USER MOD reduce.3.24.130724 H: found=0, std=0, add=837, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 837 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 ASN : amide:sc= -0.259 X(o=-0.6,f=-0.19) USER MOD Set 1.2: A 84 HIS : no HE2:sc= -0.998 K(o=-0.6,f=-3.8!) USER MOD Set 1.3: A 93 THR OG1 : rot 1:sc= 0.661 USER MOD Set 2.1: A 32 GLN :FLIP amide:sc= -0.483 F(o=-0.7,f=0.17) USER MOD Set 2.2: A 74 TYR OH : rot 130:sc= 0.432 USER MOD Set 2.3: A 96 LYS NZ :NH3+ -130:sc= 0.22 (180deg=0) USER MOD Set 3.1: A 47 THR OG1 : rot -2:sc= -0.442 USER MOD Set 3.2: A 50 THR OG1 : rot -150:sc= 0.864 USER MOD Set 4.1: A 38 GLN : amide:sc= -0.262 X(o=-0.66,f=-1.1) USER MOD Set 4.2: A 45 ASN : amide:sc= -0.395 X(o=-0.66,f=-0.65) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -0.17 K(o=-0.17,f=-3.7!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 HIS : no HE2:sc= -1.89! C(o=-1.9!,f=-4.9!) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.229 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -0.154 K(o=-0.15,f=-1.6) USER MOD Single : A 42 SER OG : rot -16:sc= 0.128 USER MOD Single : A 43 THR OG1 : rot -140:sc= -0.131 USER MOD Single : A 54 GLN :FLIP amide:sc= -0.56 F(o=-2.1!,f=-0.56) USER MOD Single : A 55 GLN : amide:sc= -0.0559 X(o=-0.056,f=-0.31) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 63:sc= 0.593 USER MOD Single : A 66 THR OG1 : rot -81:sc= 0.528 USER MOD Single : A 68 GLN : amide:sc= -0.135 X(o=-0.14,f=-0.49) USER MOD Single : A 70 HIS : no HD1:sc= -0.586 K(o=-0.59,f=-2.4!) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 GLN : amide:sc= 0.371 K(o=0.37,f=-0.4) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= -0.565 USER MOD Single : A 103 GLN : amide:sc= -2.68! C(o=-2.7!,f=-2.5!) USER MOD Single : A 107 HIS : no HD1:sc= -0.0012 X(o=-0.0012,f=-0.0012) USER MOD Single : A 108 SER OG : rot 41:sc= 0.27 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 30.923 17.606 -29.627 1.00 51.43 N ATOM 2 CA GLY A 1 29.682 17.592 -28.824 1.00 34.54 C ATOM 3 C GLY A 1 28.673 18.610 -29.332 1.00 45.41 C ATOM 4 O GLY A 1 28.960 19.812 -29.341 1.00 55.13 O ATOM 0 H1 GLY A 1 31.587 16.899 -29.252 1.00 51.43 H new ATOM 0 H2 GLY A 1 30.699 17.379 -30.617 1.00 51.43 H new ATOM 0 H3 GLY A 1 31.357 18.550 -29.578 1.00 51.43 H new ATOM 0 HA2 GLY A 1 29.241 16.596 -28.853 1.00 34.54 H new ATOM 0 HA3 GLY A 1 29.920 17.804 -27.782 1.00 34.54 H new ATOM 10 N THR A 2 27.505 18.123 -29.785 1.00 51.10 N ATOM 11 CA THR A 2 26.378 18.968 -30.236 1.00 34.24 C ATOM 12 C THR A 2 25.110 18.569 -29.444 1.00 63.44 C ATOM 13 O THR A 2 25.004 17.418 -28.995 1.00 13.35 O ATOM 14 CB THR A 2 26.118 18.785 -31.780 1.00 3.11 C ATOM 15 OG1 THR A 2 27.365 18.837 -32.500 1.00 3.10 O ATOM 16 CG2 THR A 2 25.158 19.854 -32.356 1.00 74.43 C ATOM 0 H THR A 2 27.312 17.124 -29.850 1.00 51.10 H new ATOM 0 HA THR A 2 26.624 20.014 -30.056 1.00 34.24 H new ATOM 0 HB THR A 2 25.644 17.811 -31.904 1.00 3.11 H new ATOM 0 HG1 THR A 2 27.195 18.721 -33.458 1.00 3.10 H new ATOM 0 HG21 THR A 2 25.016 19.679 -33.422 1.00 74.43 H new ATOM 0 HG22 THR A 2 24.196 19.792 -31.847 1.00 74.43 H new ATOM 0 HG23 THR A 2 25.585 20.846 -32.205 1.00 74.43 H new ATOM 24 N ILE A 3 24.169 19.521 -29.270 1.00 2.02 N ATOM 25 CA ILE A 3 22.867 19.249 -28.635 1.00 74.22 C ATOM 26 C ILE A 3 22.106 18.150 -29.407 1.00 1.21 C ATOM 27 O ILE A 3 21.882 18.264 -30.620 1.00 61.11 O ATOM 28 CB ILE A 3 21.978 20.551 -28.501 1.00 25.44 C ATOM 29 CG1 ILE A 3 20.571 20.195 -27.906 1.00 3.31 C ATOM 30 CG2 ILE A 3 21.855 21.322 -29.842 1.00 11.33 C ATOM 31 CD1 ILE A 3 19.649 21.378 -27.655 1.00 11.35 C ATOM 0 H ILE A 3 24.291 20.490 -29.563 1.00 2.02 H new ATOM 0 HA ILE A 3 23.072 18.896 -27.624 1.00 74.22 H new ATOM 0 HB ILE A 3 22.482 21.224 -27.808 1.00 25.44 H new ATOM 0 HG12 ILE A 3 20.072 19.505 -28.587 1.00 3.31 H new ATOM 0 HG13 ILE A 3 20.717 19.664 -26.965 1.00 3.31 H new ATOM 0 HG21 ILE A 3 21.235 22.207 -29.697 1.00 11.33 H new ATOM 0 HG22 ILE A 3 22.846 21.624 -30.180 1.00 11.33 H new ATOM 0 HG23 ILE A 3 21.397 20.677 -30.592 1.00 11.33 H new ATOM 0 HD11 ILE A 3 18.704 21.022 -27.244 1.00 11.35 H new ATOM 0 HD12 ILE A 3 20.118 22.061 -26.947 1.00 11.35 H new ATOM 0 HD13 ILE A 3 19.463 21.900 -28.594 1.00 11.35 H new ATOM 43 N ASP A 4 21.767 17.066 -28.699 1.00 2.21 N ATOM 44 CA ASP A 4 21.074 15.920 -29.286 1.00 74.04 C ATOM 45 C ASP A 4 19.572 16.230 -29.413 1.00 52.54 C ATOM 46 O ASP A 4 18.919 16.624 -28.442 1.00 63.51 O ATOM 47 CB ASP A 4 21.306 14.640 -28.454 1.00 30.24 C ATOM 48 CG ASP A 4 20.680 13.405 -29.123 1.00 41.53 C ATOM 49 OD1 ASP A 4 21.262 12.890 -30.095 1.00 2.14 O ATOM 50 OD2 ASP A 4 19.611 12.957 -28.696 1.00 2.12 O1- ATOM 0 H ASP A 4 21.967 16.962 -27.704 1.00 2.21 H new ATOM 0 HA ASP A 4 21.482 15.739 -30.280 1.00 74.04 H new ATOM 0 HB2 ASP A 4 22.376 14.480 -28.324 1.00 30.24 H new ATOM 0 HB3 ASP A 4 20.880 14.770 -27.459 1.00 30.24 H new ATOM 55 N TYR A 5 19.052 16.052 -30.622 1.00 4.55 N ATOM 56 CA TYR A 5 17.695 16.463 -30.999 1.00 5.31 C ATOM 57 C TYR A 5 16.657 15.370 -30.671 1.00 15.04 C ATOM 58 O TYR A 5 15.538 15.676 -30.238 1.00 45.12 O ATOM 59 CB TYR A 5 17.689 16.813 -32.507 1.00 62.24 C ATOM 60 CG TYR A 5 18.810 17.789 -32.904 1.00 23.34 C ATOM 61 CD1 TYR A 5 18.685 19.164 -32.681 1.00 71.43 C ATOM 62 CD2 TYR A 5 20.008 17.332 -33.470 1.00 11.12 C ATOM 63 CE1 TYR A 5 19.704 20.039 -33.008 1.00 53.32 C ATOM 64 CE2 TYR A 5 21.026 18.206 -33.804 1.00 41.10 C ATOM 65 CZ TYR A 5 20.872 19.556 -33.567 1.00 65.24 C ATOM 66 OH TYR A 5 21.895 20.429 -33.881 1.00 31.13 O ATOM 0 H TYR A 5 19.566 15.611 -31.384 1.00 4.55 H new ATOM 0 HA TYR A 5 17.409 17.340 -30.419 1.00 5.31 H new ATOM 0 HB2 TYR A 5 17.791 15.896 -33.087 1.00 62.24 H new ATOM 0 HB3 TYR A 5 16.725 17.250 -32.769 1.00 62.24 H new ATOM 0 HD1 TYR A 5 17.775 19.549 -32.245 1.00 71.43 H new ATOM 0 HD2 TYR A 5 20.139 16.275 -33.649 1.00 11.12 H new ATOM 0 HE1 TYR A 5 19.588 21.097 -32.827 1.00 53.32 H new ATOM 0 HE2 TYR A 5 21.937 17.833 -34.248 1.00 41.10 H new ATOM 0 HH TYR A 5 22.646 19.929 -34.265 1.00 31.13 H new ATOM 76 N GLN A 6 17.048 14.089 -30.869 1.00 65.12 N ATOM 77 CA GLN A 6 16.142 12.925 -30.708 1.00 24.12 C ATOM 78 C GLN A 6 15.846 12.618 -29.226 1.00 21.13 C ATOM 79 O GLN A 6 14.878 11.902 -28.927 1.00 63.22 O ATOM 80 CB GLN A 6 16.706 11.681 -31.477 1.00 20.04 C ATOM 81 CG GLN A 6 18.149 11.223 -31.120 1.00 50.32 C ATOM 82 CD GLN A 6 18.258 10.174 -29.991 1.00 61.04 C ATOM 83 OE1 GLN A 6 17.429 10.100 -29.082 1.00 22.01 O ATOM 84 NE2 GLN A 6 19.298 9.357 -30.036 1.00 73.44 N ATOM 0 H GLN A 6 17.996 13.833 -31.144 1.00 65.12 H new ATOM 0 HA GLN A 6 15.181 13.182 -31.155 1.00 24.12 H new ATOM 0 HB2 GLN A 6 16.032 10.842 -31.304 1.00 20.04 H new ATOM 0 HB3 GLN A 6 16.675 11.900 -32.544 1.00 20.04 H new ATOM 0 HG2 GLN A 6 18.613 10.814 -32.017 1.00 50.32 H new ATOM 0 HG3 GLN A 6 18.729 12.100 -30.833 1.00 50.32 H new ATOM 0 HE21 GLN A 6 19.974 9.433 -30.796 1.00 73.44 H new ATOM 0 HE22 GLN A 6 19.424 8.651 -29.311 1.00 73.44 H new ATOM 93 N ALA A 7 16.683 13.168 -28.314 1.00 21.30 N ATOM 94 CA ALA A 7 16.503 13.030 -26.849 1.00 62.55 C ATOM 95 C ALA A 7 15.211 13.709 -26.374 1.00 53.33 C ATOM 96 O ALA A 7 14.634 13.304 -25.363 1.00 63.03 O ATOM 97 CB ALA A 7 17.710 13.591 -26.086 1.00 33.14 C ATOM 0 H ALA A 7 17.501 13.719 -28.573 1.00 21.30 H new ATOM 0 HA ALA A 7 16.424 11.964 -26.634 1.00 62.55 H new ATOM 0 HB1 ALA A 7 17.549 13.476 -25.014 1.00 33.14 H new ATOM 0 HB2 ALA A 7 18.609 13.049 -26.378 1.00 33.14 H new ATOM 0 HB3 ALA A 7 17.831 14.648 -26.323 1.00 33.14 H new ATOM 103 N LEU A 8 14.781 14.753 -27.102 1.00 34.02 N ATOM 104 CA LEU A 8 13.518 15.446 -26.832 1.00 65.30 C ATOM 105 C LEU A 8 12.363 14.540 -27.296 1.00 23.11 C ATOM 106 O LEU A 8 11.933 14.595 -28.456 1.00 53.31 O ATOM 107 CB LEU A 8 13.477 16.843 -27.520 1.00 72.24 C ATOM 108 CG LEU A 8 14.428 17.945 -26.929 1.00 11.23 C ATOM 109 CD1 LEU A 8 15.924 17.627 -27.159 1.00 22.14 C ATOM 110 CD2 LEU A 8 14.058 19.343 -27.477 1.00 22.12 C ATOM 0 H LEU A 8 15.300 15.137 -27.892 1.00 34.02 H new ATOM 0 HA LEU A 8 13.420 15.636 -25.763 1.00 65.30 H new ATOM 0 HB2 LEU A 8 13.722 16.711 -28.574 1.00 72.24 H new ATOM 0 HB3 LEU A 8 12.454 17.216 -27.474 1.00 72.24 H new ATOM 0 HG LEU A 8 14.277 17.949 -25.849 1.00 11.23 H new ATOM 0 HD11 LEU A 8 16.535 18.421 -26.730 1.00 22.14 H new ATOM 0 HD12 LEU A 8 16.172 16.680 -26.680 1.00 22.14 H new ATOM 0 HD13 LEU A 8 16.120 17.555 -28.229 1.00 22.14 H new ATOM 0 HD21 LEU A 8 14.730 20.089 -27.054 1.00 22.12 H new ATOM 0 HD22 LEU A 8 14.152 19.345 -28.563 1.00 22.12 H new ATOM 0 HD23 LEU A 8 13.031 19.582 -27.201 1.00 22.12 H new ATOM 122 N LYS A 9 11.915 13.668 -26.384 1.00 40.52 N ATOM 123 CA LYS A 9 10.996 12.572 -26.695 1.00 2.42 C ATOM 124 C LYS A 9 10.224 12.167 -25.434 1.00 50.43 C ATOM 