00 0.00 C ATOM 655 NZ LYS A 45 -7.551 -2.758 14.979 1.00 0.00 N ATOM 0 H LYS A 45 -3.821 1.794 11.915 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.107 -0.910 10.900 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.121 1.332 11.329 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -6.516 -0.335 10.957 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.762 -0.101 13.301 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.263 0.782 13.499 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.442 -1.360 12.644 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -5.907 -2.168 12.889 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.910 -1.452 15.271 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.445 -0.643 15.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.749 -2.826 15.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.446 -2.778 14.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.958 -3.561 14.687 1.00 0.00 H new ATOM 669 N VAL A 46 -4.601 1.751 9.023 1.00 0.00 N ATOM 670 CA VAL A 46 -4.702 2.213 7.648 1.00 0.00 C ATOM 671 C VAL A 46 -3.490 1.785 6.832 1.00 0.00 C ATOM 672 O VAL A 46 -3.630 1.229 5.748 1.00 0.00 O ATOM 673 CB VAL A 46 -4.829 3.741 7.590 1.00 0.00 C ATOM 674 CG1 VAL A 46 -5.082 4.204 6.166 1.00 0.00 C ATOM 675 CG2 VAL A 46 -5.933 4.212 8.522 1.00 0.00 C ATOM 0 H VAL A 46 -4.591 2.497 9.719 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.597 1.759 7.223 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.890 4.183 7.922 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -5.169 5.290 6.147 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -4.252 3.895 5.530 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.007 3.759 5.798 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.013 5.298 8.472 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.880 3.764 8.220 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -5.699 3.912 9.544 1.00 0.00 H new ATOM 685 N THR A 47 -2.304 2.059 7.358 1.00 0.00 N ATOM 686 CA THR A 47 -1.059 1.711 6.680 1.00 0.00 C ATOM 687 C THR A 47 -0.952 0.208 6.444 1.00 0.00 C ATOM 688 O THR A 47 -0.695 -0.241 5.328 1.00 0.00 O ATOM 689 CB THR A 47 0.140 2.186 7.505 1.00 0.00 C ATOM 690 OG1 THR A 47 -0.079 3.496 8.008 1.00 0.00 O ATOM 691 CG2 THR A 47 1.436 2.199 6.723 1.00 0.00 C ATOM 0 H THR A 47 -2.176 2.524 8.257 1.00 0.00 H new ATOM 0 HA THR A 47 -1.059 2.210 5.711 1.00 0.00 H new ATOM 0 HB THR A 47 0.234 1.466 8.318 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.402 3.442 8.932 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.245 2.545 7.366 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.658 1.192 6.370 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.339 2.869 5.869 1.00 0.00 H new ATOM 699 N GLY A 48 -1.134 -0.562 7.510 1.00 0.00 N ATOM 700 CA GLY A 48 -1.034 -2.006 7.415 1.00 0.00 C ATOM 701 C GLY A 48 -2.163 -2.613 6.620 1.00 0.00 C ATOM 702 O GLY A 48 -1.931 -3.341 5.652 1.00 0.00 O ATOM 0 H GLY A 48 -1.350 -0.210 8.443 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.084 -2.271 6.951 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -1.029 -2.433 8.418 1.00 0.00 H new ATOM 706 N MET A 49 -3.391 -2.317 7.024 1.00 0.00 N ATOM 707 CA MET A 49 -4.555 -2.847 6.330 1.00 0.00 C ATOM 708 C MET A 49 -4.674 -2.237 4.941 1.00 0.00 C ATOM 709 O MET A 49 -4.860 -2.958 3.967 1.00 0.00 O ATOM 710 CB MET A 49 -5.839 -2.586 7.123 1.00 0.00 C ATOM 711 CG MET A 49 -5.929 -3.362 8.427 1.00 0.00 C ATOM 712 SD MET A 49 -5.682 -5.135 8.201 1.00 0.00 S ATOM 713 CE MET A 49 -3.949 -5.291 8.626 1.00 0.00 C ATOM 0 H MET A 49 -3.605 -1.718 7.821 1.00 0.00 H new ATOM 0 HA MET A 49 -4.421 -3.925 6.236 1.00 0.00 H new ATOM 0 HB2 MET A 49 -5.909 -1.520 7.341 1.00 0.00 H new ATOM 0 HB3 MET A 49 -6.697 -2.841 6.500 1.00 0.00 H new ATOM 0 HG2 MET A 49 -5.182 -2.981 9.124 1.00 0.00 H new ATOM 0 HG3 MET A 49 -6.905 -3.190 8.881 1.00 0.00 H new ATOM 0 HE1 MET A 49 -3.406 -5.722 7.785 1.00 0.00 H new ATOM 0 HE2 MET A 49 -3.541 -4.307 8.856 1.00 0.00 H new ATOM 0 HE3 MET A 49 -3.845 -5.939 9.496 1.00 0.00 H new ATOM 723 N LEU A 50 -4.596 -0.900 4.880 1.00 0.00 N ATOM 724 CA LEU A 50 -4.721 -0.134 3.623 1.00 0.00 C ATOM 725 C LEU A 50 -5.400 -0.928 2.506 1.00 0.00 C ATOM 726 O LEU A 50 -6.501 -0.588 2.076 1.00 0.00 O ATOM 727 CB LEU A 50 -3.346 0.334 3.143 1.00 0.00 C ATOM 728 CG LEU A 50 -3.350 1.122 1.826 1.00 0.00 C ATOM 729 CD1 LEU A 50 -3.988 2.496 2.007 1.00 0.00 C ATOM 730 CD2 LEU A 50 -1.934 1.259 1.283 1.00 0.00 C ATOM 0 H LEU A 50 -4.444 -0.314 5.701 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.354 0.724 3.850 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.900 0.956 3.919 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.703 -0.538 3.025 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.949 0.567 1.104 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.976 3.031 1.057 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.018 2.377 2.344 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.426 3.063 2.749 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.955 1.820 0.349 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.315 1.786 2.009 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.516 0.269 1.102 1.00 0.00 H new ATOM 742 N LEU A 51 -4.735 -1.980 2.035 1.00 0.00 N ATOM 743 CA LEU A 51 -5.273 -2.810 0.967 1.00 0.00 C ATOM 744 C LEU A 51 -6.433 -3.678 1.450 1.00 0.00 C ATOM 745 O LEU A 51 -6.318 -4.902 1.521 1.00 0.00 O ATOM 746 CB LEU A 51 -4.161 -3.685 0.375 1.00 0.00 C ATOM 747 CG LEU A 51 -3.112 -2.926 -0.449 1.00 0.00 C ATOM 748 CD1 LEU A 51 -1.771 -2.896 0.271 1.00 0.00 C ATOM 749 CD2 LEU A 51 -2.962 -3.548 -1.830 1.00 0.00 C ATOM 0 H LEU A 51 -3.821 -2.276 2.379 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.663 -2.148 0.194 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.656 -4.205 1.189 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.616 -4.448 -0.257 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.456 -1.899 -0.568 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.045 -2.352 -0.334 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.886 -2.398 1.234 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.420 -3.916 0.429 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.214 -2.996 -2.399 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.647 -4.587 -1.729 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.918 -3.508 -2.353 1.00 0.00 H new ATOM 761 N GLU A 52 -7.557 -3.036 1.765 1.00 0.00 N ATOM 762 CA GLU A 52 -8.745 -3.748 2.222 1.00 0.00 C ATOM 763 C GLU A 52 -9.611 -4.151 1.029 1.00 0.00 C ATOM 764 O GLU A 52 -9.287 -3.838 -0.115 1.00 0.00 O ATOM 765 CB GLU A 52 -9.560 -2.874 3.181 1.00 0.00 C ATOM 766 CG GLU A 52 -8.947 -2.735 4.566 1.00 0.00 C ATOM 767 CD GLU A 52 -8.795 -4.067 5.276 1.00 0.00 C ATOM 768 OE1 GLU A 52 -7.786 -4.760 5.029 1.00 0.00 O ATOM 769 OE2 GLU A 52 -9.684 -4.415 6.082 1.00 0.00 O ATOM 0 H GLU A 52 -7.668 -2.023 1.711 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.424 -4.646 2.751 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.673 -1.882 2.744 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -10.560 -3.295 3.279 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -7.970 -2.260 4.480 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -9.570 -2.075 5.170 1.00 0.00 H new ATOM 776 N MET A 53 -10.701 -4.859 1.298 1.00 0.00 N ATOM 777 CA MET A 53 -11.590 -5.304 0.229 1.00 0.00 C ATOM 778 C MET A 53 -12.278 -4.126 -0.454 1.00 0.00 C ATOM 779 O MET A 53 -12.095 -3.899 -1.652 1.00 0.00 O ATOM 780 CB MET A 53 -12.641 -6.268 0.784 1.00 0.00 C ATOM 781 CG MET A 53 -12.074 -7.620 1.178 1.00 0.00 C ATOM 782 SD MET A 53 -11.234 -8.443 -0.189 1.00 0.00 S ATOM 783 CE MET A 53 -9.522 -8.072 0.188 1.00 0.00 C ATOM 0 H MET A 53 -10.990 -5.136 2.236 1.00 0.00 H new ATOM 0 HA MET A 53 -10.982 -5.818 -0.515 1.00 0.00 H new ATOM 0 HB2 MET A 53 -13.115 -5.814 1.654 1.00 0.00 H new ATOM 0 HB3 MET A 53 -13.420 -6.414 0.036 1.00 0.00 H new ATOM 0 HG2 MET A 53 -11.375 -7.490 2.004 1.00 0.00 H new ATOM 0 HG3 MET A 53 -12.881 -8.257 1.540 1.00 0.00 H new ATOM 0 HE1 MET A 53 -8.980 -7.876 -0.737 1.00 0.00 H new ATOM 0 HE2 MET A 53 -9.473 -7.193 0.831 1.00 0.00 H new ATOM 0 HE3 MET A 53 -9.070 -8.921 0.700 1.00 0.00 H new ATOM 793 N ASP A 54 -13.063 -3.370 0.308 1.00 0.00 N ATOM 794 CA ASP A 54 -13.764 -2.218 -0.241 1.00 0.00 C ATOM 795 C ASP A 54 -12.900 -0.965 -0.160 1.00 0.00 C ATOM 796 O ASP A 54 -12.376 -0.496 -1.172 1.00 0.00 O ATOM 797 CB ASP A 54 -15.099 -2.007 0.471 1.00 0.00 C ATOM 798 CG ASP A 54 -14.988 -2.030 1.983 1.00 0.00 C ATOM 799 OD1 ASP A 54 -14.647 -3.095 2.539 1.00 0.00 O ATOM 800 OD2 ASP A 54 -15.238 -0.980 2.612 1.00 0.00 O ATOM 0 H ASP A 54 -13.228 -3.534 1.301 1.00 0.00 H new ATOM 0 HA ASP A 54 -13.969 -2.416 -1.293 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -15.521 -1.051 0.160 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -15.797 -2.782 0.154 1.00 0.00 H new ATOM 805 N ASN A 55 -12.754 -0.424 1.044 1.00 0.00 N ATOM 806 CA ASN A 55 -11.954 0.774 1.257 1.00 0.00 C ATOM 807 C ASN A 55 -10.581 0.639 0.607 1.00 0.00 C ATOM 808 O ASN A 55 -9.955 1.634 0.241 1.00 0.00 O ATOM 809 CB ASN A 55 -11.792 1.030 2.755 1.00 0.00 C ATOM 810 CG ASN A 55 -11.500 2.482 3.062 1.00 0.00 C ATOM 811 OD1 ASN A 55 -12.294 3.162 3.710 1.00 0.00 O ATOM 812 ND2 ASN A 55 -10.356 2.961 2.596 1.00 0.00 N ATOM 0 H ASN A 55 -13.182 -0.799 1.891 1.00 0.00 H new ATOM 0 HA ASN A 55 -12.471 1.615 0.796 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -12.702 0.727 3.273 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -10.984 0.410 3.142 