125 O LYS A 9 10.808 12.092 -24.345 1.00 54.13 O ATOM 126 CB LYS A 9 11.806 11.367 -27.251 1.00 70.43 C ATOM 127 CG LYS A 9 10.942 10.254 -27.932 1.00 43.34 C ATOM 128 CD LYS A 9 11.410 9.928 -29.369 1.00 71.24 C ATOM 129 CE LYS A 9 11.381 11.166 -30.290 1.00 32.32 C ATOM 130 NZ LYS A 9 11.879 10.867 -31.656 1.00 54.30 N1+ ATOM 0 H LYS A 9 12.184 13.706 -25.401 1.00 40.52 H new ATOM 0 HA LYS A 9 10.278 12.895 -27.449 1.00 2.42 H new ATOM 0 HB2 LYS A 9 12.532 11.738 -27.975 1.00 70.43 H new ATOM 0 HB3 LYS A 9 12.371 10.919 -26.434 1.00 70.43 H new ATOM 0 HG2 LYS A 9 10.982 9.348 -27.327 1.00 43.34 H new ATOM 0 HG3 LYS A 9 9.900 10.574 -27.958 1.00 43.34 H new ATOM 0 HD2 LYS A 9 12.423 9.526 -29.336 1.00 71.24 H new ATOM 0 HD3 LYS A 9 10.772 9.151 -29.789 1.00 71.24 H new ATOM 0 HE2 LYS A 9 10.361 11.545 -30.353 1.00 32.32 H new ATOM 0 HE3 LYS A 9 11.988 11.957 -29.850 1.00 32.32 H new ATOM 0 HZ1 LYS A 9 11.840 11.729 -32.236 1.00 54.30 H new ATOM 0 HZ2 LYS A 9 12.862 10.531 -31.601 1.00 54.30 H new ATOM 0 HZ3 LYS A 9 11.285 10.131 -32.089 1.00 54.30 H new ATOM 144 N ARG A 10 8.914 11.907 -25.586 1.00 13.13 N ATOM 145 CA ARG A 10 8.069 11.448 -24.467 1.00 21.41 C ATOM 146 C ARG A 10 8.201 9.921 -24.290 1.00 14.23 C ATOM 147 O ARG A 10 8.670 9.208 -25.193 1.00 22.01 O ATOM 148 CB ARG A 10 6.568 11.857 -24.646 1.00 1.43 C ATOM 149 CG ARG A 10 5.743 11.056 -25.687 1.00 22.01 C ATOM 150 CD ARG A 10 6.117 11.352 -27.150 1.00 50.22 C ATOM 151 NE ARG A 10 5.242 10.632 -28.091 1.00 33.02 N ATOM 152 CZ ARG A 10 5.051 10.952 -29.382 1.00 4.32 C ATOM 153 NH1 ARG A 10 5.670 11.995 -29.937 1.00 43.13 N1+ ATOM 154 NH2 ARG A 10 4.209 10.237 -30.117 1.00 41.04 N ATOM 0 H ARG A 10 8.417 12.006 -26.471 1.00 13.13 H new ATOM 0 HA ARG A 10 8.426 11.945 -23.565 1.00 21.41 H new ATOM 0 HB2 ARG A 10 6.074 11.766 -23.679 1.00 1.43 H new ATOM 0 HB3 ARG A 10 6.534 12.910 -24.924 1.00 1.43 H new ATOM 0 HG2 ARG A 10 5.876 9.991 -25.498 1.00 22.01 H new ATOM 0 HG3 ARG A 10 4.685 11.275 -25.542 1.00 22.01 H new ATOM 0 HD2 ARG A 10 6.046 12.424 -27.334 1.00 50.22 H new ATOM 0 HD3 ARG A 10 7.154 11.066 -27.326 1.00 50.22 H new ATOM 0 HE ARG A 10 4.738 9.821 -27.732 1.00 33.02 H new ATOM 0 HH11 ARG A 10 6.303 12.568 -29.379 1.00 43.13 H new ATOM 0 HH12 ARG A 10 5.510 12.220 -30.919 1.00 43.13 H new ATOM 0 HH21 ARG A 10 3.711 9.450 -29.701 1.00 41.04 H new ATOM 0 HH22 ARG A 10 4.060 10.475 -31.098 1.00 41.04 H new ATOM 168 N ARG A 11 7.774 9.441 -23.122 1.00 54.22 N ATOM 169 CA ARG A 11 7.759 8.011 -22.781 1.00 55.52 C ATOM 170 C ARG A 11 6.565 7.773 -21.821 1.00 15.23 C ATOM 171 O ARG A 11 5.678 8.640 -21.738 1.00 75.23 O ATOM 172 CB ARG A 11 9.144 7.603 -22.169 1.00 3.44 C ATOM 173 CG ARG A 11 9.489 6.095 -22.277 1.00 32.42 C ATOM 174 CD ARG A 11 10.917 5.773 -21.808 1.00 23.42 C ATOM 175 NE ARG A 11 11.246 4.342 -21.958 1.00 71.12 N ATOM 176 CZ ARG A 11 12.481 3.814 -21.877 1.00 31.10 C ATOM 177 NH1 ARG A 11 13.541 4.589 -21.635 1.00 13.54 N1+ ATOM 178 NH2 ARG A 11 12.654 2.507 -22.060 1.00 64.12 N ATOM 0 H ARG A 11 7.423 10.039 -22.374 1.00 54.22 H new ATOM 0 HA ARG A 11 7.620 7.380 -23.659 1.00 55.52 H new ATOM 0 HB2 ARG A 11 9.927 8.176 -22.666 1.00 3.44 H new ATOM 0 HB3 ARG A 11 9.158 7.889 -21.117 1.00 3.44 H new ATOM 0 HG2 ARG A 11 8.778 5.521 -21.682 1.00 32.42 H new ATOM 0 HG3 ARG A 11 9.371 5.774 -23.312 1.00 32.42 H new ATOM 0 HD2 ARG A 11 11.628 6.369 -22.380 1.00 23.42 H new ATOM 0 HD3 ARG A 11 11.028 6.061 -20.763 1.00 23.42 H new ATOM 0 HE ARG A 11 10.474 3.701 -22.138 1.00 71.12 H new ATOM 0 HH11 ARG A 11 13.420 5.594 -21.509 1.00 13.54 H new ATOM 0 HH12 ARG A 11 14.472 4.176 -21.576 1.00 13.54 H new ATOM 0 HH21 ARG A 11 11.852 1.910 -22.261 1.00 64.12 H new ATOM 0 HH22 ARG A 11 13.589 2.103 -21.999 1.00 64.12 H new ATOM 192 N HIS A 12 6.532 6.609 -21.120 1.00 0.11 N ATOM 193 CA HIS A 12 5.432 6.214 -20.199 1.00 45.45 C ATOM 194 C HIS A 12 4.151 5.847 -20.985 1.00 71.10 C ATOM 195 O HIS A 12 4.088 5.996 -22.211 1.00 50.40 O ATOM 196 CB HIS A 12 5.105 7.314 -19.136 1.00 53.54 C ATOM 197 CG HIS A 12 6.199 7.592 -18.139 1.00 63.30 C ATOM 198 ND1 HIS A 12 7.396 8.189 -18.470 1.00 55.01 N ATOM 199 CD2 HIS A 12 6.249 7.387 -16.801 1.00 40.21 C ATOM 200 CE1 HIS A 12 8.125 8.337 -17.382 1.00 70.31 C ATOM 201 NE2 HIS A 12 7.453 7.863 -16.356 1.00 70.02 N ATOM 0 H HIS A 12 7.275 5.912 -21.179 1.00 0.11 H new ATOM 0 HA HIS A 12 5.790 5.336 -19.662 1.00 45.45 H new ATOM 0 HB2 HIS A 12 4.868 8.241 -19.658 1.00 53.54 H new ATOM 0 HB3 HIS A 12 4.208 7.016 -18.593 1.00 53.54 H new ATOM 0 HD1 HIS A 12 7.674 8.472 -19.410 1.00 55.01 H new ATOM 0 HD2 HIS A 12 5.479 6.931 -16.196 1.00 40.21 H new ATOM 0 HE1 HIS A 12 9.111 8.775 -17.340 1.00 70.31 H new ATOM 210 N THR A 13 3.142 5.341 -20.260 1.00 14.24 N ATOM 211 CA THR A 13 1.802 5.091 -20.797 1.00 43.30 C ATOM 212 C THR A 13 0.753 5.688 -19.824 1.00 13.51 C ATOM 213 O THR A 13 0.671 5.276 -18.657 1.00 53.01 O ATOM 214 CB THR A 13 1.540 3.562 -21.071 1.00 32.21 C ATOM 215 OG1 THR A 13 0.206 3.376 -21.560 1.00 41.24 O ATOM 216 CG2 THR A 13 1.755 2.669 -19.832 1.00 42.54 C ATOM 0 H THR A 13 3.237 5.093 -19.275 1.00 14.24 H new ATOM 0 HA THR A 13 1.717 5.582 -21.767 1.00 43.30 H new ATOM 0 HB THR A 13 2.273 3.255 -21.817 1.00 32.21 H new ATOM 0 HG1 THR A 13 0.050 2.424 -21.730 1.00 41.24 H new ATOM 0 HG21 THR A 13 1.557 1.630 -20.094 1.00 42.54 H new ATOM 0 HG22 THR A 13 2.784 2.767 -19.487 1.00 42.54 H new ATOM 0 HG23 THR A 13 1.076 2.979 -19.038 1.00 42.54 H new ATOM 224 N PRO A 14 -0.040 6.713 -20.269 1.00 62.13 N ATOM 225 CA PRO A 14 -1.074 7.356 -19.425 1.00 33.22 C ATOM 226 C PRO A 14 -2.422 6.608 -19.474 1.00 23.03 C ATOM 227 O PRO A 14 -3.425 7.123 -18.966 1.00 63.22 O ATOM 228 CB PRO A 14 -1.173 8.761 -20.065 1.00 42.54 C ATOM 229 CG PRO A 14 -0.945 8.522 -21.533 1.00 51.02 C ATOM 230 CD PRO A 14 0.016 7.347 -21.626 1.00 35.44 C ATOM 0 HA PRO A 14 -0.823 7.367 -18.364 1.00 33.22 H new ATOM 0 HB2 PRO A 14 -2.148 9.212 -19.883 1.00 42.54 H new ATOM 0 HB3 PRO A 14 -0.426 9.439 -19.652 1.00 42.54 H new ATOM 0 HG2 PRO A 14 -1.883 8.299 -22.042 1.00 51.02 H new ATOM 0 HG3 PRO A 14 -0.525 9.407 -22.011 1.00 51.02 H new ATOM 0 HD2 PRO A 14 -0.286 6.647 -22.405 1.00 35.44 H new ATOM 0 HD3 PRO A 14 1.026 7.678 -21.869 1.00 35.44 H new ATOM 238 N GLU A 15 -2.428 5.399 -20.082 1.00 64.33 N ATOM 239 CA GLU A 15 -3.636 4.572 -20.230 1.00 63.20 C ATOM 240 C GLU A 15 -4.030 3.993 -18.856 1.00 15.13 C ATOM 241 O GLU A 15 -3.711 2.845 -18.532 1.00 10.33 O ATOM 242 CB GLU A 15 -3.401 3.429 -21.265 1.00 2.42 C ATOM 243 CG GLU A 15 -2.811 3.876 -22.621 1.00 65.32 C ATOM 244 CD GLU A 15 -3.685 4.890 -23.384 1.00 11.30 C ATOM 245 OE1 GLU A 15 -4.678 4.480 -24.025 1.00 3.41 O ATOM 246 OE2 GLU A 15 -3.383 6.103 -23.346 1.00 0.14 O1- ATOM 0 H GLU A 15 -1.592 4.974 -20.482 1.00 64.33 H new ATOM 0 HA GLU A 15 -4.450 5.193 -20.603 1.00 63.20 H new ATOM 0 HB2 GLU A 15 -2.731 2.692 -20.822 1.00 2.42 H new ATOM 0 HB3 GLU A 15 -4.351 2.927 -21.449 1.00 2.42 H new ATOM 0 HG2 GLU A 15 -1.828 4.316 -22.450 1.00 65.32 H new ATOM 0 HG3 GLU A 15 -2.662 2.997 -23.248 1.00 65.32 H new ATOM 253 N ALA A 16 -4.681 4.828 -18.032 1.00 22.30 N ATOM 254 CA ALA A 16 -5.053 4.478 -16.662 1.00 42.55 C ATOM 255 C ALA A 16 -6.495 3.948 -16.634 1.00 52.31 C ATOM 256 O ALA A 16 -7.447 4.711 -16.407 1.00 13.01 O ATOM 257 CB ALA A 16 -4.855 5.696 -15.728 1.00 51.43 C ATOM 0 H ALA A 16 -4.964 5.770 -18.304 1.00 22.30 H new ATOM 0 HA ALA A 16 -4.404 3.683 -16.294 1.00 42.55 H new ATOM 0 HB1 ALA A 16 -5.135 5.424 -14.710 1.00 51.43 H new ATOM 0 HB2 ALA A 16 -3.809 6.003 -15.747 1.00 51.43 H new ATOM 0 HB3 ALA A 16 -5.481 6.521 -16.068 1.00 51.43 H new ATOM 263 N GLU A 17 -6.655 2.647 -16.957 1.00 41.15 N ATOM 264 CA GLU A 17 -7.948 1.947 -16.828 1.00 5.51 C ATOM 265 C GLU A 17 -8.345 1.811 -15.358 1.00 0.03 C ATOM 266 O GLU A 17 -7.479 1.610 -14.488 1.00 14.14 O ATOM 267 CB GLU A 17 -7.925 0.557 -17.536 1.00 23.03 C ATOM 268 CG GLU A 17 -8.167 0.621 -19.063 1.00 12.31 C ATOM 269 CD GLU A 17 -9.611 1.047 -19.430 1.00 71.32 C ATOM 270 OE1 GLU A 17 -10.487 0.167 -19.565 1.00 74.35 O ATOM 271 OE2 GLU A 17 -9.879 2.258 -19.568 1.00 75.54 O1- ATOM 0 H GLU A 17 -5.900 2.059 -17.310 1.00 41.15 H new ATOM 0 HA GLU A 17 -8.703 2.552 -17.331 1.00 5.51 H new ATOM 0 HB2 GLU A 17 -6.961 0.083 -17.351 1.00 23.03 H new ATOM 0 HB3 GLU A 17 -8.685 -0.081 -17.085 1.00 23.03 H new ATOM 0 HG2 GLU A 17 -7.463 1.324 -19.508 1.00 12.31 H new ATOM 0 HG3 GLU A 17 -7.960 -0.356 -19.499 1.00 12.31 H new ATOM 278 N ASN A 18 -9.659 1.945 -15.101 1.00 41.43 N ATOM 279 CA ASN A 18 -10.237 1.835 -13.760 1.00 21.42 C ATOM 280 C ASN A 18 -10.216 0.354 -13.335 1.00 21.22 C ATOM 281 O ASN A 18 -10.931 -0.462 -13.925 1.00 12.53 O ATOM 282 CB ASN A 18 -11.690 2.391 -13.731 1.00 14.31 C ATOM 283 CG ASN A 18 -11.811 3.853 -14.188 1.00 44.14 C ATOM 284 OD1 ASN A 18 -10.886 4.656 -14.039 1.00 62.35 O ATOM 285 ND2 ASN A 18 -12.960 4.211 -14.742 1.00 75.23 N ATOM 0 H ASN A 18 -10.350 2.134 -15.827 1.00 41.43 H new ATOM 0 HA ASN A 18 -9.647 2.429 -13.062 1.00 21.42 H new ATOM 0 HB2 ASN A 18 -12.318 1.769 -14.368 1.00 14.31 H new ATOM 0 HB3 ASN A 18 -12.080 2.305 -12.717 1.00 14.31 H new ATOM 0 HD21 ASN A 18 -13.097 5.171 -15.058 1.00 75.23 H new ATOM 0 HD22 ASN A 18 -13.708 3.526 -14.853 1.00 75.23 H new ATOM 292 N PRO A 19 -9.368 -0.026 -12.326 1.00 2.55 N ATOM 293 CA PRO A 19 -9.168 -1.432 -11.926 1.00 60.43 C ATOM 294 C PRO A 19 -10.231 -1.878 -10.893 1.00 3.11 C ATOM 295 O PRO A 19 -9.916 -2.217 -9.744 1.00 4.23 O ATOM 296 CB PRO A 19 -7.713 -1.414 -11.358 1.00 50.32 C ATOM 297 CG PRO A 19 -7.305 0.048 -11.254 1.00 52.41 C ATOM 298 CD PRO A 19 -8.555 0.867 -11.469 1.00 3.54 C ATOM 0 HA PRO A 19 -9.284 -2.153 -12.736 1.00 60.43 H new ATOM 0 HB2 PRO A 19 -7.672 -1.898 -10.382 1.00 50.32 H new ATOM 0 HB3 PRO A 19 -7.034 -1.960 -12.013 1.00 50.32 H new ATOM 0 HG2 PRO A 19 -6.868 0.259 -10.278 1.00 52.41 H new ATOM 0 HG3 PRO A 19 -6.550 0.292 -12.001 1.00 52.41 H new ATOM 0 HD2 PRO A 19 -9.057 1.098 -10.530 1.00 3.54 H new ATOM 0 HD3 PRO A 19 -8.341 1.817 -11.958 1.00 3.54 H new ATOM 306 N ALA A 20 -11.493 -1.884 -11.352 1.00 23.44 N ATOM 307 CA ALA A 20 -12.681 -2.143 -10.521 1.00 32.24 C ATOM 308 C ALA A 20 -12.951 -3.649 -10.336 1.00 24.54 C ATOM 309 O ALA A 20 -13.652 -4.041 -9.397 1.00 31.11 O ATOM 310 CB ALA A 20 -13.904 -1.435 -11.136 1.00 30.20 C ATOM 0 H ALA A 20 -11.721 -1.706 -12.330 1.00 23.44 H new ATOM 0 HA ALA A 20 -12.490 -1.740 -9.527 1.00 32.24 H new ATOM 0 HB1 ALA A 20 -14.783 -1.627 -10.521 1.00 30.20 H new ATOM 0 HB2 ALA A 20 -13.719 -0.362 -11.180 1.00 30.20 H new ATOM 0 HB3 ALA A 20 -14.076 -1.815 -12.143 1.00 30.20 H new ATOM 316 N GLU A 21 -12.377 -4.487 -11.220 1.00 71.04 N ATOM 317 CA GLU A 21 -12.542 -5.959 -11.186 1.00 42.43 C ATOM 318 C GLU A 21 -11.653 -6.601 -10.090 1.00 33.21 C ATOM 319 O GLU A 21 -11.325 -5.949 -9.091 1.00 34.25 O ATOM 320 CB GLU A 21 -12.222 -6.530 -12.599 1.00 70.10 C ATOM 321 CG GLU A 21 -13.285 -6.211 -13.669 1.00 53.42 C ATOM 322 CD GLU A 21 -14.649 -6.859 -13.363 1.00 53.03 C ATOM 323 OE1 GLU A 21 -14.802 -8.077 -13.598 1.00 0.41 O ATOM 324 OE2 GLU A 21 -15.567 -6.166 -12.874 1.00 65.45 O1- ATOM 0 H GLU A 21 -11.782 -4.164 -11.983 1.00 71.04 H new ATOM 0 HA GLU A 21 -13.572 -6.205 -10.928 1.00 42.43 H new ATOM 0 HB2 GLU A 21 -11.261 -6.134 -12.929 1.00 70.10 H new ATOM 0 HB3 GLU A 21 -12.112 -7.612 -12.524 1.00 70.10 H new ATOM 0 HG2 GLU A 21 -13.409 -5.130 -13.742 1.00 53.42 H new ATOM 0 HG3 GLU A 21 -12.932 -6.558 -14.640 1.00 53.42 H new ATOM 331 N ALA A 22 -11.323 -7.905 -10.247 1.00 40.12 N ATOM 332 CA ALA A 22 -10.404 -8.634 -9.346 1.00 60.20 C ATOM 333 C ALA A 22 -8.931 -8.244 -9.612 1.00 71.35 C ATOM 334 O ALA A 22 -8.068 -9.097 -9.869 1.00 20.20 O ATOM 335 CB ALA A 22 -10.631 -10.154 -9.502 1.00 41.34 C ATOM 0 H ALA A 22 -11.689 -8.481 -11.005 1.00 40.12 H new ATOM 0 HA ALA A 22 -10.619 -8.355 -8.315 1.00 60.20 H new ATOM 0 HB1 ALA A 22 -9.954 -10.693 -8.839 1.00 41.34 H new ATOM 0 HB2 ALA A 22 -11.662 -10.396 -9.244 1.00 41.34 H new ATOM 0 HB3 ALA A 22 -10.437 -10.447 -10.534 1.00 41.34 H new ATOM 341 N ASP A 23 -8.650 -6.935 -9.530 1.00 72.01 N ATOM 342 CA ASP A 23 -7.315 -6.355 -9.785 1.00 31.21 C ATOM 343 C ASP A 23 -6.562 -6.132 -8.473 1.00 15.11 C ATOM 344 O ASP A 23 -5.514 -5.475 -8.464 1.00 51.35 O ATOM 345 CB ASP A 23 -7.452 -5.010 -10.546 1.00 43.22 C ATOM 346 CG ASP A 23 -8.092 -5.163 -11.936 1.00 41.14 C ATOM 347 OD1 ASP A 23 -7.378 -5.537 -12.893 1.00 20.40 O ATOM 348 OD2 ASP A 23 -9.304 -4.922 -12.076 1.00 62.31 O1- ATOM 0 H ASP A 23 -9.351 -6.237 -9.282 1.00 72.01 H new ATOM 0 HA ASP A 23 -6.749 -7.058 -10.397 1.00 31.21 H new ATOM 0 HB2 ASP A 23 -8.052 -4.322 -9.950 1.00 43.22 H new ATOM 0 HB3 ASP A 23 -6.465 -4.559 -10.655 1.00 43.22 H new ATOM 353 N LEU A 24 -7.108 -6.686 -7.376 1.00 70.13 N ATOM 354 CA LEU A 24 -6.543 -6.545 -6.026 1.00 15.42 C ATOM 355 C LEU A 24 -5.095 -7.078 -5.991 1.00 54.23 C ATOM 356 O LEU A 24 -4.790 -8.064 -6.675 1.00 53.50 O ATOM 357 CB LEU A 24 -7.445 -7.246 -4.958 1.00 23.13 C ATOM 358 CG LEU A 24 -8.751 -6.482 -4.557 1.00 54.24 C ATOM 359 CD1 LEU A 24 -9.741 -6.355 -5.734 1.00 23.24 C ATOM 360 CD2 LEU A 24 -9.412 -7.118 -3.312 1.00 25.41 C ATOM 0 H LEU A 24 -7.959 -7.247 -7.403 1.00 70.13 H new ATOM 0 HA LEU A 24 -6.516 -5.485 -5.773 1.00 15.42 H new ATOM 0 HB2 LEU A 24 -7.724 -8.230 -5.336 1.00 23.13 H new ATOM 0 HB3 LEU A 24 -6.851 -7.407 -4.058 1.00 23.13 H new ATOM 0 HG LEU A 24 -8.459 -5.466 -4.291 1.00 54.24 H new ATOM 0 HD11 LEU A 24 -10.630 -5.818 -5.405 1.00 23.24 H new ATOM 0 HD12 LEU A 24 -9.268 -5.809 -6.550 1.00 23.24 H new ATOM 0 HD13 LEU A 24 -10.025 -7.349 -6.080 1.00 23.24 H new ATOM 0 HD21 LEU A 24 -10.317 -6.565 -3.058 1.00 25.41 H new ATOM 0 HD22 LEU A 24 -9.669 -8.155 -3.526 1.00 25.41 H new ATOM 0 HD23 LEU A 24 -8.717 -7.082 -2.473 1.00 25.41 H new ATOM 372 N PRO A 25 -4.191 -6.420 -5.209 1.00 3.20 N ATOM 373 CA PRO A 25 -2.737 -6.716 -5.238 1.00 15.23 C ATOM 374 C PRO A 25 -2.432 -8.184 -4.867 1.00 10.44 C ATOM 375 O PRO A 25 -2.822 -8.659 -3.799 1.00 65.24 O ATOM 376 CB PRO A 25 -2.158 -5.721 -4.195 1.00 54.21 C ATOM 377 CG PRO A 25 -3.313 -5.383 -3.304 1.00 73.12 C ATOM 378 CD PRO A 25 -4.510 -5.355 -4.214 1.00 44.30 C ATOM 0 HA PRO A 25 -2.301 -6.598 -6.230 1.00 15.23 H new ATOM 0 HB2 PRO A 25 -1.342 -6.171 -3.630 1.00 54.21 H new ATOM 0 HB3 PRO A 25 -1.758 -4.830 -4.679 1.00 54.21 H new ATOM 0 HG2 PRO A 25 -3.434 -6.126 -2.515 1.00 73.12 H new ATOM 0 HG3 PRO A 25 -3.166 -4.420 -2.815 1.00 73.12 H new ATOM 0 HD2 PRO A 25 -5.433 -5.568 -3.675 1.00 44.30 H new ATOM 0 HD3 PRO A 25 -4.635 -4.382 -4.689 1.00 44.30 H new ATOM 386 N GLN A 26 -1.762 -8.899 -5.782 1.00 23.25 N ATOM 387 CA GLN A 26 -1.449 -10.329 -5.627 1.00 65.11 C ATOM 388 C GLN A 26 0.070 -10.498 -5.502 1.00 1.14 C ATOM 389 O GLN A 26 0.806 -10.266 -6.468 1.00 24.32 O ATOM 390 CB GLN A 26 -2.004 -11.134 -6.836 1.00 40.32 C ATOM 391 CG GLN A 26 -3.531 -11.058 -7.001 1.00 4.01 C ATOM 392 CD GLN A 26 -4.050 -11.791 -8.234 1.00 1.43 C ATOM 393 OE1 GLN A 26 -4.396 -12.978 -8.184 1.00 43.54 O ATOM 394 NE2 GLN A 26 -4.084 -11.096 -9.360 1.00 74.32 N ATOM 0 H GLN A 26 -1.419 -8.500 -6.656 1.00 23.25 H new ATOM 0 HA GLN A 26 -1.923 -10.716 -4.725 1.00 65.11 H new ATOM 0 HB2 GLN A 26 -1.533 -10.767 -7.748 1.00 40.32 H new ATOM 0 HB3 GLN A 26 -1.714 -12.179 -6.725 1.00 40.32 H new ATOM 0 HG2 GLN A 26 -4.005 -11.477 -6.113 1.00 4.01 H new ATOM 0 HG3 GLN A 26 -3.830 -10.011 -7.058 1.00 4.01 H new ATOM 0 HE21 GLN A 26 -3.791 -10.119 -9.365 1.00 74.32 H new ATOM 0 HE22 GLN A 26 -4.403 -11.538 -10.222 1.00 74.32 H new ATOM 403 N GLY A 27 0.522 -10.899 -4.304 1.00 31.41 N ATOM 404 CA GLY A 27 1.947 -10.995 -3.981 1.00 21.34 C ATOM 405 C GLY A 27 2.259 -10.235 -2.703 1.00 51.41 C ATOM 406 O GLY A 27 1.541 -9.285 -2.360 1.00 3.13 O ATOM 0 H GLY A 27 -0.093 -11.165 -3.535 1.00 31.41 H new ATOM 0 HA2 GLY A 27 2.229 -12.041 -3.866 1.00 21.34 H new ATOM 0 HA3 GLY A 27 2.539 -10.593 -4.803 1.00 21.34 H new ATOM 410 N ASP A 28 3.336 -10.635 -2.007 1.00 13.12 N ATOM 411 CA ASP A 28 3.710 -10.064 -0.694 1.00 41.31 C ATOM 412 C ASP A 28 4.033 -8.565 -0.818 1.00 24.25 C ATOM 413 O ASP A 28 3.547 -7.744 -0.031 1.00 13.01 O ATOM 414 CB ASP A 28 4.921 -10.824 -0.087 1.00 22.33 C ATOM 415 CG ASP A 28 4.652 -12.328 0.089 1.00 52.42 C ATOM 416 OD1 ASP A 28 4.196 -12.753 1.175 1.00 1.20 O ATOM 417 OD2 ASP A 28 4.861 -13.086 -0.879 1.00 45.23 O1- ATOM 0 H ASP A 28 3.973 -11.361 -2.334 1.00 13.12 H new ATOM 0 HA ASP A 28 2.857 -10.179 -0.026 1.00 41.31 H new ATOM 0 HB2 ASP A 28 5.790 -10.688 -0.731 1.00 22.33 H new ATOM 0 HB3 ASP A 28 5.170 -10.388 0.881 1.00 22.33 H new ATOM 422 N ILE A 29 4.826 -8.231 -1.846 1.00 45.12 N ATOM 423 CA ILE A 29 5.282 -6.857 -2.098 1.00 72.23 C ATOM 424 C ILE A 29 4.101 -5.977 -2.539 1.00 33.44 C ATOM 425 O ILE A 29 3.946 -4.868 -2.051 1.00 40.41 O ATOM 426 CB ILE A 29 6.422 -6.819 -3.181 1.00 73.14 C ATOM 427 CG1 ILE A 29 7.566 -7.811 -2.816 1.00 61.55 C ATOM 428 CG2 ILE A 29 6.981 -5.387 -3.368 1.00 44.52 C ATOM 429 CD1 ILE A 29 8.209 -7.579 -1.455 1.00 22.02 C ATOM 0 H ILE A 29 5.170 -8.908 -2.527 1.00 45.12 H new ATOM 0 HA ILE A 29 5.692 -6.465 -1.167 1.00 72.23 H new ATOM 0 HB ILE A 29 5.984 -7.131 -4.129 1.00 73.14 H new ATOM 0 HG12 ILE A 29 7.170 -8.826 -2.846 1.00 61.55 H new ATOM 0 HG13 ILE A 29 8.339 -7.748 -3.582 1.00 61.55 H new ATOM 0 HG21 ILE A 29 7.767 -5.399 -4.124 1.00 44.52 H new ATOM 0 HG22 ILE A 29 6.179 -4.722 -3.689 1.00 44.52 H new ATOM 0 HG23 ILE A 29 7.392 -5.030 -2.423 1.00 44.52 H new ATOM 0 HD11 ILE A 29 8.993 -8.319 -1.292 1.00 22.02 H new ATOM 0 