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -10.102 3.933 2.770 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -9.730 2.357 2.063 1.00 0.00 H new ATOM 819 N GLY A 56 -10.111 -0.597 0.478 1.00 0.00 N ATOM 820 CA GLY A 56 -8.812 -0.837 -0.114 1.00 0.00 C ATOM 821 C GLY A 56 -8.749 -0.467 -1.582 1.00 0.00 C ATOM 822 O GLY A 56 -7.942 0.373 -1.980 1.00 0.00 O ATOM 0 H GLY A 56 -10.609 -1.437 0.774 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -8.060 -0.266 0.431 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -8.557 -1.891 0.000 1.00 0.00 H new ATOM 826 N GLU A 57 -9.589 -1.104 -2.398 1.00 0.00 N ATOM 827 CA GLU A 57 -9.609 -0.838 -3.839 1.00 0.00 C ATOM 828 C GLU A 57 -9.397 0.641 -4.145 1.00 0.00 C ATOM 829 O GLU A 57 -8.546 0.999 -4.956 1.00 0.00 O ATOM 830 CB GLU A 57 -10.928 -1.297 -4.451 1.00 0.00 C ATOM 831 CG GLU A 57 -11.255 -2.757 -4.178 1.00 0.00 C ATOM 832 CD GLU A 57 -11.010 -3.648 -5.381 1.00 0.00 C ATOM 833 OE1 GLU A 57 -11.529 -3.331 -6.473 1.00 0.00 O ATOM 834 OE2 GLU A 57 -10.303 -4.666 -5.230 1.00 0.00 O ATOM 0 H GLU A 57 -10.262 -1.805 -2.089 1.00 0.00 H new ATOM 0 HA GLU A 57 -8.786 -1.401 -4.279 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -11.734 -0.675 -4.063 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -10.893 -1.137 -5.529 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -10.652 -3.110 -3.341 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -12.299 -2.841 -3.876 1.00 0.00 H new ATOM 841 N ILE A 58 -10.168 1.497 -3.487 1.00 0.00 N ATOM 842 CA ILE A 58 -10.048 2.937 -3.690 1.00 0.00 C ATOM 843 C ILE A 58 -8.594 3.373 -3.510 1.00 0.00 C ATOM 844 O ILE A 58 -8.051 4.121 -4.324 1.00 0.00 O ATOM 845 CB ILE A 58 -10.964 3.703 -2.709 1.00 0.00 C ATOM 846 CG1 ILE A 58 -12.432 3.455 -3.065 1.00 0.00 C ATOM 847 CG2 ILE A 58 -10.661 5.201 -2.709 1.00 0.00 C ATOM 848 CD1 ILE A 58 -13.110 2.451 -2.157 1.00 0.00 C ATOM 0 H ILE A 58 -10.880 1.222 -2.811 1.00 0.00 H new ATOM 0 HA ILE A 58 -10.363 3.172 -4.707 1.00 0.00 H new ATOM 0 HB ILE A 58 -10.769 3.329 -1.704 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -12.974 4.400 -3.019 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -12.494 3.102 -4.095 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -11.325 5.706 -2.007 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -9.625 5.363 -2.410 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -10.816 5.604 -3.710 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -14.147 2.323 -2.466 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -12.592 1.494 -2.221 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -13.079 2.812 -1.129 1.00 0.00 H new ATOM 860 N LEU A 59 -7.980 2.890 -2.432 1.00 0.00 N ATOM 861 CA LEU A 59 -6.589 3.202 -2.110 1.00 0.00 C ATOM 862 C LEU A 59 -5.707 3.247 -3.357 1.00 0.00 C ATOM 863 O LEU A 59 -4.785 4.058 -3.451 1.00 0.00 O ATOM 864 CB LEU A 59 -6.046 2.157 -1.134 1.00 0.00 C ATOM 865 CG LEU A 59 -5.356 0.953 -1.786 1.00 0.00 C ATOM 866 CD1 LEU A 59 -3.888 1.254 -2.048 1.00 0.00 C ATOM 867 CD2 LEU A 59 -5.502 -0.275 -0.914 1.00 0.00 C ATOM 0 H LEU A 59 -8.432 2.272 -1.758 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.567 4.192 -1.655 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.337 2.643 -0.463 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.870 1.795 -0.519 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.839 0.755 -2.743 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.416 0.387 -2.511 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.806 2.112 -2.716 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.389 1.479 -1.105 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.007 -1.121 -1.391 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.045 -0.088 0.058 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.560 -0.502 -0.780 1.00 0.00 H new ATOM 879 N ASN A 60 -5.996 2.360 -4.304 1.00 0.00 N ATOM 880 CA ASN A 60 -5.228 2.279 -5.547 1.00 0.00 C ATOM 881 C ASN A 60 -4.988 3.660 -6.156 1.00 0.00 C ATOM 882 O ASN A 60 -4.033 3.857 -6.907 1.00 0.00 O ATOM 883 CB ASN A 60 -5.949 1.383 -6.557 1.00 0.00 C ATOM 884 CG ASN A 60 -5.010 0.400 -7.227 1.00 0.00 C ATOM 885 OD1 ASN A 60 -3.916 0.762 -7.658 1.00 0.00 O ATOM 886 ND2 ASN A 60 -5.435 -0.855 -7.320 1.00 0.00 N ATOM 0 H ASN A 60 -6.758 1.685 -4.236 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.257 1.847 -5.305 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -6.744 0.835 -6.051 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -6.424 2.004 -7.317 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -4.847 -1.561 -7.762 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -6.350 -1.113 -6.949 1.00 0.00 H new ATOM 893 N LEU A 61 -5.864 4.608 -5.839 1.00 0.00 N ATOM 894 CA LEU A 61 -5.747 5.962 -6.369 1.00 0.00 C ATOM 895 C LEU A 61 -5.309 6.954 -5.292 1.00 0.00 C ATOM 896 O LEU A 61 -6.000 7.941 -5.040 1.00 0.00 O ATOM 897 CB LEU A 61 -7.084 6.408 -6.964 1.00 0.00 C ATOM 898 CG LEU A 61 -7.871 5.316 -7.702 1.00 0.00 C ATOM 899 CD1 LEU A 61 -9.283 5.201 -7.143 1.00 0.00 C ATOM 900 CD2 LEU A 61 -7.906 5.597 -9.198 1.00 0.00 C ATOM 0 H LEU A 61 -6.661 4.464 -5.219 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.983 5.948 -7.146 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -7.707 6.802 -6.161 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.899 7.230 -7.656 1.00 0.00 H new ATOM 0 HG LEU A 61 -7.363 4.364 -7.546 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -9.824 4.422 -7.679 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -9.236 4.947 -6.084 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -9.801 6.152 -7.265 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -8.468 4.811 -9.703 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -8.386 6.559 -9.376 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.888 5.622 -9.587 1.00 0.00 H new ATOM 912 N LEU A 62 -4.168 6.684 -4.644 1.00 0.00 N ATOM 913 CA LEU A 62 -3.651 7.554 -3.580 1.00 0.00 C ATOM 914 C LEU A 62 -4.042 9.020 -3.795 1.00 0.00 C ATOM 915 O LEU A 62 -3.381 9.753 -4.531 1.00 0.00 O ATOM 916 CB LEU A 62 -2.128 7.426 -3.489 1.00 0.00 C ATOM 917 CG LEU A 62 -1.625 6.079 -2.973 1.00 0.00 C ATOM 918 CD1 LEU A 62 -0.284 5.737 -3.597 1.00 0.00 C ATOM 919 CD2 LEU A 62 -1.520 6.089 -1.456 1.00 0.00 C ATOM 0 H LEU A 62 -3.585 5.870 -4.838 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.102 7.228 -2.643 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.704 7.601 -4.478 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.750 8.213 -2.836 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.345 5.313 -3.260 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.059 4.774 -3.218 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.390 5.683 -4.681 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.443 6.507 -3.341 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.160 5.120 -1.110 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.823 6.867 -1.145 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.501 6.287 -1.025 1.00 0.00 H new ATOM 931 N ASP A 63 -5.130 9.430 -3.147 1.00 0.00 N ATOM 932 CA ASP A 63 -5.631 10.797 -3.259 1.00 0.00 C ATOM 933 C ASP A 63 -5.561 11.518 -1.918 1.00 0.00 C ATOM 934 O ASP A 63 -5.518 10.887 -0.867 1.00 0.00 O ATOM 935 CB ASP A 63 -7.076 10.780 -3.763 1.00 0.00 C ATOM 936 CG ASP A 63 -7.370 11.907 -4.732 1.00 0.00 C ATOM 937 OD1 ASP A 63 -6.456 12.293 -5.492 1.00 0.00 O ATOM 938 OD2 ASP A 63 -8.516 12.405 -4.734 1.00 0.00 O ATOM 0 H ASP A 63 -5.684 8.831 -2.535 1.00 0.00 H new ATOM 0 HA ASP A 63 -5.002 11.334 -3.969 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -7.275 9.826 -4.251 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -7.754 10.851 -2.913 1.00 0.00 H new ATOM 943 N THR A 64 -5.562 12.844 -1.950 1.00 0.00 N ATOM 944 CA THR A 64 -5.507 13.618 -0.717 1.00 0.00 C ATOM 945 C THR A 64 -6.850 13.569 0.008 1.00 0.00 C ATOM 946 O THR A 64 -6.897 13.300 1.205 1.00 0.00 O ATOM 947 CB THR A 64 -5.109 15.068 -0.999 1.00 0.00 C ATOM 948 OG1 THR A 64 -4.213 15.138 -2.094 1.00 0.00 O ATOM 949 CG2 THR A 64 -4.448 15.742 0.186 1.00 0.00 C ATOM 0 H THR A 64 -5.600 13.400 -2.804 1.00 0.00 H new ATOM 0 HA THR A 64 -4.747 13.173 -0.074 1.00 0.00 H new ATOM 0 HB THR A 64 -6.040 15.590 -1.222 1.00 0.00 H new ATOM 0 HG1 THR A 64 -3.972 16.073 -2.260 1.00 0.00 H new ATOM 0 HG21 THR A 64 -4.189 16.768 -0.077 1.00 0.00 H new ATOM 0 HG22 THR A 64 -5.135 15.746 1.032 1.00 0.00 H new ATOM 0 HG23 THR A 64 -3.543 15.197 0.456 1.00 0.00 H new ATOM 957 N PRO A 65 -7.965 13.816 -0.702 1.00 0.00 N ATOM 958 CA PRO A 65 -9.293 13.779 -0.097 1.00 0.00 C ATOM 959 C PRO A 65 -9.791 12.349 0.128 1.00 0.00 C ATOM 960 O PRO A 65 -9.904 11.895 1.266 1.00 0.00 O ATOM 961 CB PRO A 65 -10.176 14.512 -1.108 1.00 0.00 C ATOM 962 CG PRO A 65 -9.475 14.397 -2.424 1.00 0.00 C ATOM 963 CD PRO A 65 -8.015 14.140 -2.140 1.00 0.00 C ATOM 0 HA PRO A 65 -9.301 14.237 0.892 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -11.169 14.066 -1.154 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -10.308 15.557 -0.826 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -9.899 13.585 -3.015 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -9.597 15.311 -3.005 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -7.633 13.318 -2.745 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -7.407 15.015 -2.370 1.00 0.00 H new ATOM 971 N GLY A 66 -10.095 11.652 -0.964 1.00 0.00 N ATOM 972 CA GLY A 66 -10.590 10.286 -0.881 1.00 0.00 C ATOM 973 C GLY A 66 -9.799 9.407 0.067 1.00 0.00 C ATOM 974 O GLY A 66 -10.346 8.883 1.039 1.00 0.00 O ATOM 0 H GLY A 66 -10.006 12.012 -1.914 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -11.632 10.305 -0.560 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -10.571 9.841 -1.876 1.00 0.00 H new ATOM 978 N LEU A 67 -8.508 9.239 -0.213 1.00 0.00 N ATOM 979 CA LEU A 67 -7.640 8.416 0.621 1.00 0.00 C ATOM 980 C LEU A 67 -7.746 8.819 2.089 1.00 0.00 C ATOM 981 O LEU A 67 -8.291 8.079 2.904 1.00 0.00 O ATOM 982 CB LEU A 67 -6.203 8.558 0.136 1.00 0.00 C ATOM 983 CG LEU A 67 -5.549 7.272 -0.366 1.00 0.00 C ATOM 984 CD1 LEU A 67 -5.217 6.348 0.791 1.00 0.00 C ATOM 985 CD2 LEU A 67 -6.456 6.577 -1.371 1.00 0.00 C ATOM 0 H LEU A 67 -8.041 9.664 -1.014 1.00 0.00 H new ATOM 0 HA LEU A 67 -7.955 7.376 0.540 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.180 9.294 -0.667 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -5.600 8.957 0.952 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.615 7.531 -0.865 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.752 5.439 0.409 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.528 6.849 1.471 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -6.132 6.091 1.325 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.978 5.662 -1.721 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.405 6.331 -0.895 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.635 7.239 -2.218 1.00 0.00 H new ATOM 997 N LEU A 68 -7.221 9.994 2.422 1.00 0.00 N ATOM 998 CA LEU A 68 -7.251 10.483 3.800 1.00 0.00 C ATOM 999 C LEU A 68 -8.649 10.368 4.410 1.00 0.00 C ATOM 1000 O LEU A 68 -8.789 10.252 5.628 1.00 0.00 O ATOM 1001 CB LEU A 68 -6.766 11.930 3.871 1.00 0.00 C ATOM 1002 CG LEU A 68 -5.389 12.115 4.505 1.00 0.00 C ATOM 1003 CD1 LEU A 68 -4.292 11.825 3.491 1.00 0.00 C ATOM 1004 CD2 LEU A 68 -5.248 13.521 5.065 1.00 0.00 C ATOM 0 H LEU A 68 -6.770 10.625 1.760 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.577 9.854 4.382 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.743 12.341 2.862 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -7.492 12.514 4.437 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.287 11.407 5.328 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.318 11.962 3.960 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.384 10.798 3.139 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.387 12.508 2.647 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -4.261 13.637 5.513 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.369 14.247 4.261 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.013 13.689 5.823 1.00 0.00 H new ATOM 1016 N ASP A 69 -9.678 10.393 3.569 1.00 0.00 N ATOM 1017 CA ASP A 69 -11.045 10.279 4.059 1.00 0.00 C ATOM 1018 C ASP A 69 -11.377 8.823 4.357 1.00 0.00 C ATOM 1019 O ASP A 69 -11.696 8.474 5.487 1.00 0.00 O ATOM 1020 CB ASP A 69 -12.042 10.853 3.051 1.00 0.00 C ATOM 1021 CG ASP A 69 -13.282 11.408 3.725 1.00 0.00 C ATOM 1022 OD1 ASP A 69 -13.138 12.100 4.755 1.00 0.00 O ATOM 1023 OD2 ASP A 69 -14.397 11.153 3.224 1.00 0.00 O ATOM 0 H ASP A 69 -9.593 10.490 2.557 1.00 0.00 H new ATOM 0 HA ASP A 69 -11.124 10.857 4.979 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -11.560 11.642 2.475 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -12.332 10.074 2.345 1.00 0.00 H new ATOM 1028 N ALA A 70 -11.293 7.977 3.337 1.00 0.00 N ATOM 1029 CA ALA A 70 -11.579 6.555 3.499 1.00 0.00 C ATOM 1030 C ALA A 70 -10.455 5.831 4.242 1.00 0.00 C ATOM 1031 O ALA A 70 -10.569 4.646 4.551 1.00 0.00 O ATOM 1032 CB ALA A 70 -11.817 5.910 2.143 1.00 0.00 C ATOM 0 H ALA A 70 -11.030 8.250 2.390 1.00 0.00 H new ATOM 0 HA ALA A 70 -12.482 6.465 4.102 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -12.029 4.849 2.277 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -12.665 6.391 1.655 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -10.928 6.027 1.524 1.00 0.00 H new ATOM 1038 N LYS A 71 -9.373 6.545 4.531 1.00 0.00 N ATOM 1039 CA LYS A 71 -8.240 5.963 5.239 1.00 0.00 C ATOM 1040 C LYS A 71 -8.457 6.026 6.747 1.00 0.00 C ATOM 1041 O LYS A 71 -8.320 5.022 7.446 1.00 0.00 O ATOM 1042 CB LYS A 71 -6.948 6.698 4.864 1.00 0.00 C ATOM 1043 CG LYS A 71 -6.291 6.213 3.569 1.00 0.00 C ATOM 1044 CD LYS A 71 -6.406 4.707 3.379 1.00 0.00 C ATOM 1045 CE LYS A 71 -7.613 4.343 2.528 1.00 0.00 C ATOM 1046 NZ LYS A 71 -7.537 2.941 2.034 1.00 0.00 N ATOM 0 H LYS A 71 -9.257 7.528 4.286 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.152 4.917 4.945 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -7.165 7.762 4.769 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -6.234 6.590 5.681 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -6.753 6.718 2.721 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -5.238 6.495 3.573 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -5.499 4.329 2.907 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -6.486 4.222 4.352 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.523 4.474 3.113 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -7.679 5.024 1.