HD12 ILE A 29 8.641 -6.579 -1.422 1.00 22.02 H new ATOM 0 HD13 ILE A 29 7.454 -7.673 -0.675 1.00 22.02 H new ATOM 441 N GLU A 30 3.249 -6.532 -3.420 1.00 34.21 N ATOM 442 CA GLU A 30 2.087 -5.831 -3.992 1.00 13.43 C ATOM 443 C GLU A 30 1.111 -5.406 -2.878 1.00 61.33 C ATOM 444 O GLU A 30 0.683 -4.254 -2.827 1.00 22.24 O ATOM 445 CB GLU A 30 1.372 -6.745 -5.029 1.00 74.55 C ATOM 446 CG GLU A 30 2.127 -6.975 -6.364 1.00 75.30 C ATOM 447 CD GLU A 30 3.548 -7.550 -6.197 1.00 21.25 C ATOM 448 OE1 GLU A 30 4.527 -6.896 -6.593 1.00 53.31 O ATOM 449 OE2 GLU A 30 3.693 -8.642 -5.612 1.00 11.23 O1- ATOM 0 H GLU A 30 3.350 -7.489 -3.758 1.00 34.21 H new ATOM 0 HA GLU A 30 2.434 -4.931 -4.500 1.00 13.43 H new ATOM 0 HB2 GLU A 30 1.190 -7.715 -4.565 1.00 74.55 H new ATOM 0 HB3 GLU A 30 0.398 -6.312 -5.255 1.00 74.55 H new ATOM 0 HG2 GLU A 30 1.543 -7.654 -6.986 1.00 75.30 H new ATOM 0 HG3 GLU A 30 2.191 -6.028 -6.900 1.00 75.30 H new ATOM 456 N LYS A 31 0.795 -6.361 -1.982 1.00 42.42 N ATOM 457 CA LYS A 31 -0.139 -6.150 -0.854 1.00 20.43 C ATOM 458 C LYS A 31 0.409 -5.124 0.151 1.00 72.31 C ATOM 459 O LYS A 31 -0.347 -4.318 0.696 1.00 64.23 O ATOM 460 CB LYS A 31 -0.429 -7.504 -0.154 1.00 51.54 C ATOM 461 CG LYS A 31 -1.284 -8.466 -0.994 1.00 73.43 C ATOM 462 CD LYS A 31 -1.448 -9.856 -0.346 1.00 15.44 C ATOM 463 CE LYS A 31 -2.450 -10.735 -1.102 1.00 1.21 C ATOM 464 NZ LYS A 31 -2.572 -12.087 -0.501 1.00 24.03 N1+ ATOM 0 H LYS A 31 1.181 -7.305 -2.019 1.00 42.42 H new ATOM 0 HA LYS A 31 -1.070 -5.746 -1.252 1.00 20.43 H new ATOM 0 HB2 LYS A 31 0.518 -7.989 0.085 1.00 51.54 H new ATOM 0 HB3 LYS A 31 -0.937 -7.312 0.791 1.00 51.54 H new ATOM 0 HG2 LYS A 31 -2.269 -8.026 -1.149 1.00 73.43 H new ATOM 0 HG3 LYS A 31 -0.829 -8.582 -1.978 1.00 73.43 H new ATOM 0 HD2 LYS A 31 -0.480 -10.356 -0.315 1.00 15.44 H new ATOM 0 HD3 LYS A 31 -1.779 -9.737 0.686 1.00 15.44 H new ATOM 0 HE2 LYS A 31 -3.426 -10.251 -1.105 1.00 1.21 H new ATOM 0 HE3 LYS A 31 -2.137 -10.828 -2.142 1.00 1.21 H new ATOM 0 HZ1 LYS A 31 -3.260 -12.647 -1.044 1.00 24.03 H new ATOM 0 HZ2 LYS A 31 -1.646 -12.561 -0.521 1.00 24.03 H new ATOM 0 HZ3 LYS A 31 -2.896 -12.001 0.484 1.00 24.03 H new ATOM 478 N GLN A 32 1.725 -5.171 0.374 1.00 51.34 N ATOM 479 CA GLN A 32 2.425 -4.278 1.313 1.00 62.33 C ATOM 480 C GLN A 32 2.471 -2.831 0.794 1.00 21.14 C ATOM 481 O GLN A 32 2.201 -1.892 1.546 1.00 14.51 O ATOM 482 CB GLN A 32 3.840 -4.832 1.556 1.00 61.30 C ATOM 483 CG GLN A 32 4.774 -3.917 2.366 1.00 31.30 C ATOM 484 CD GLN A 32 6.125 -4.560 2.633 1.00 61.40 C ATOM 485 OE1 GLN A 32 6.790 -4.134 3.684 1.00 73.41 O flip ATOM 486 NE2 GLN A 32 6.582 -5.420 1.874 1.00 35.14 N flip ATOM 0 H GLN A 32 2.343 -5.834 -0.094 1.00 51.34 H new ATOM 0 HA GLN A 32 1.878 -4.249 2.255 1.00 62.33 H new ATOM 0 HB2 GLN A 32 3.754 -5.787 2.075 1.00 61.30 H new ATOM 0 HB3 GLN A 32 4.304 -5.034 0.591 1.00 61.30 H new ATOM 0 HG2 GLN A 32 4.920 -2.982 1.826 1.00 31.30 H new ATOM 0 HG3 GLN A 32 4.300 -3.666 3.315 1.00 31.30 H new ATOM 0 HE21 GLN A 32 6.040 -5.728 1.067 1.00 35.14 H new ATOM 0 HE22 GLN A 32 7.502 -5.822 2.054 1.00 35.14 H new ATOM 495 N VAL A 33 2.812 -2.671 -0.502 1.00 55.22 N ATOM 496 CA VAL A 33 2.814 -1.361 -1.184 1.00 63.40 C ATOM 497 C VAL A 33 1.390 -0.777 -1.197 1.00 62.45 C ATOM 498 O VAL A 33 1.194 0.402 -0.906 1.00 21.44 O ATOM 499 CB VAL A 33 3.392 -1.483 -2.650 1.00 20.12 C ATOM 500 CG1 VAL A 33 3.269 -0.165 -3.451 1.00 14.22 C ATOM 501 CG2 VAL A 33 4.865 -1.952 -2.613 1.00 32.25 C ATOM 0 H VAL A 33 3.093 -3.445 -1.104 1.00 55.22 H new ATOM 0 HA VAL A 33 3.465 -0.682 -0.633 1.00 63.40 H new ATOM 0 HB VAL A 33 2.788 -2.228 -3.167 1.00 20.12 H new ATOM 0 HG11 VAL A 33 3.681 -0.307 -4.450 1.00 14.22 H new ATOM 0 HG12 VAL A 33 2.219 0.117 -3.528 1.00 14.22 H new ATOM 0 HG13 VAL A 33 3.820 0.624 -2.940 1.00 14.22 H new ATOM 0 HG21 VAL A 33 5.247 -2.031 -3.631 1.00 32.25 H new ATOM 0 HG22 VAL A 33 5.463 -1.231 -2.056 1.00 32.25 H new ATOM 0 HG23 VAL A 33 4.925 -2.926 -2.127 1.00 32.25 H new ATOM 511 N ALA A 34 0.402 -1.649 -1.454 1.00 42.41 N ATOM 512 CA ALA A 34 -1.019 -1.280 -1.468 1.00 41.32 C ATOM 513 C ALA A 34 -1.496 -0.820 -0.089 1.00 23.24 C ATOM 514 O ALA A 34 -2.277 0.131 0.017 1.00 71.30 O ATOM 515 CB ALA A 34 -1.863 -2.455 -1.947 1.00 32.45 C ATOM 0 H ALA A 34 0.569 -2.634 -1.659 1.00 42.41 H new ATOM 0 HA ALA A 34 -1.137 -0.445 -2.158 1.00 41.32 H new ATOM 0 HB1 ALA A 34 -2.915 -2.169 -1.953 1.00 32.45 H new ATOM 0 HB2 ALA A 34 -1.557 -2.735 -2.955 1.00 32.45 H new ATOM 0 HB3 ALA A 34 -1.721 -3.302 -1.276 1.00 32.45 H new ATOM 521 N ALA A 35 -1.002 -1.502 0.960 1.00 65.11 N ATOM 522 CA ALA A 35 -1.297 -1.151 2.349 1.00 53.42 C ATOM 523 C ALA A 35 -0.765 0.254 2.655 1.00 23.11 C ATOM 524 O ALA A 35 -1.512 1.101 3.119 1.00 22.43 O ATOM 525 CB ALA A 35 -0.699 -2.189 3.308 1.00 13.22 C ATOM 0 H ALA A 35 -0.388 -2.311 0.862 1.00 65.11 H new ATOM 0 HA ALA A 35 -2.377 -1.151 2.493 1.00 53.42 H new ATOM 0 HB1 ALA A 35 -0.929 -1.910 4.336 1.00 13.22 H new ATOM 0 HB2 ALA A 35 -1.124 -3.170 3.094 1.00 13.22 H new ATOM 0 HB3 ALA A 35 0.382 -2.226 3.176 1.00 13.22 H new ATOM 531 N LEU A 36 0.513 0.492 2.293 1.00 15.54 N ATOM 532 CA LEU A 36 1.201 1.777 2.520 1.00 31.03 C ATOM 533 C LEU A 36 0.518 2.932 1.762 1.00 71.02 C ATOM 534 O LEU A 36 0.439 4.040 2.267 1.00 43.20 O ATOM 535 CB LEU A 36 2.701 1.656 2.123 1.00 61.34 C ATOM 536 CG LEU A 36 3.559 0.700 3.016 1.00 63.04 C ATOM 537 CD1 LEU A 36 4.979 0.510 2.447 1.00 33.13 C ATOM 538 CD2 LEU A 36 3.598 1.195 4.478 1.00 1.31 C ATOM 0 H LEU A 36 1.098 -0.206 1.833 1.00 15.54 H new ATOM 0 HA LEU A 36 1.137 2.012 3.582 1.00 31.03 H new ATOM 0 HB2 LEU A 36 2.759 1.310 1.091 1.00 61.34 H new ATOM 0 HB3 LEU A 36 3.148 2.650 2.152 1.00 61.34 H new ATOM 0 HG LEU A 36 3.078 -0.278 3.008 1.00 63.04 H new ATOM 0 HD11 LEU A 36 5.544 -0.160 3.095 1.00 33.13 H new ATOM 0 HD12 LEU A 36 4.916 0.080 1.447 1.00 33.13 H new ATOM 0 HD13 LEU A 36 5.483 1.475 2.396 1.00 33.13 H new ATOM 0 HD21 LEU A 36 4.201 0.513 5.077 1.00 1.31 H new ATOM 0 HD22 LEU A 36 4.036 2.192 4.513 1.00 1.31 H new ATOM 0 HD23 LEU A 36 2.584 1.230 4.877 1.00 1.31 H new ATOM 550 N TRP A 37 -0.003 2.651 0.557 1.00 54.24 N ATOM 551 CA TRP A 37 -0.759 3.651 -0.228 1.00 63.41 C ATOM 552 C TRP A 37 -2.100 3.974 0.463 1.00 52.10 C ATOM 553 O TRP A 37 -2.496 5.127 0.545 1.00 22.01 O ATOM 554 CB TRP A 37 -0.988 3.154 -1.679 1.00 51.25 C ATOM 555 CG TRP A 37 0.247 3.129 -2.556 1.00 1.21 C ATOM 556 CD1 TRP A 37 1.556 3.134 -2.161 1.00 55.02 C ATOM 557 CD2 TRP A 37 0.274 3.086 -3.987 1.00 50.52 C ATOM 558 NE1 TRP A 37 2.382 3.098 -3.250 1.00 24.54 N ATOM 559 CE2 TRP A 37 1.626 3.068 -4.380 1.00 12.12 C ATOM 560 CE3 TRP A 37 -0.714 3.055 -4.971 1.00 72.34 C ATOM 561 CZ2 TRP A 37 2.016 3.020 -5.710 1.00 41.23 C ATOM 562 CZ3 TRP A 37 -0.326 3.015 -6.291 1.00 70.12 C ATOM 563 CH2 TRP A 37 1.030 2.996 -6.650 1.00 52.25 C ATOM 0 H TRP A 37 0.083 1.742 0.102 1.00 54.24 H new ATOM 0 HA TRP A 37 -0.170 4.567 -0.278 1.00 63.41 H new ATOM 0 HB2 TRP A 37 -1.406 2.148 -1.639 1.00 51.25 H new ATOM 0 HB3 TRP A 37 -1.736 3.792 -2.150 1.00 51.25 H new ATOM 0 HD1 TRP A 37 1.890 3.162 -1.134 1.00 55.02 H new ATOM 0 HE1 TRP A 37 3.402 3.094 -3.220 1.00 24.54 H new ATOM 0 HE3 TRP A 37 -1.760 3.062 -4.703 1.00 72.34 H new ATOM 0 HZ2 TRP A 37 3.059 3.002 -5.989 1.00 41.23 H new ATOM 0 HZ3 TRP A 37 -1.079 2.998 -7.065 1.00 70.12 H new ATOM 0 HH2 TRP A 37 1.299 2.962 -7.696 1.00 52.25 H new ATOM 574 N GLN A 38 -2.759 2.939 1.000 1.00 2.33 N ATOM 575 CA GLN A 38 -4.044 3.083 1.723 1.00 0.45 C ATOM 576 C GLN A 38 -3.866 3.738 3.111 1.00 42.50 C ATOM 577 O GLN A 38 -4.829 4.258 3.669 1.00 54.34 O ATOM 578 CB GLN A 38 -4.744 1.697 1.833 1.00 34.22 C ATOM 579 CG GLN A 38 -5.465 1.256 0.545 1.00 0.11 C ATOM 580 CD GLN A 38 -5.891 -0.211 0.549 1.00 4.21 C ATOM 581 OE1 GLN A 38 -6.948 -0.567 1.063 1.00 30.10 O ATOM 582 NE2 GLN A 38 -5.098 -1.070 -0.077 1.00 60.33 N ATOM 0 H GLN A 38 -2.423 1.977 0.950 1.00 2.33 H new ATOM 0 HA GLN A 38 -4.680 3.756 1.149 1.00 0.45 H new ATOM 0 HB2 GLN A 38 -4.000 0.945 2.096 1.00 34.22 H new ATOM 0 HB3 GLN A 38 -5.466 1.730 2.649 1.00 34.22 H new ATOM 0 HG2 GLN A 38 -6.347 1.880 0.401 1.00 0.11 H new ATOM 0 HG3 GLN A 38 -4.808 1.432 -0.307 1.00 0.11 H new ATOM 0 HE21 GLN A 38 -4.225 -0.747 -0.495 1.00 60.33 H new ATOM 0 HE22 GLN A 38 -5.361 -2.054 -0.140 1.00 60.33 H new ATOM 591 N GLN A 39 -2.635 3.702 3.654 1.00 42.33 N ATOM 592 CA GLN A 39 -2.293 4.323 4.951 1.00 41.25 C ATOM 593 C GLN A 39 -1.927 5.808 4.763 1.00 20.24 C ATOM 594 O GLN A 39 -2.453 6.686 5.458 1.00 61.30 O ATOM 595 CB GLN A 39 -1.128 3.540 5.620 1.00 0.45 C ATOM 596 CG GLN A 39 -1.495 2.097 6.027 1.00 74.12 C ATOM 597 CD GLN A 39 -0.313 1.293 6.573 1.00 64.34 C ATOM 598 OE1 GLN A 39 0.413 0.636 5.821 1.00 21.00 O ATOM 599 NE2 GLN A 39 -0.109 1.333 