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -8.282 2.782 1.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -6.606 2.776 1.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -7.670 2.285 2.830 1.00 0.00 H new ATOM 1060 N VAL A 72 -8.805 7.210 7.237 1.00 0.00 N ATOM 1061 CA VAL A 72 -9.051 7.409 8.663 1.00 0.00 C ATOM 1062 C VAL A 72 -10.295 6.660 9.120 1.00 0.00 C ATOM 1063 O VAL A 72 -10.316 6.079 10.202 1.00 0.00 O ATOM 1064 CB VAL A 72 -9.206 8.908 8.992 1.00 0.00 C ATOM 1065 CG1 VAL A 72 -7.966 9.679 8.558 1.00 0.00 C ATOM 1066 CG2 VAL A 72 -10.457 9.479 8.334 1.00 0.00 C ATOM 0 H VAL A 72 -8.924 8.048 6.668 1.00 0.00 H new ATOM 0 HA VAL A 72 -8.187 7.013 9.197 1.00 0.00 H new ATOM 0 HB VAL A 72 -9.315 9.014 10.071 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -8.092 10.735 8.797 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -7.093 9.290 9.082 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -7.824 9.565 7.483 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -10.546 10.537 8.579 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -10.385 9.362 7.253 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -11.335 8.946 8.699 1.00 0.00 H new ATOM 1076 N GLN A 73 -11.328 6.681 8.288 1.00 0.00 N ATOM 1077 CA GLN A 73 -12.582 6.010 8.604 1.00 0.00 C ATOM 1078 C GLN A 73 -12.385 4.503 8.738 1.00 0.00 C ATOM 1079 O GLN A 73 -12.784 3.906 9.734 1.00 0.00 O ATOM 1080 CB GLN A 73 -13.622 6.308 7.526 1.00 0.00 C ATOM 1081 CG GLN A 73 -13.773 7.789 7.227 1.00 0.00 C ATOM 1082 CD GLN A 73 -14.186 8.588 8.446 1.00 0.00 C ATOM 1083 OE1 GLN A 73 -14.927 8.100 9.301 1.00 0.00 O ATOM 1084 NE2 GLN A 73 -13.709 9.824 8.534 1.00 0.00 N ATOM 0 H GLN A 73 -11.322 7.157 7.386 1.00 0.00 H new ATOM 0 HA GLN A 73 -12.936 6.391 9.562 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -13.345 5.786 6.610 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -14.586 5.908 7.841 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -12.829 8.177 6.845 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -14.515 7.924 6.440 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -13.098 10.188 7.803 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -13.953 10.409 9.333 1.00 0.00 H new ATOM 1093 N GLU A 74 -11.772 3.890 7.732 1.00 0.00 N ATOM 1094 CA GLU A 74 -11.533 2.448 7.746 1.00 0.00 C ATOM 1095 C GLU A 74 -10.857 2.005 9.042 1.00 0.00 C ATOM 1096 O GLU A 74 -11.198 0.969 9.608 1.00 0.00 O ATOM 1097 CB GLU A 74 -10.674 2.039 6.551 1.00 0.00 C ATOM 1098 CG GLU A 74 -10.371 0.549 6.501 1.00 0.00 C ATOM 1099 CD GLU A 74 -8.885 0.260 6.398 1.00 0.00 C ATOM 1100 OE1 GLU A 74 -8.205 0.257 7.445 1.00 0.00 O ATOM 1101 OE2 GLU A 74 -8.402 0.037 5.267 1.00 0.00 O ATOM 0 H GLU A 74 -11.431 4.366 6.897 1.00 0.00 H new ATOM 0 HA GLU A 74 -12.502 1.954 7.681 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -11.183 2.329 5.632 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -9.735 2.591 6.583 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -10.769 0.071 7.396 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.884 0.106 5.647 1.00 0.00 H new ATOM 1108 N ALA A 75 -9.891 2.795 9.502 1.00 0.00 N ATOM 1109 CA ALA A 75 -9.159 2.480 10.724 1.00 0.00 C ATOM 1110 C ALA A 75 -9.942 2.891 11.964 1.00 0.00 C ATOM 1111 O ALA A 75 -9.935 2.192 12.977 1.00 0.00 O ATOM 1112 CB ALA A 75 -7.799 3.162 10.714 1.00 0.00 C ATOM 0 H ALA A 75 -9.597 3.659 9.046 1.00 0.00 H new ATOM 0 HA ALA A 75 -9.018 1.400 10.759 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.263 2.919 11.631 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -7.224 2.815 9.855 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.934 4.242 10.648 1.00 0.00 H new ATOM 1118 N LEU A 76 -10.608 4.035 11.881 1.00 0.00 N ATOM 1119 CA LEU A 76 -11.389 4.544 12.999 1.00 0.00 C ATOM 1120 C LEU A 76 -12.636 3.693 13.227 1.00 0.00 C ATOM 1121 O LEU A 76 -13.051 3.476 14.365 1.00 0.00 O ATOM 1122 CB LEU A 76 -11.773 6.003 12.751 1.00 0.00 C ATOM 1123 CG LEU A 76 -10.794 7.032 13.317 1.00 0.00 C ATOM 1124 CD1 LEU A 76 -11.251 8.446 12.988 1.00 0.00 C ATOM 1125 CD2 LEU A 76 -10.637 6.855 14.821 1.00 0.00 C ATOM 0 H LEU A 76 -10.623 4.628 11.051 1.00 0.00 H new ATOM 0 HA LEU A 76 -10.777 4.490 13.899 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -11.863 6.162 11.676 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -12.757 6.183 13.184 1.00 0.00 H new ATOM 0 HG LEU A 76 -9.822 6.870 12.851 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -10.541 9.163 13.400 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -11.305 8.569 11.906 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -12.235 8.620 13.422 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -9.936 7.597 15.203 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -11.604 6.986 15.306 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -10.258 5.855 15.032 1.00 0.00 H new ATOM 1137 N GLU A 77 -13.228 3.210 12.138 1.00 0.00 N ATOM 1138 CA GLU A 77 -14.424 2.383 12.220 1.00 0.00 C ATOM 1139 C GLU A 77 -14.062 0.945 12.577 1.00 0.00 C ATOM 1140 O GLU A 77 -14.766 0.289 13.343 1.00 0.00 O ATOM 1141 CB GLU A 77 -15.189 2.419 10.893 1.00 0.00 C ATOM 1142 CG GLU A 77 -16.650 2.808 11.043 1.00 0.00 C ATOM 1143 CD GLU A 77 -16.827 4.242 11.503 1.00 0.00 C ATOM 1144 OE1 GLU A 77 -16.610 4.510 12.705 1.00 0.00 O ATOM 1145 OE2 GLU A 77 -17.181 5.096 10.666 1.00 0.00 O ATOM 0 H GLU A 77 -12.897 3.378 11.188 1.00 0.00 H new ATOM 0 HA GLU A 77 -15.063 2.785 13.006 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -14.701 3.125 10.221 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -15.130 1.438 10.422 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -17.159 2.671 10.089 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -17.129 2.139 11.758 1.00 0.00 H new ATOM 1152 N VAL A 78 -12.953 0.462 12.018 1.00 0.00 N ATOM 1153 CA VAL A 78 -12.498 -0.897 12.287 1.00 0.00 C ATOM 1154 C VAL A 78 -11.931 -1.022 13.705 1.00 0.00 C ATOM 1155 O VAL A 78 -11.642 -2.125 14.171 1.00 0.00 O ATOM 1156 CB VAL A 78 -11.442 -1.358 11.255 1.00 0.00 C ATOM 1157 CG1 VAL A 78 -10.090 -0.711 11.516 1.00 0.00 C ATOM 1158 CG2 VAL A 78 -11.325 -2.874 11.253 1.00 0.00 C ATOM 0 H VAL A 78 -12.358 0.990 11.380 1.00 0.00 H new ATOM 0 HA VAL A 78 -13.369 -1.547 12.200 1.00 0.00 H new ATOM 0 HB VAL A 78 -11.775 -1.036 10.269 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -9.372 -1.057 10.773 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.187 0.373 11.451 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -9.742 -0.985 12.512 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -10.578 -3.180 10.521 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -11.025 -3.217 12.243 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -12.288 -3.313 10.993 1.00 0.00 H new ATOM 1168 N LEU A 79 -11.791 0.115 14.387 1.00 0.00 N ATOM 1169 CA LEU A 79 -11.277 0.135 15.752 1.00 0.00 C ATOM 1170 C LEU A 79 -12.223 -0.615 16.685 1.00 0.00 C ATOM 1171 O LEU A 79 -11.889 -1.680 17.198 1.00 0.00 O ATOM 1172 CB LEU A 79 -11.106 1.579 16.229 1.00 0.00 C ATOM 1173 CG LEU A 79 -9.663 2.008 16.495 1.00 0.00 C ATOM 1174 CD1 LEU A 79 -9.488 3.495 16.216 1.00 0.00 C ATOM 1175 CD2 LEU A 79 -9.266 1.682 17.928 1.00 0.00 C ATOM 0 H LEU A 79 -12.027 1.034 14.014 1.00 0.00 H new ATOM 0 HA LEU A 79 -10.306 -0.360 15.766 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -11.535 2.246 15.481 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -11.683 1.714 17.144 1.00 0.00 H new ATOM 0 HG LEU A 79 -9.009 1.453 15.822 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -8.455 3.783 16.411 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -9.732 3.701 15.174 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -10.152 4.067 16.864 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -8.236 1.994 18.100 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -9.925 2.210 18.617 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -9.352 0.608 18.094 1.00 0.00 H new ATOM 1187 N ASN A 80 -13.413 -0.050 16.885 1.00 0.00 N ATOM 1188 CA ASN A 80 -14.420 -0.669 17.742 1.00 0.00 C ATOM 1189 C ASN A 80 -15.183 -1.760 16.994 1.00 0.00 C ATOM 1190 O ASN A 80 -16.244 -2.199 17.438 1.00 0.00 O ATOM 1191 CB ASN A 80 -15.396 0.384 18.266 1.00 0.00 C ATOM 1192 CG ASN A 80 -14.702 1.497 19.024 1.00 0.00 C ATOM 1193 OD1 ASN A 80 -14.183 1.287 20.122 1.00 0.00 O ATOM 1194 ND2 ASN A 80 -14.690 2.692 18.444 1.00 0.00 N ATOM 0 H ASN A 80 -13.702 0.834 16.466 1.00 0.00 H new ATOM 0 HA ASN A 80 -13.904 -1.127 18.586 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -15.949 0.810 17.429 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -16.125 -0.095 18.919 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -14.239 3.480 18.909 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -15.132 2.822 17.534 1.00 0.00 H new ATOM 1201 N ARG A 81 -14.635 -2.205 15.864 1.00 0.00 N ATOM 1202 CA ARG A 81 -15.266 -3.251 15.072 1.00 0.00 C ATOM 1203 C ARG A 81 -15.117 -4.610 15.753 1.00 0.00 C ATOM 1204 O ARG A 81 -15.189 -5.652 15.101 1.00 0.00 O ATOM 1205 CB ARG A 81 -14.660 -3.296 13.669 1.00 0.00 C ATOM 1206 CG ARG A 81 -15.579 -2.739 12.594 1.00 0.00 C ATOM 1207 CD ARG A 81 -16.897 -3.494 12.544 1.00 0.00 C ATOM 1208 NE ARG A 81 -17.515 -3.434 11.220 1.00 0.00 N ATOM 1209 CZ ARG A 81 -18.599 -2.716 10.929 1.00 0.00 C ATOM 1210 NH1 ARG A 81 -19.203 -1.988 11.861 1.00 0.00 N ATOM 1211 NH2 ARG A 81 -19.081 -2.723 9.692 1.00 0.00 N ATOM 0 H ARG A 81 -13.757 -1.856 15.480 1.00 0.00 H new ATOM 