7.881 1.00 41.43 N ATOM 0 H GLN A 39 -1.845 3.240 3.205 1.00 42.33 H new ATOM 0 HA GLN A 39 -3.163 4.277 5.606 1.00 41.25 H new ATOM 0 HB2 GLN A 39 -0.283 3.509 4.933 1.00 0.45 H new ATOM 0 HB3 GLN A 39 -0.799 4.084 6.505 1.00 0.45 H new ATOM 0 HG2 GLN A 39 -2.280 2.130 6.782 1.00 74.12 H new ATOM 0 HG3 GLN A 39 -1.907 1.578 5.161 1.00 74.12 H new ATOM 0 HE21 GLN A 39 -0.726 1.885 8.477 1.00 41.43 H new ATOM 0 HE22 GLN A 39 0.665 0.812 8.293 1.00 41.43 H new ATOM 608 N LEU A 40 -1.032 6.074 3.795 1.00 3.11 N ATOM 609 CA LEU A 40 -0.531 7.424 3.493 1.00 53.24 C ATOM 610 C LEU A 40 -1.631 8.285 2.845 1.00 52.00 C ATOM 611 O LEU A 40 -1.989 9.344 3.377 1.00 33.43 O ATOM 612 CB LEU A 40 0.728 7.322 2.580 1.00 74.24 C ATOM 613 CG LEU A 40 2.097 7.065 3.298 1.00 21.41 C ATOM 614 CD1 LEU A 40 2.541 8.293 4.129 1.00 42.35 C ATOM 615 CD2 LEU A 40 2.076 5.786 4.169 1.00 42.14 C ATOM 0 H LEU A 40 -0.634 5.351 3.196 1.00 3.11 H new ATOM 0 HA LEU A 40 -0.244 7.916 4.423 1.00 53.24 H new ATOM 0 HB2 LEU A 40 0.564 6.518 1.862 1.00 74.24 H new ATOM 0 HB3 LEU A 40 0.811 8.247 2.010 1.00 74.24 H new ATOM 0 HG LEU A 40 2.834 6.904 2.511 1.00 21.41 H new ATOM 0 HD11 LEU A 40 3.494 8.079 4.613 1.00 42.35 H new ATOM 0 HD12 LEU A 40 2.653 9.156 3.472 1.00 42.35 H new ATOM 0 HD13 LEU A 40 1.789 8.510 4.888 1.00 42.35 H new ATOM 0 HD21 LEU A 40 3.048 5.654 4.644 1.00 42.14 H new ATOM 0 HD22 LEU A 40 1.307 5.880 4.936 1.00 42.14 H new ATOM 0 HD23 LEU A 40 1.858 4.922 3.541 1.00 42.14 H new ATOM 627 N LEU A 41 -2.182 7.806 1.712 1.00 35.22 N ATOM 628 CA LEU A 41 -3.261 8.512 0.985 1.00 70.23 C ATOM 629 C LEU A 41 -4.588 8.456 1.776 1.00 33.32 C ATOM 630 O LEU A 41 -5.471 9.294 1.562 1.00 54.24 O ATOM 631 CB LEU A 41 -3.472 7.899 -0.426 1.00 41.42 C ATOM 632 CG LEU A 41 -2.240 7.832 -1.363 1.00 74.03 C ATOM 633 CD1 LEU A 41 -2.573 7.119 -2.693 1.00 24.14 C ATOM 634 CD2 LEU A 41 -1.653 9.237 -1.596 1.00 12.04 C ATOM 0 H LEU A 41 -1.897 6.929 1.277 1.00 35.22 H new ATOM 0 HA LEU A 41 -2.957 9.553 0.877 1.00 70.23 H new ATOM 0 HB2 LEU A 41 -3.855 6.886 -0.300 1.00 41.42 H new ATOM 0 HB3 LEU A 41 -4.249 8.473 -0.931 1.00 41.42 H new ATOM 0 HG LEU A 41 -1.476 7.232 -0.869 1.00 74.03 H new ATOM 0 HD11 LEU A 41 -1.684 7.092 -3.324 1.00 24.14 H new ATOM 0 HD12 LEU A 41 -2.903 6.101 -2.487 1.00 24.14 H new ATOM 0 HD13 LEU A 41 -3.366 7.661 -3.208 1.00 24.14 H new ATOM 0 HD21 LEU A 41 -0.789 9.165 -2.257 1.00 12.04 H new ATOM 0 HD22 LEU A 41 -2.408 9.875 -2.054 1.00 12.04 H new ATOM 0 HD23 LEU A 41 -1.346 9.666 -0.642 1.00 12.04 H new ATOM 646 N SER A 42 -4.709 7.444 2.665 1.00 20.12 N ATOM 647 CA SER A 42 -5.880 7.247 3.543 1.00 20.24 C ATOM 648 C SER A 42 -7.148 6.969 2.704 1.00 22.53 C ATOM 649 O SER A 42 -8.172 7.649 2.830 1.00 31.52 O ATOM 650 CB SER A 42 -6.052 8.452 4.506 1.00 50.24 C ATOM 651 OG SER A 42 -4.841 8.702 5.210 1.00 21.51 O ATOM 0 H SER A 42 -3.987 6.735 2.793 1.00 20.12 H new ATOM 0 HA SER A 42 -5.713 6.368 4.166 1.00 20.24 H new ATOM 0 HB2 SER A 42 -6.341 9.338 3.941 1.00 50.24 H new ATOM 0 HB3 SER A 42 -6.856 8.248 5.213 1.00 50.24 H new ATOM 0 HG SER A 42 -4.249 7.925 5.128 1.00 21.51 H new ATOM 657 N THR A 43 -7.041 5.949 1.839 1.00 74.42 N ATOM 658 CA THR A 43 -8.060 5.620 0.825 1.00 15.14 C ATOM 659 C THR A 43 -8.873 4.374 1.214 1.00 0.14 C ATOM 660 O THR A 43 -8.629 3.765 2.267 1.00 71.40 O ATOM 661 CB THR A 43 -7.366 5.378 -0.554 1.00 13.14 C ATOM 662 OG1 THR A 43 -6.453 4.271 -0.466 1.00 63.00 O ATOM 663 CG2 THR A 43 -6.596 6.620 -1.015 1.00 3.04 C ATOM 0 H THR A 43 -6.237 5.322 1.822 1.00 74.42 H new ATOM 0 HA THR A 43 -8.748 6.462 0.759 1.00 15.14 H new ATOM 0 HB THR A 43 -8.149 5.157 -1.280 1.00 13.14 H new ATOM 0 HG1 THR A 43 -5.641 4.475 -0.975 1.00 63.00 H new ATOM 0 HG21 THR A 43 -6.125 6.420 -1.977 1.00 3.04 H new ATOM 0 HG22 THR A 43 -7.285 7.459 -1.116 1.00 3.04 H new ATOM 0 HG23 THR A 43 -5.830 6.867 -0.280 1.00 3.04 H new ATOM 671 N GLY A 44 -9.845 4.015 0.350 1.00 53.13 N ATOM 672 CA GLY A 44 -10.656 2.815 0.522 1.00 64.52 C ATOM 673 C GLY A 44 -9.888 1.551 0.157 1.00 21.32 C ATOM 674 O GLY A 44 -9.519 0.777 1.037 1.00 0.01 O ATOM 0 H GLY A 44 -10.081 4.555 -0.482 1.00 53.13 H new ATOM 0 HA2 GLY A 44 -10.992 2.749 1.557 1.00 64.52 H new ATOM 0 HA3 GLY A 44 -11.549 2.889 -0.099 1.00 64.52 H new ATOM 678 N ASN A 45 -9.618 1.372 -1.151 1.00 43.32 N ATOM 679 CA ASN A 45 -8.828 0.240 -1.689 1.00 33.54 C ATOM 680 C ASN A 45 -8.063 0.701 -2.941 1.00 32.40 C ATOM 681 O ASN A 45 -8.661 1.279 -3.855 1.00 42.11 O ATOM 682 CB ASN A 45 -9.725 -0.994 -2.045 1.00 62.20 C ATOM 683 CG ASN A 45 -10.289 -1.769 -0.844 1.00 2.21 C ATOM 684 OD1 ASN A 45 -11.418 -2.276 -0.877 1.00 4.40 O ATOM 685 ND2 ASN A 45 -9.498 -1.918 0.217 1.00 11.40 N ATOM 0 H ASN A 45 -9.944 2.014 -1.873 1.00 43.32 H new ATOM 0 HA ASN A 45 -8.131 -0.076 -0.913 1.00 33.54 H new ATOM 0 HB2 ASN A 45 -10.559 -0.651 -2.658 1.00 62.20 H new ATOM 0 HB3 ASN A 45 -9.141 -1.681 -2.657 1.00 62.20 H new ATOM 0 HD21 ASN A 45 -9.819 -2.457 1.021 1.00 11.40 H new ATOM 0 HD22 ASN A 45 -8.571 -1.493 0.226 1.00 11.40 H new ATOM 692 N VAL A 46 -6.739 0.464 -2.960 1.00 23.21 N ATOM 693 CA VAL A 46 -5.890 0.674 -4.154 1.00 42.32 C ATOM 694 C VAL A 46 -5.464 -0.699 -4.715 1.00 61.44 C ATOM 695 O VAL A 46 -5.239 -1.653 -3.952 1.00 22.00 O ATOM 696 CB VAL A 46 -4.626 1.569 -3.847 1.00 5.41 C ATOM 697 CG1 VAL A 46 -5.034 2.995 -3.413 1.00 5.20 C ATOM 698 CG2 VAL A 46 -3.713 0.910 -2.795 1.00 21.14 C ATOM 0 H VAL A 46 -6.224 0.121 -2.149 1.00 23.21 H new ATOM 0 HA VAL A 46 -6.476 1.215 -4.897 1.00 42.32 H new ATOM 0 HB VAL A 46 -4.058 1.655 -4.773 1.00 5.41 H new ATOM 0 HG11 VAL A 46 -4.139 3.583 -3.210 1.00 5.20 H new ATOM 0 HG12 VAL A 46 -5.606 3.468 -4.211 1.00 5.20 H new ATOM 0 HG13 VAL A 46 -5.645 2.940 -2.512 1.00 5.20 H new ATOM 0 HG21 VAL A 46 -2.852 1.552 -2.607 1.00 21.14 H new ATOM 0 HG22 VAL A 46 -4.269 0.768 -1.868 1.00 21.14 H new ATOM 0 HG23 VAL A 46 -3.371 -0.057 -3.165 1.00 21.14 H new ATOM 708 N THR A 47 -5.355 -0.794 -6.045 1.00 73.01 N ATOM 709 CA THR A 47 -5.149 -2.071 -6.761 1.00 43.44 C ATOM 710 C THR A 47 -3.951 -1.979 -7.729 1.00 65.32 C ATOM 711 O THR A 47 -3.313 -0.932 -7.817 1.00 75.51 O ATOM 712 CB THR A 47 -6.463 -2.463 -7.511 1.00 32.54 C ATOM 713 OG1 THR A 47 -6.931 -1.353 -8.288 1.00 12.41 O ATOM 714 CG2 THR A 47 -7.563 -2.908 -6.537 1.00 33.43 C ATOM 0 H THR A 47 -5.407 0.015 -6.664 1.00 73.01 H new ATOM 0 HA THR A 47 -4.913 -2.852 -6.038 1.00 43.44 H new ATOM 0 HB THR A 47 -6.232 -3.304 -8.165 1.00 32.54 H new ATOM 0 HG1 THR A 47 -6.342 -0.583 -8.145 1.00 12.41 H new ATOM 0 HG21 THR A 47 -8.460 -3.172 -7.097 1.00 33.43 H new ATOM 0 HG22 THR A 47 -7.220 -3.775 -5.972 1.00 33.43 H new ATOM 0 HG23 THR A 47 -7.791 -2.094 -5.849 1.00 33.43 H new ATOM 722 N ARG A 48 -3.678 -3.077 -8.470 1.00 44.13 N ATOM 723 CA ARG A 48 -2.440 -3.239 -9.271 1.00 34.10 C ATOM 724 C ARG A 48 -2.267 -2.152 -10.363 1.00 73.05 C ATOM 725 O ARG A 48 -1.135 -1.752 -10.667 1.00 4.03 O ATOM 726 CB ARG A 48 -2.397 -4.654 -9.907 1.00 62.33 C ATOM 727 CG ARG A 48 -3.452 -4.908 -11.009 1.00 43.32 C ATOM 728 CD ARG A 48 -3.354 -6.317 -11.617 1.00 52.31 C ATOM 729 NE ARG A 48 -1.978 -6.641 -12.058 1.00 60.02 N ATOM 730 CZ ARG A 48 -1.488 -6.463 -13.298 1.00 75.14 C ATOM 731 NH1 ARG A 48 -2.244 -5.963 -14.277 1.00 61.32 N1+ ATOM 732 NH2 ARG A 48 -0.228 -6.774 -13.548 1.00 4.42 N ATOM 0 H ARG A 48 -4.309 -3.876 -8.530 1.00 44.13 H new ATOM 0 HA ARG A 48 -1.605 -3.117 -8.581 1.00 34.10 H new ATOM 0 HB2 ARG A 48 -1.406 -4.816 -10.330 1.00 62.33 H new ATOM 0 HB3 ARG A 48 -2.532 -5.394 -9.119 1.00 62.33 H new ATOM 0 HG2 ARG A 48 -4.449 -4.767 -10.591 1.00 43.32 H new ATOM 0 HG3 ARG A 48 -3.330 -4.167 -11.799 1.00 43.32 H new ATOM 0 HD2 ARG A 48 -3.680 -7.052 -10.881 1.00 52.31 H new ATOM 0 HD3 ARG A 48 -4.033 -6.393 -12.466 1.00 52.31 H new ATOM 0 HE ARG A 48 -1.346 -7.034 -11.360 1.00 60.02 H new ATOM 0 HH11 ARG A 48 -3.214 -5.707 -14.092 1.00 61.32 H new ATOM 0 HH12 ARG A 48 -1.852 -5.836 -15.210 1.00 61.32 H new ATOM 0 HH21 ARG A 48 0.363 -7.145 -12.804 1.00 4.42 H new ATOM 0 HH22 ARG A 48 0.153 -6.643 -14.485 1.00 4.42 H new ATOM 746 N GLU A 49 -3.388 -1.677 -10.949 1.00 22.03 N ATOM 747 CA GLU A 49 -3.353 -0.632 -11.998 1.00 45.22 C ATOM 748 C GLU A 49 -3.783 0.742 -11.466 1.00 23.22 C ATOM 749 O GLU A 49 -4.007 1.669 -12.255 1.00 41.24 O ATOM 750 CB GLU A 49 -4.205 -1.030 -13.237 1.00 62.41 C ATOM 751 CG GLU A 49 -3.621 -2.179 -14.085 1.00 31.43 C ATOM 752 CD GLU A 49 -4.227 -2.237 -15.500 1.00 0.21 C ATOM 753 OE1 GLU A 49 -3.553 -1.822 -16.465 1.00 1.05 O ATOM 754 OE2 GLU A 49 -5.386 -2.684 -15.650 1.00 70.13 O1- ATOM 0 H GLU A 49 -4.327 -1.999 -10.714 1.00 22.03 H new ATOM 0 HA GLU A 49 -2.313 -0.551 -12.314 1.00 45.22 H new ATOM 0 HB2 GLU A 49 -5.200 -1.318 -12.898 1.00 62.41 H new ATOM 0 HB3 GLU A 49 -4.326 -0.153 -13.873 1.00 62.41 H new ATOM 0 HG2 GLU A 49 -2.541 -2.057 -14.161 1.00 31.43 H new ATOM 0 HG3 GLU A 49 -3.800 -3.127 -13.578 1.00 31.43 H new ATOM 761 N THR A 50 -3.909 0.873 -10.146 1.00 30.42 N ATOM 762 CA THR A 50 -4.028 2.187 -9.511 1.00 25.33 C ATOM 763 C THR A 50 -2.630 2.823 -9.463 1.00 63.25 C ATOM 764 O THR A 50 -1.659 2.157 -9.074 1.00 33.52 O ATOM 765 CB THR A 50 -4.616 2.078 -8.068 1.00 55.31 C ATOM 766 OG1 THR A 50 -5.870 1.371 -8.113 1.00 31.21 O ATOM 767 CG2 THR A 50 -4.830 3.458 -7.409 1.00 50.50 C ATOM 0 H THR A 50 -3.931 0.088 -9.496 1.00 30.42 H new ATOM 0 HA THR A 50 -4.713 2.804 -10.092 1.00 25.33 H new ATOM 0 HB THR A 50 -3.890 1.536 -7.462 1.00 55.31 H new ATOM 0 HG1 THR A 50 -6.451 1.689 -7.390 1.00 31.21 H new ATOM 0 HG21 THR A 50 -5.240 3.324 -6.408 1.00 50.50 H new ATOM 0 HG22 THR A 50 -3.876 3.982 -7.343 1.00 50.50 H new ATOM 0 HG23 THR A 50 -5.525 4.044 -8.010 1.00 50.50 H new ATOM 775 N ASP A 51 -2.525 4.085 -9.900 1.00 54.25 N ATOM 776 CA ASP A 51 -1.279 4.857 -9.802 1.00 54.15 C ATOM 777 C ASP A 51 -1.326 5.676 -8.512 1.00 2.24 C ATOM 778 O ASP A 51 -2.414 6.076 -8.060 1.00 73.44 O ATOM 779 CB ASP A 51 -1.080 5.810 -11.018 1.00 63.35 C ATOM 780 CG ASP A 51 -1.261 5.134 -12.387 1.00 21.41 C ATOM 781 OD1 ASP A 51 -2.418 4.933 -12.818 1.00 73.24 O ATOM 782 OD2 ASP A 51 -0.247 4.824 -13.048 1.00 14.11 O1- ATOM 0 H ASP A 51 -3.296 4.597 -10.329 1.00 54.25 H new ATOM 0 HA ASP A 51 -0.439 4.162 -9.798 1.00 54.15 H new ATOM 0 HB2 ASP A 51 -1.787 6.636 -10.937 1.00 63.35 H new ATOM 0 HB3 ASP A 51 -0.080 6.240 -10.968 1.00 63.35 H new ATOM 787 N PHE A 52 -0.151 5.929 -7.922 1.00 15.33 N ATOM 788 CA PHE A 52 -0.025 6.770 -6.722 1.00 23.21 C ATOM 789 C PHE A 52 -0.553 8.188 -7.026 1.00 74.55 C ATOM 790 O PHE A 52 -1.301 8.780 -6.241 1.00 35.40 O ATOM 791 CB PHE A 52 1.457 6.812 -6.270 1.00 13.50 C ATOM 792 CG PHE A 52 1.697 7.572 -4.972 1.00 55.14 C ATOM 793 CD1 PHE A 52 1.406 6.980 -3.742 1.00 1.13 C ATOM 794 CD2 PHE A 52 2.201 8.875 -4.975 1.00 14.22 C ATOM 795 CE1 PHE A 52 1.608 7.662 -2.565 1.00 74.22 C ATOM 796 CE2 PHE A 52 2.402 9.553 -3.793 1.00 12.12 C ATOM 797 CZ PHE A 52 2.105 8.948 -2.591 1.00 55.42 C ATOM 0 H PHE A 52 0.737 5.559 -8.261 1.00 15.33 H new ATOM 0 HA PHE A 52 -0.619 6.349 -5.911 1.00 23.21 H new ATOM 0 HB2 PHE A 52 1.817 5.790 -6.150 1.00 13.50 H new ATOM 0 HB3 PHE A 52 2.052 7.269 -7.060 1.00 13.50 H new ATOM 0 HD1 PHE A 52 1.017 5.973 -3.714 1.00 1.13 H new ATOM 0 HD2 PHE A 52 2.435 9.355 -5.913 1.00 14.22 H new ATOM 0 HE1 PHE A 52 1.378 7.191 -1.621 1.00 74.22 H new ATOM 0 HE2 PHE A 52 2.793 10.560 -3.808 1.00 12.12 H new ATOM 0 HZ PHE A 52 2.262 9.483 -1.666 1.00 55.42 H new ATOM 807 N PHE A 53 -0.190 8.671 -8.221 1.00 45.50 N ATOM 808 CA PHE A 53 -0.522 10.018 -8.704 1.00 72.24 C ATOM 809 C PHE A 53 -1.963 10.072 -9.276 1.00 45.11 C ATOM 810 O PHE A 53 -2.561 11.150 -9.338 1.00 52.24 O ATOM 811 CB PHE A 53 0.534 10.459 -9.758 1.00 3.44 C ATOM 812 CG PHE A 53 1.975 10.444 -9.227 1.00 60.41 C ATOM 813 CD1 PHE A 53 2.755 9.282 -9.288 1.00 22.42 C ATOM 814 CD2 PHE A 53 2.538 11.578 -8.635 1.00 24.44 C ATOM 815 CE1 PHE A 53 4.040 9.262 -8.779 1.00 54.35 C ATOM 816 CE2 PHE A 53 3.826 11.555 -8.131 1.00 64.41 C ATOM 817 CZ PHE A 53 4.575 10.394 -8.198 1.00 3.13 C ATOM 0 H PHE A 53 0.353 8.127 -8.892 1.00 45.50 H new ATOM 0 HA PHE A 53 -0.494 10.716 -7.867 1.00 72.24 H new ATOM 0 HB2 PHE A 53 0.468 9.800 -10.624 1.00 3.44 H new ATOM 0 HB3 PHE A 53 0.293 11.465 -10.103 1.00 3.44 H new ATOM 0 HD1 PHE A 53 2.347 8.390 -9.739 1.00 22.42 H new ATOM 0 HD2 PHE A 53 1.958 12.487 -8.570 1.00 24.44 H new ATOM 0 HE1 PHE A 53 4.627 8.358 -8.836 1.00 54.35 H new ATOM 0 HE2 PHE A 53 4.247 12.444 -7.685 1.00 64.41 H new ATOM 0 HZ PHE A 53 5.577 10.373 -7.796 1.00 3.13 H new ATOM 827 N GLN A 54 -2.510 8.894 -9.664 1.00 1.01 N ATOM 828 CA GLN A 54 -3.922 8.741 -10.126 1.00 74.21 C ATOM 829 C GLN A 54 -4.890 9.111 -8.998 1.00 71.10 C ATOM 830 O GLN A 54 -5.903 9.782 -9.215 1.00 22.35 O ATOM 831 CB GLN A 54 -4.191 7.271 -10.555 1.00 70.42 C ATOM 832 CG GLN A 54 -5.594 6.940 -11.104 1.00 2.40 C ATOM 833 CD GLN A 54 -5.834 5.429 -11.246 1.00 13.42 C ATOM 834 OE1 GLN A 54 -5.380 4.843 -12.343 1.00 42.14 O flip ATOM 835 NE2 GLN A 54 -6.364 4.781 -10.341 1.00 41.44 N flip ATOM 0 H GLN A 54 -1.988 8.018 -9.667 1.00 1.01 H new ATOM 0 HA GLN A 54 -4.077 9.405 -10.976 1.00 74.21 H new ATOM 0 HB2 GLN A 54 -3.459 7.002 -11.316 1.00 70.42 H new ATOM 0 HB3 GLN A 54 -4.006 6.629 -9.694 1.00 70.42 H new ATOM 0 HG2 GLN A 54 -6.348 7.363 -10.440 1.00 2.40 H new ATOM 0 HG3 GLN A 54 -5.721 7.417 -12.076 1.00 2.40 H new ATOM 0 HE21 GLN A 54 -6.706 5.257 -9.506 1.00 41.44 H new ATOM 0 HE22 GLN A 54 -6.461 3.769 -10.427 1.00 41.44 H new ATOM 844 N GLN A 55 -4.529 8.668 -7.784 1.00 65.50 N ATOM 845 CA GLN A 55 -5.342 8.848 -6.571 1.00 4.31 C ATOM 846 C GLN A 55 -5.072 10.236 -5.923 1.00 22.01 C ATOM 847 O GLN A 55 -5.598 10.545 -4.852 1.00 34.43 O ATOM 848 CB GLN A 55 -5.039 7.676 -5.589 1.00 23.10 C ATOM 849 CG GLN A 55 -6.071 7.493 -4.454 1.00 62.41 C ATOM 850 CD GLN A 55 -7.480 7.126 -4.945 1.00 45.42 C ATOM 851 OE1 GLN A 55 -7.645 6.442 -5.959 1.00 53.43 O ATOM 852 NE2 GLN A 55 -8.509 7.582 -4.237 1.00 21.41 N ATOM 0 H GLN A 55 -3.655 8.169 -7.615 1.00 65.50 H new ATOM 0 HA GLN A 55 -6.401 8.827 -6.827 1.00 4.31 H new ATOM 0 HB2 GLN A 55 -4.981 6.749 -6.160 1.00 23.10 H new ATOM 0 HB3 GLN A 55 -4.057 7.839 -5.144 1.00 23.10 H new ATOM 0 HG2 GLN A 55 -5.718 6.714 -3.778 1.00 62.41 H new ATOM 0 HG3 GLN A 55 -6.127 8.415 -3.876 1.00 62.41 H new ATOM 0 HE21 GLN A 55 -8.344 8.145 -3.403 1.00 21.41 H new ATOM 0 HE22 GLN A 55 -9.463 7.368 -4.528 1.00 21.41 H new ATOM 861 N GLY A 56 -4.249 11.071 -6.591 1.00 32.24 N ATOM 862 CA GLY A 56 -3.987 12.448 -6.144 1.00 41.52 C ATOM 863 C GLY A 56 -2.750 12.575 -5.267 1.00 33.41 C ATOM 864 O GLY A 56 -2.484 13.653 -4.730 1.00 14.03 O ATOM 0 H GLY A 56 -3.755 10.811 -7.444 1.00 32.24 H new ATOM 0 HA2 GLY A 56 -3.871 13.090 -7.018 1.00 41.52 H new ATOM 0 HA3 GLY A 56 -4.853 12.814 -5.593 1.00 41.52 H new ATOM 868 N GLY A 57 -2.000 11.466 -5.118 1.00 3.33 N ATOM 869 CA GLY A 57 -0.746 11.470 -4.364 1.00 61.32 C ATOM 870 C GLY A 57 0.333 12.282 -5.061 1.00 54.21 C ATOM 871 O GLY A 57 0.562 12.102 -6.261 1.00 41.51 O ATOM 0 H GLY A 57 -2.247 10.559 -5.513 1.00 3.33 H new ATOM 0 HA2 GLY A 57 -0.922 11.879 -3.369 1.00 61.32 H new ATOM 0 HA3 GLY A 57 -0.400 10.445 -4.231 1.00 61.32 H new ATOM 875 N ASP A 58 0.999 13.169 -4.312 1.00 1.54 N ATOM 876 CA ASP A 58 1.999 14.112 -4.866 1.00 52.00 C ATOM 877 C ASP A 58 3.430 13.612 -4.584 1.00 42.45 C ATOM 878 O ASP A 58 3.625 12.759 -3.726 1.00 2.52 O ATOM 879 CB ASP A 58 1.773 15.519 -4.246 1.00 33.24 C ATOM 880 CG ASP A 58 2.679 16.607 -4.856 1.00 13.43 C ATOM 881 OD1 ASP A 58 3.709 16.952 -4.249 1.00 33.43 O ATOM 882 OD2 ASP A 58 2.384 17.087 -5.972 1.00 24.25 O1- ATOM 0 H ASP A 58 0.866 13.259 -3.305 1.00 1.54 H new ATOM 0 HA ASP A 58 1.877 14.175 -5.947 1.00 52.00 H new ATOM 0 HB2 ASP A 58 0.730 15.806 -4.383 1.00 33.24 H new ATOM 0 HB3 ASP A 58 1.951 15.468 -3.172 1.00 33.24 H new ATOM 887 N SER A 59 4.414 14.179 -5.314 1.00 60.21 N ATOM 888 CA SER A 59 5.855 13.888 -5.162 1.00 54.11 C ATOM 889 C SER A 59 6.369 14.075 -3.709 1.00 51.42 C ATOM 890 O SER A 59 7.287 13.373 -3.281 1.00 32.40 O ATOM 891 CB SER A 59 6.643 14.803 -6.122 1.00 62.22 C ATOM 892 OG SER A 59 6.365 16.174 -5.856 1.00 1.02 O ATOM 0 H SER A 59 4.224 14.868 -6.042 1.00 60.21 H new ATOM 0 HA SER A 59 6.009 12.837 -5.405 1.00 54.11 H new ATOM 0 HB2 SER A 59 7.712 14.616 -6.014 1.00 62.22 H new ATOM 0 HB3 SER A 59 6.381 14.568 -7.153 1.00 62.22 H new ATOM 0 HG SER A 59 6.876 16.737 -6.474 1.00 1.02 H new ATOM 898 N LEU A 60 5.761 15.031 -2.971 1.00 4.34 N ATOM 899 CA LEU A 60 6.087 15.325 -1.553 1.00 53.11 C ATOM 900 C LEU A 60 5.719 14.101 -0.684 1.00 0.24 C ATOM 901 O LEU A 60 6.539 13.575 0.075 1.00 11.31 O ATOM 902 CB LEU A 60 5.291 16.607 -1.104 1.00 71.23 C ATOM 903 CG LEU A 60 5.869 17.463 0.081 1.00 73.24 C ATOM 904 CD1 LEU A 60 5.972 16.680 1.413 1.00 73.34 C ATOM 905 CD2 LEU A 60 7.218 18.101 -0.319 1.00 2.34 C ATOM 0 H LEU A 60 5.023 15.627 -3.345 1.00 4.34 H new ATOM 0 HA LEU A 60 7.153 15.519 -1.434 1.00 53.11 H new ATOM 0 HB2 LEU A 60 5.196 17.260 -1.971 1.00 71.23 H new ATOM 0 HB3 LEU A 60 4.284 16.294 -0.828 1.00 71.23 H new ATOM 0 HG LEU A 60 5.152 18.262 0.272 1.00 73.24 H new ATOM 0 HD11 LEU A 60 6.378 17.331 2.187 1.00 73.34 H new ATOM 0 HD12 LEU A 60 4.981 16.337 1.711 1.00 73.34 H new ATOM 0 HD13 LEU A 60 6.629 15.821 1.280 1.00 73.34 H new ATOM 0 HD21 LEU A 60 7.603 18.690 0.514 1.00 2.34 H new ATOM 0 HD22 LEU A 60 7.932 17.316 -0.569 1.00 2.34 H new ATOM 0 HD23 LEU A 60 7.072 18.748 -1.184 1.00 2.34 H new ATOM 917 N LEU A 61 4.460 13.667 -0.851 1.00 23.13 N ATOM 918 CA LEU