0 HA ARG A 81 -16.328 -3.021 14.989 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -13.727 -2.732 13.666 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -14.409 -4.328 13.423 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -15.770 -1.684 12.788 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -15.086 -2.801 11.624 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -16.728 -4.535 12.818 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -17.582 -3.077 13.282 1.00 0.00 H new ATOM 0 HE ARG A 81 -17.088 -3.978 10.470 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -18.838 -1.974 12.813 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -20.032 -1.443 11.625 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -18.622 -3.277 8.969 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -19.911 -2.175 9.465 1.00 0.00 H new ATOM 1225 N HIS A 82 -14.922 -4.592 17.070 1.00 0.00 N ATOM 1226 CA HIS A 82 -14.778 -5.814 17.845 1.00 0.00 C ATOM 1227 C HIS A 82 -16.132 -6.505 18.030 1.00 0.00 C ATOM 1228 O HIS A 82 -16.230 -7.525 18.711 1.00 0.00 O ATOM 1229 CB HIS A 82 -14.154 -5.489 19.204 1.00 0.00 C ATOM 1230 CG HIS A 82 -12.833 -6.162 19.429 1.00 0.00 C ATOM 1231 ND1 HIS A 82 -12.327 -6.434 20.683 1.00 0.00 N ATOM 1232 CD2 HIS A 82 -11.915 -6.623 18.546 1.00 0.00 C ATOM 1233 CE1 HIS A 82 -11.156 -7.032 20.562 1.00 0.00 C ATOM 1234 NE2 HIS A 82 -10.882 -7.158 19.277 1.00 0.00 N ATOM 0 H HIS A 82 -14.860 -3.737 17.622 1.00 0.00 H new ATOM 0 HA HIS A 82 -14.124 -6.498 17.304 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -14.022 -4.410 19.286 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -14.844 -5.787 19.993 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -11.982 -6.578 17.469 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -10.529 -7.362 21.377 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -10.040 -7.584 18.889 1.00 0.00 H new ATOM 1243 N MET A 83 -17.171 -5.941 17.413 1.00 0.00 N ATOM 1244 CA MET A 83 -18.515 -6.493 17.497 1.00 0.00 C ATOM 1245 C MET A 83 -18.577 -7.876 16.858 1.00 0.00 C ATOM 1246 O MET A 83 -18.633 -8.892 17.551 1.00 0.00 O ATOM 1247 CB MET A 83 -19.503 -5.554 16.798 1.00 0.00 C ATOM 1248 CG MET A 83 -20.337 -4.717 17.754 1.00 0.00 C ATOM 1249 SD MET A 83 -21.801 -5.585 18.352 1.00 0.00 S ATOM 1250 CE MET A 83 -22.683 -5.888 16.820 1.00 0.00 C ATOM 0 H MET A 83 -17.102 -5.096 16.846 1.00 0.00 H new ATOM 0 HA MET A 83 -18.783 -6.589 18.549 1.00 0.00 H new ATOM 0 HB2 MET A 83 -18.950 -4.888 16.135 1.00 0.00 H new ATOM 0 HB3 MET A 83 -20.170 -6.146 16.171 1.00 0.00 H new ATOM 0 HG2 MET A 83 -19.721 -4.424 18.605 1.00 0.00 H new ATOM 0 HG3 MET A 83 -20.644 -3.799 17.252 1.00 0.00 H new ATOM 0 HE1 MET A 83 -23.727 -5.597 16.937 1.00 0.00 H new ATOM 0 HE2 MET A 83 -22.231 -5.304 16.018 1.00 0.00 H new ATOM 0 HE3 MET A 83 -22.628 -6.948 16.572 1.00 0.00 H new ATOM 1260 N ASN A 84 -18.569 -7.903 15.529 1.00 0.00 N ATOM 1261 CA ASN A 84 -18.629 -9.156 14.784 1.00 0.00 C ATOM 1262 C ASN A 84 -17.323 -9.408 14.036 1.00 0.00 C ATOM 1263 O ASN A 84 -17.183 -9.040 12.870 1.00 0.00 O ATOM 1264 CB ASN A 84 -19.796 -9.124 13.798 1.00 0.00 C ATOM 1265 CG ASN A 84 -21.134 -9.322 14.482 1.00 0.00 C ATOM 1266 OD1 ASN A 84 -21.384 -10.357 15.100 1.00 0.00 O ATOM 1267 ND2 ASN A 84 -22.004 -8.322 14.376 1.00 0.00 N ATOM 0 H ASN A 84 -18.521 -7.069 14.944 1.00 0.00 H new ATOM 0 HA ASN A 84 -18.781 -9.969 15.494 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -19.798 -8.170 13.272 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -19.656 -9.902 13.047 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -22.921 -8.395 14.817 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -21.754 -7.482 13.854 1.00 0.00 H new ATOM 1274 N VAL A 85 -16.369 -10.035 14.718 1.00 0.00 N ATOM 1275 CA VAL A 85 -15.075 -10.338 14.120 1.00 0.00 C ATOM 1276 C VAL A 85 -14.808 -11.839 14.123 1.00 0.00 C ATOM 1277 O VAL A 85 -13.987 -12.295 13.299 1.00 0.00 O ATOM 1278 CB VAL A 85 -13.931 -9.617 14.864 1.00 0.00 C ATOM 1279 CG1 VAL A 85 -13.868 -10.060 16.318 1.00 0.00 C ATOM 1280 CG2 VAL A 85 -12.600 -9.857 14.168 1.00 0.00 C ATOM 1281 OXT VAL A 85 -15.424 -12.547 14.947 1.00 0.00 O ATOM 0 H VAL A 85 -16.469 -10.343 15.685 1.00 0.00 H new ATOM 0 HA VAL A 85 -15.108 -9.982 13.090 1.00 0.00 H new ATOM 0 HB VAL A 85 -14.136 -8.547 14.845 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -13.054 -9.539 16.822 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -14.811 -9.824 16.811 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -13.694 -11.135 16.364 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -11.808 -9.340 14.709 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -12.387 -10.926 14.148 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -12.650 -9.478 13.147 1.00 0.00 H new TER 1291 VAL A 85