A 61 3.884 12.486 -0.185 1.00 75.35 C ATOM 919 C LEU A 61 4.644 11.209 -0.634 1.00 3.34 C ATOM 920 O LEU A 61 4.827 10.272 0.145 1.00 4.34 O ATOM 921 CB LEU A 61 2.358 12.413 -0.540 1.00 22.23 C ATOM 922 CG LEU A 61 1.391 11.815 0.530 1.00 3.41 C ATOM 923 CD1 LEU A 61 -0.082 12.034 0.126 1.00 30.44 C ATOM 924 CD2 LEU A 61 1.668 10.326 0.806 1.00 32.52 C ATOM 0 H LEU A 61 3.798 14.138 -1.467 1.00 23.13 H new ATOM 0 HA LEU A 61 3.987 12.561 0.897 1.00 75.35 H new ATOM 0 HB2 LEU A 61 2.019 13.423 -0.771 1.00 22.23 H new ATOM 0 HB3 LEU A 61 2.254 11.825 -1.452 1.00 22.23 H new ATOM 0 HG LEU A 61 1.579 12.351 1.460 1.00 3.41 H new ATOM 0 HD11 LEU A 61 -0.735 11.608 0.888 1.00 30.44 H new ATOM 0 HD12 LEU A 61 -0.279 13.102 0.034 1.00 30.44 H new ATOM 0 HD13 LEU A 61 -0.273 11.546 -0.830 1.00 30.44 H new ATOM 0 HD21 LEU A 61 0.969 9.959 1.557 1.00 32.52 H new ATOM 0 HD22 LEU A 61 1.544 9.756 -0.115 1.00 32.52 H new ATOM 0 HD23 LEU A 61 2.688 10.207 1.171 1.00 32.52 H new ATOM 936 N ALA A 62 5.116 11.232 -1.888 1.00 33.11 N ATOM 937 CA ALA A 62 5.831 10.118 -2.525 1.00 42.11 C ATOM 938 C ALA A 62 7.249 9.942 -1.958 1.00 72.13 C ATOM 939 O ALA A 62 7.783 8.830 -1.959 1.00 22.43 O ATOM 940 CB ALA A 62 5.873 10.361 -4.030 1.00 71.54 C ATOM 0 H ALA A 62 5.009 12.041 -2.500 1.00 33.11 H new ATOM 0 HA ALA A 62 5.297 9.192 -2.312 1.00 42.11 H new ATOM 0 HB1 ALA A 62 6.401 9.541 -4.516 1.00 71.54 H new ATOM 0 HB2 ALA A 62 4.856 10.418 -4.418 1.00 71.54 H new ATOM 0 HB3 ALA A 62 6.392 11.298 -4.233 1.00 71.54 H new ATOM 946 N THR A 63 7.851 11.052 -1.496 1.00 51.40 N ATOM 947 CA THR A 63 9.145 11.040 -0.785 1.00 42.43 C ATOM 948 C THR A 63 9.003 10.290 0.561 1.00 34.11 C ATOM 949 O THR A 63 9.886 9.534 0.973 1.00 41.22 O ATOM 950 CB THR A 63 9.656 12.508 -0.560 1.00 51.23 C ATOM 951 OG1 THR A 63 9.856 13.149 -1.835 1.00 2.45 O ATOM 952 CG2 THR A 63 10.970 12.579 0.243 1.00 61.44 C ATOM 0 H THR A 63 7.454 11.985 -1.605 1.00 51.40 H new ATOM 0 HA THR A 63 9.881 10.515 -1.394 1.00 42.43 H new ATOM 0 HB THR A 63 8.890 13.019 0.024 1.00 51.23 H new ATOM 0 HG1 THR A 63 8.999 13.216 -2.305 1.00 2.45 H new ATOM 0 HG21 THR A 63 11.267 13.621 0.363 1.00 61.44 H new ATOM 0 HG22 THR A 63 10.821 12.129 1.225 1.00 61.44 H new ATOM 0 HG23 THR A 63 11.752 12.037 -0.290 1.00 61.44 H new ATOM 960 N ARG A 64 7.843 10.476 1.208 1.00 32.53 N ATOM 961 CA ARG A 64 7.506 9.812 2.476 1.00 54.11 C ATOM 962 C ARG A 64 7.089 8.349 2.238 1.00 75.34 C ATOM 963 O ARG A 64 7.364 7.485 3.064 1.00 4.55 O ATOM 964 CB ARG A 64 6.373 10.597 3.180 1.00 3.03 C ATOM 965 CG ARG A 64 6.728 12.074 3.462 1.00 44.35 C ATOM 966 CD ARG A 64 5.583 12.845 4.123 1.00 12.02 C ATOM 967 NE ARG A 64 5.959 14.236 4.418 1.00 13.42 N ATOM 968 CZ ARG A 64 5.105 15.208 4.771 1.00 34.45 C ATOM 969 NH1 ARG A 64 3.797 14.963 4.882 1.00 52.03 N1+ ATOM 970 NH2 ARG A 64 5.558 16.437 5.004 1.00 4.03 N ATOM 0 H ARG A 64 7.108 11.095 0.864 1.00 32.53 H new ATOM 0 HA ARG A 64 8.388 9.802 3.117 1.00 54.11 H new ATOM 0 HB2 ARG A 64 5.477 10.559 2.561 1.00 3.03 H new ATOM 0 HB3 ARG A 64 6.131 10.104 4.121 1.00 3.03 H new ATOM 0 HG2 ARG A 64 7.606 12.115 4.106 1.00 44.35 H new ATOM 0 HG3 ARG A 64 6.996 12.563 2.526 1.00 44.35 H new ATOM 0 HD2 ARG A 64 4.712 12.835 3.467 1.00 12.02 H new ATOM 0 HD3 ARG A 64 5.293 12.344 5.046 1.00 12.02 H new ATOM 0 HE ARG A 64 6.947 14.481 4.349 1.00 13.42 H new ATOM 0 HH11 ARG A 64 3.436 14.027 4.697 1.00 52.03 H new ATOM 0 HH12 ARG A 64 3.159 15.712 5.151 1.00 52.03 H new ATOM 0 HH21 ARG A 64 6.554 16.639 4.914 1.00 4.03 H new ATOM 0 HH22 ARG A 64 4.910 17.177 5.273 1.00 4.03 H new ATOM 984 N LEU A 65 6.445 8.095 1.077 1.00 23.21 N ATOM 985 CA LEU A 65 5.949 6.761 0.684 1.00 72.34 C ATOM 986 C LEU A 65 7.140 5.823 0.420 1.00 54.43 C ATOM 987 O LEU A 65 7.144 4.666 0.862 1.00 25.32 O ATOM 988 CB LEU A 65 5.013 6.884 -0.567 1.00 22.14 C ATOM 989 CG LEU A 65 4.186 5.614 -0.997 1.00 24.14 C ATOM 990 CD1 LEU A 65 5.026 4.574 -1.781 1.00 70.21 C ATOM 991 CD2 LEU A 65 3.483 4.977 0.231 1.00 24.43 C ATOM 0 H LEU A 65 6.254 8.817 0.382 1.00 23.21 H new ATOM 0 HA LEU A 65 5.359 6.332 1.494 1.00 72.34 H new ATOM 0 HB2 LEU A 65 4.308 7.694 -0.379 1.00 22.14 H new ATOM 0 HB3 LEU A 65 5.627 7.186 -1.415 1.00 22.14 H new ATOM 0 HG LEU A 65 3.421 5.957 -1.693 1.00 24.14 H new ATOM 0 HD11 LEU A 65 4.397 3.724 -2.047 1.00 70.21 H new ATOM 0 HD12 LEU A 65 5.419 5.033 -2.688 1.00 70.21 H new ATOM 0 HD13 LEU A 65 5.854 4.232 -1.160 1.00 70.21 H new ATOM 0 HD21 LEU A 65 2.917 4.101 -0.087 1.00 24.43 H new ATOM 0 HD22 LEU A 65 4.232 4.678 0.964 1.00 24.43 H new ATOM 0 HD23 LEU A 65 2.805 5.703 0.680 1.00 24.43 H new ATOM 1003 N THR A 66 8.137 6.336 -0.313 1.00 13.30 N ATOM 1004 CA THR A 66 9.397 5.627 -0.540 1.00 12.21 C ATOM 1005 C THR A 66 10.098 5.350 0.800 1.00 63.33 C ATOM 1006 O THR A 66 10.638 4.265 1.006 1.00 13.30 O ATOM 1007 CB THR A 66 10.340 6.425 -1.498 1.00 64.34 C ATOM 1008 OG1 THR A 66 10.406 7.798 -1.099 1.00 64.20 O ATOM 1009 CG2 THR A 66 9.888 6.341 -2.962 1.00 73.01 C ATOM 0 H THR A 66 8.091 7.251 -0.762 1.00 13.30 H new ATOM 0 HA THR A 66 9.166 4.677 -1.022 1.00 12.21 H new ATOM 0 HB THR A 66 11.327 5.968 -1.426 1.00 64.34 H new ATOM 0 HG1 THR A 66 9.621 8.276 -1.439 1.00 64.20 H new ATOM 0 HG21 THR A 66 10.575 6.911 -3.588 1.00 73.01 H new ATOM 0 HG22 THR A 66 9.884 5.299 -3.282 1.00 73.01 H new ATOM 0 HG23 THR A 66 8.883 6.753 -3.057 1.00 73.01 H new ATOM 1017 N GLY A 67 10.048 6.346 1.704 1.00 33.30 N ATOM 1018 CA GLY A 67 10.572 6.220 3.065 1.00 10.21 C ATOM 1019 C GLY A 67 9.910 5.113 3.885 1.00 3.13 C ATOM 1020 O GLY A 67 10.572 4.478 4.714 1.00 60.41 O ATOM 0 H GLY A 67 9.641 7.260 1.505 1.00 33.30 H new ATOM 0 HA2 GLY A 67 11.644 6.029 3.015 1.00 10.21 H new ATOM 0 HA3 GLY A 67 10.441 7.170 3.583 1.00 10.21 H new ATOM 1024 N GLN A 68 8.604 4.875 3.634 1.00 64.34 N ATOM 1025 CA GLN A 68 7.843 3.763 4.251 1.00 53.45 C ATOM 1026 C GLN A 68 8.412 2.406 3.800 1.00 62.14 C ATOM 1027 O GLN A 68 8.444 1.441 4.565 1.00 45.22 O ATOM 1028 CB GLN A 68 6.341 3.843 3.876 1.00 60.11 C ATOM 1029 CG GLN A 68 5.624 5.128 4.322 1.00 51.01 C ATOM 1030 CD GLN A 68 5.496 5.289 5.844 1.00 4.24 C ATOM 1031 OE1 GLN A 68 5.409 4.311 6.589 1.00 22.22 O ATOM 1032 NE2 GLN A 68 5.449 6.525 6.311 1.00 65.31 N ATOM 0 H GLN A 68 8.047 5.447 2.999 1.00 64.34 H new ATOM 0 HA GLN A 68 7.940 3.854 5.333 1.00 53.45 H new ATOM 0 HB2 GLN A 68 6.247 3.750 2.794 1.00 60.11 H new ATOM 0 HB3 GLN A 68 5.827 2.988 4.315 1.00 60.11 H new ATOM 0 HG2 GLN A 68 6.163 5.987 3.922 1.00 51.01 H new ATOM 0 HG3 GLN A 68 4.627 5.144 3.882 1.00 51.01 H new ATOM 0 HE21 GLN A 68 5.524 7.315 5.671 1.00 65.31 H new ATOM 0 HE22 GLN A 68 5.338 6.688 7.312 1.00 65.31 H new ATOM 1041 N LEU A 69 8.866 2.366 2.541 1.00 1.33 N ATOM 1042 CA LEU A 69 9.476 1.179 1.939 1.00 1.03 C ATOM 1043 C LEU A 69 10.922 0.993 2.434 1.00 4.23 C ATOM 1044 O LEU A 69 11.337 -0.130 2.653 1.00 74.44 O ATOM 1045 CB LEU A 69 9.399 1.290 0.397 1.00 24.03 C ATOM 1046 CG LEU A 69 7.954 1.195 -0.197 1.00 51.33 C ATOM 1047 CD1 LEU A 69 7.901 1.718 -1.641 1.00 34.13 C ATOM 1048 CD2 LEU A 69 7.424 -0.254 -0.100 1.00 45.31 C ATOM 0 H LEU A 69 8.819 3.165 1.908 1.00 1.33 H new ATOM 0 HA LEU A 69 8.924 0.290 2.246 1.00 1.03 H new ATOM 0 HB2 LEU A 69 9.840 2.239 0.093 1.00 24.03 H new ATOM 0 HB3 LEU A 69 10.009 0.500 -0.041 1.00 24.03 H new ATOM 0 HG LEU A 69 7.302 1.835 0.397 1.00 51.33 H new ATOM 0 HD11 LEU A 69 6.882 1.636 -2.020 1.00 34.13 H new ATOM 0 HD12 LEU A 69 8.213 2.762 -1.662 1.00 34.13 H new ATOM 0 HD13 LEU A 69 8.570 1.127 -2.267 1.00 34.13 H new ATOM 0 HD21 LEU A 69 6.418 -0.302 -0.517 1.00 45.31 H new ATOM 0 HD22 LEU A 69 8.081 -0.920 -0.659 1.00 45.31 H new ATOM 0 HD23 LEU A 69 7.398 -0.563 0.945 1.00 45.31 H new ATOM 1060 N HIS A 70 11.660 2.107 2.654 1.00 74.05 N ATOM 1061 CA HIS A 70 13.054 2.066 3.186 1.00 35.14 C ATOM 1062 C HIS A 70 13.098 1.387 4.567 1.00 54.13 C ATOM 1063 O HIS A 70 13.910 0.488 4.800 1.00 71.21 O ATOM 1064 CB HIS A 70 13.677 3.489 3.291 1.00 55.13 C ATOM 1065 CG HIS A 70 14.194 4.060 1.998 1.00 1.41 C ATOM 1066 ND1 HIS A 70 15.505 3.935 1.600 1.00 15.33 N ATOM 1067 CD2 HIS A 70 13.589 4.778 1.032 1.00 4.13 C ATOM 1068 CE1 HIS A 70 15.671 4.542 0.453 1.00 34.32 C ATOM 1069 NE2 HIS A 70 14.527 5.062 0.089 1.00 61.42 N ATOM 0 H HIS A 70 11.317 3.050 2.472 1.00 74.05 H new ATOM 0 HA HIS A 70 13.643 1.483 2.478 1.00 35.14 H new ATOM 0 HB2 HIS A 70 12.926 4.168 3.695 1.00 55.13 H new ATOM 0 HB3 HIS A 70 14.497 3.457 4.009 1.00 55.13 H new ATOM 0 HD2 HIS A 70 12.550 5.074 1.010 1.00 4.13 H new ATOM 0 HE1 HIS A 70 16.597 4.603 -0.100 1.00 34.32 H new ATOM 0 HE2 HIS A 70 14.365 5.595 -0.765 1.00 61.42 H new ATOM 1078 N GLN A 71 12.186 1.822 5.455 1.00 51.42 N ATOM 1079 CA GLN A 71 12.061 1.271 6.817 1.00 45.22 C ATOM 1080 C GLN A 71 11.430 -0.142 6.788 1.00 10.23 C ATOM 1081 O GLN A 71 11.541 -0.889 7.759 1.00 1.43 O ATOM 1082 CB GLN A 71 11.239 2.236 7.715 1.00 34.14 C ATOM 1083 CG GLN A 71 9.821 2.513 7.205 1.00 42.30 C ATOM 1084 CD GLN A 71 9.026 3.497 8.054 1.00 63.32 C ATOM 1085 OE1 GLN A 71 8.333 3.106 8.997 1.00 55.01 O ATOM 1086 NE2 GLN A 71 9.113 4.783 7.726 1.00 73.24 N ATOM 0 H GLN A 71 11.516 2.563 5.250 1.00 51.42 H new ATOM 0 HA GLN A 71 13.059 1.175 7.244 1.00 45.22 H new ATOM 0 HB2 GLN A 71 11.176 1.816 8.719 1.00 34.14 H new ATOM 0 HB3 GLN A 71 11.774 3.182 7.798 1.00 34.14 H new ATOM 0 HG2 GLN A 71 9.883 2.898 6.187 1.00 42.30 H new ATOM 0 HG3 GLN A 71 9.275 1.571 7.156 1.00 42.30 H new ATOM 0 HE21 GLN A 71 9.696 5.071 6.940 1.00 73.24 H new ATOM 0 HE22 GLN A 71 8.597 5.482 8.261 1.00 73.24 H new ATOM 1095 N ALA A 72 10.755 -0.489 5.665 1.00 23.20 N ATOM 1096 CA ALA A 72 10.247 -1.855 5.421 1.00 10.14 C ATOM 1097 C ALA A 72 11.376 -2.792 4.950 1.00 11.15 C ATOM 1098 O ALA A 72 11.275 -4.004 5.100 1.00 32.53 O ATOM 1099 CB ALA A 72 9.102 -1.834 4.394 1.00 20.04 C ATOM 0 H ALA A 72 10.550 0.166 4.911 1.00 23.20 H new ATOM 0 HA ALA A 72 9.859 -2.240 6.364 1.00 10.14 H new ATOM 0 HB1 ALA A 72 8.743 -2.850 4.229 1.00 20.04 H new ATOM 0 HB2 ALA A 72 8.286 -1.217 4.771 1.00 20.04 H new ATOM 0 HB3 ALA A 72 9.465 -1.420 3.453 1.00 20.04 H new ATOM 1105 N GLY A 73 12.446 -2.211 4.365 1.00 2.24 N ATOM 1106 CA GLY A 73 13.624 -2.973 3.898 1.00 61.24 C ATOM 1107 C GLY A 73 13.696 -3.087 2.379 1.00 11.31 C ATOM 1108 O GLY A 73 14.235 -4.060 1.841 1.00 43.42 O ATOM 0 H GLY A 73 12.517 -1.206 4.204 1.00 2.24 H new ATOM 0 HA2 GLY A 73 14.530 -2.491 4.264 1.00 61.24 H new ATOM 0 HA3 GLY A 73 13.598 -3.973 4.331 1.00 61.24 H new ATOM 1112 N TYR A 74 13.094 -2.105 1.687 1.00 21.33 N ATOM 1113 CA TYR A 74 13.135 -1.970 0.212 1.00 62.10 C ATOM 1114 C TYR A 74 13.699 -0.597 -0.153 1.00 51.04 C ATOM 1115 O TYR A 74 13.203 0.429 0.338 1.00 43.51 O ATOM 1116 CB TYR A 74 11.715 -2.138 -0.395 1.00 12.33 C ATOM 1117 CG TYR A 74 11.018 -3.389 0.126 1.00 53.31 C ATOM 1118 CD1 TYR A 74 11.327 -4.652 -0.378 1.00 12.54 C ATOM 1119 CD2 TYR A 74 10.099 -3.306 1.169 1.00 53.10 C ATOM 1120 CE1 TYR A 74 10.736 -5.780 0.145 1.00 52.55 C ATOM 1121 CE2 TYR A 74 9.508 -4.427 1.684 1.00 32.41 C ATOM 1122 CZ TYR A 74 9.826 -5.661 1.174 1.00 71.23 C ATOM 1123 OH TYR A 74 9.224 -6.785 1.692 1.00 34.40 O ATOM 0 H TYR A 74 12.555 -1.367 2.140 1.00 21.33 H new ATOM 0 HA TYR A 74 13.775 -2.751 -0.197 1.00 62.10 H new ATOM 0 HB2 TYR A 74 11.113 -1.261 -0.157 1.00 12.33 H new ATOM 0 HB3 TYR A 74 11.788 -2.189 -1.481 1.00 12.33 H new ATOM 0 HD1 TYR A 74 12.037 -4.746 -1.186 1.00 12.54 H new ATOM 0 HD2 TYR A 74 9.848 -2.339 1.579 1.00 53.10 H new ATOM 0 HE1 TYR A 74 10.984 -6.754 -0.249 1.00 52.55 H new ATOM 0 HE2 TYR A 74 8.793 -4.341 2.489 1.00 32.41 H new ATOM 0 HH TYR A 74 9.303 -6.778 2.669 1.00 34.40 H new ATOM 1133 N GLU A 75 14.740 -0.575 -0.988 1.00 30.25 N ATOM 1134 CA GLU A 75 15.305 0.668 -1.497 1.00 41.40 C ATOM 1135 C GLU A 75 14.333 1.211 -2.564 1.00 12.03 C ATOM 1136 O GLU A 75 14.085 0.557 -3.593 1.00 11.22 O ATOM 1137 CB GLU A 75 16.744 0.435 -2.053 1.00 4.53 C ATOM 1138 CG GLU A 75 17.654 1.695 -2.102 1.00 64.50 C ATOM 1139 CD GLU A 75 17.121 2.848 -2.978 1.00 52.24 C ATOM 1140 OE1 GLU A 75 16.525 3.791 -2.442 1.00 24.20 O ATOM 1141 OE2 GLU A 75 17.275 2.800 -4.209 1.00 40.51 O1- ATOM 0 H GLU A 75 15.210 -1.415 -1.326 1.00 30.25 H new ATOM 0 HA GLU A 75 15.414 1.407 -0.703 1.00 41.40 H new ATOM 0 HB2 GLU A 75 17.234 -0.322 -1.440 1.00 4.53 H new ATOM 0 HB3 GLU A 75 16.664 0.026 -3.060 1.00 4.53 H new ATOM 0 HG2 GLU A 75 17.793 2.064 -1.086 1.00 64.50 H new ATOM 0 HG3 GLU A 75 18.636 1.402 -2.472 1.00 64.50 H new ATOM 1148 N ALA A 76 13.780 2.395 -2.286 1.00 70.33 N ATOM 1149 CA ALA A 76 12.733 3.023 -3.090 1.00 75.30 C ATOM 1150 C ALA A 76 13.070 4.496 -3.302 1.00 43.33 C ATOM 1151 O ALA A 76 13.311 5.231 -2.338 1.00 71.03 O ATOM 1152 CB ALA A 76 11.376 2.857 -2.399 1.00 20.55 C ATOM 0 H ALA A 76 14.055 2.954 -1.478 1.00 70.33 H new ATOM 0 HA ALA A 76 12.675 2.540 -4.065 1.00 75.30 H new ATOM 0 HB1 ALA A 76 10.600 3.327 -3.003 1.00 20.55 H new ATOM 0 HB2 ALA A 76 11.154 1.796 -2.284 1.00 20.55 H new ATOM 0 HB3 ALA A 76 11.407 3.329 -1.417 1.00 20.55 H new ATOM 1158 N GLN A 77 13.086 4.926 -4.566 1.00 34.23 N ATOM 1159 CA GLN A 77 13.357 6.325 -4.941 1.00 51.31 C ATOM 1160 C GLN A 77 12.179 6.900 -5.732 1.00 12.24 C ATOM 1161 O GLN A 77 11.516 6.174 -6.491 1.00 53.11 O ATOM 1162 CB GLN A 77 14.684 6.418 -5.751 1.00 13.23 C ATOM 1163 CG GLN A 77 15.954 6.125 -4.916 1.00 44.22 C ATOM 1164 CD GLN A 77 16.200 7.157 -3.799 1.00 14.22 C ATOM 1165 OE1 GLN A 77 15.856 8.338 -3.922 1.00 54.35 O ATOM 1166 NE2 GLN A 77 16.791 6.730 -2.695 1.00 65.53 N ATOM 0 H GLN A 77 12.911 4.315 -5.364 1.00 34.23 H new ATOM 0 HA GLN A 77 13.474 6.920 -4.035 1.00 51.31 H new ATOM 0 HB2 GLN A 77 14.639 5.716 -6.584 1.00 13.23 H new ATOM 0 HB3 GLN A 77 14.766 7.417 -6.180 1.00 13.23 H new ATOM 0 HG2 GLN A 77 15.868 5.133 -4.472 1.00 44.22 H new ATOM 0 HG3 GLN A 77 16.819 6.104 -5.579 1.00 44.22 H new ATOM 0 HE21 GLN A 77 17.068 5.752 -2.610 1.00 65.53 H new ATOM 0 HE22 GLN A 77 16.969 7.379 -1.928 1.00 65.53 H new ATOM 1175 N LEU A 78 11.933 8.216 -5.537 1.00 44.24 N ATOM 1176 CA LEU A 78 10.881 8.974 -6.240 1.00 21.22 C ATOM 1177 C LEU A 78 11.085 8.900 -7.763 1.00 43.43 C ATOM 1178 O LEU A 78 10.106 8.909 -8.519 1.00 41.43 O ATOM 1179 CB LEU A 78 10.876 10.458 -5.770 1.00 14.23 C ATOM 1180 CG LEU A 78 9.906 11.434 -6.528 1.00 15.05 C ATOM 1181 CD1 LEU A 78 8.436 10.981 -6.434 1.00 34.43 C ATOM 1182 CD2 LEU A 78 10.081 12.890 -6.047 1.00 45.24 C ATOM 0 H LEU A 78 12.467 8.784 -4.879 1.00 44.24 H new ATOM 0 HA LEU A 78 9.917 8.526 -5.998 1.00 21.22 H new ATOM 0 HB2 LEU A 78 10.620 10.479 -4.711 1.00 14.23 H new ATOM 0 HB3 LEU A 78 11.890 10.847 -5.861 1.00 14.23 H new ATOM 0 HG LEU A 78 10.181 11.399 -7.582 1.00 15.05 H new ATOM 0 HD11 LEU A 78 7.803 11.686 -6.973 1.00 34.43 H new ATOM 0 HD12 LEU A 78 8.332 9.990 -6.875 1.00 34.43 H new ATOM 0 HD13 LEU A 78 8.132 10.946 -5.388 1.00 34.43 H new ATOM 0 HD21 LEU A 78 9.395 13.538 -6.592 1.00 45.24 H new ATOM 0 HD22 LEU A 78 9.866 12.949 -4.980 1.00 45.24 H new ATOM 0 HD23 LEU A 78 11.106 13.212 -6.229 1.00 45.24 H new ATOM 1194 N SER A 79 12.369 8.790 -8.175 1.00 25.13 N ATOM 1195 CA SER A 79 12.781 8.621 -9.578 1.00 0.45 C ATOM 1196 C SER A 79 11.969 7.497 -10.263 1.00 13.22 C ATOM 1197 O SER A 79 11.497 7.663 -11.388 1.00 11.33 O ATOM 1198 CB SER A 79 14.298 8.320 -9.647 1.00 20.11 C ATOM 1199 OG SER A 79 14.764 8.265 -10.987 1.00 63.51 O ATOM 0 H SER A 79 13.157 8.817 -7.528 1.00 25.13 H new ATOM 0 HA SER A 79 12.580 9.549 -10.114 1.00 0.45 H new ATOM 0 HB2 SER A 79 14.846 9.089 -9.103 1.00 20.11 H new ATOM 0 HB3 SER A 79 14.503 7.371 -9.152 1.00 20.11 H new ATOM 0 HG SER A 79 15.725 8.075 -10.991 1.00 63.51 H new ATOM 1205 N ASP A 80 11.775 6.376 -9.535 1.00 1.33 N ATOM 1206 CA ASP A 80 11.003 5.216 -10.019 1.00 30.24 C ATOM 1207 C ASP A 80 9.510 5.284 -9.656 1.00 73.44 C ATOM 1208 O ASP A 80 8.735 4.506 -10.197 1.00 53.41 O ATOM 1209 CB ASP A 80 11.640 3.875 -9.551 1.00 53.05 C ATOM 1210 CG ASP A 80 12.876 3.481 -10.385 1.00 53.20 C ATOM 1211 OD1 ASP A 80 13.998 3.448 -9.854 1.00 52.33 O ATOM 1212 OD2 ASP A 80 12.728 3.234 -11.602 1.00 10.01 O1- ATOM 0 H ASP A 80 12.150 6.252 -8.595 1.00 1.33 H new ATOM 0 HA ASP A 80 11.051 5.255 -11.107 1.00 30.24 H new ATOM 0 HB2 ASP A 80 11.926 3.960 -8.503 1.00 53.05 H new ATOM 0 HB3 ASP A 80 10.895 3.082 -9.615 1.00 53.05 H new ATOM 1217 N LEU A 81 9.096 6.170 -8.726 1.00 74.15 N ATOM 1218 CA LEU A 81 7.661 6.331 -8.393 1.00 5.11 C ATOM 1219 C LEU A 81 6.887 7.019 -9.536 1.00 21.15 C ATOM 1220 O LEU A 81 5.740 6.644 -9.809 1.00 13.13 O ATOM 1221 CB LEU A 81 7.451 7.066 -7.018 1.00 54.12 C ATOM 1222 CG LEU A 81 6.754 6.206 -5.921 1.00 51.30 C ATOM 1223 CD1 LEU A 81 6.677 6.929 -4.576 1.00 0.24 C ATOM 1224 CD2 LEU A 81 5.346 5.725 -6.369 1.00 3.20 C ATOM 0 H LEU A 81 9.723 6.777 -8.198 1.00 74.15 H new ATOM 0 HA LEU A 81 7.246 5.329 -8.279 1.00 5.11 H new ATOM 0 HB2 LEU A 81 8.421 7.392 -6.643 1.00 54.12 H new ATOM 0 HB3 LEU A 81 6.857 7.964 -7.188 1.00 54.12 H new ATOM 0 HG LEU A 81 7.381 5.325 -5.782 1.00 51.30 H new ATOM 0 HD11 LEU A 81 6.183 6.288 -3.846 1.00 0.24 H new ATOM 0 HD12 LEU A 81 7.684 7.163 -4.231 1.00 0.24 H new ATOM 0 HD13 LEU A 81 6.109 7.852 -4.691 1.00 0.24 H new ATOM 0 HD21 LEU A 81 4.895 5.129 -5.575 1.00 3.20 H new ATOM 0 HD22 LEU A 81 4.715 6.589 -6.576 1.00 3.20 H new ATOM 0 HD23 LEU A 81 5.438 5.119 -7.270 1.00 3.20 H new ATOM 1236 N PHE A 82 7.489 8.031 -10.189 1.00 24.12 N ATOM 1237 CA PHE A 82 6.863 8.673 -11.370 1.00 60.00 C ATOM 1238 C PHE A 82 7.177 7.876 -12.654 1.00 71.45 C ATOM 1239 O PHE A 82 6.408 7.911 -13.616 1.00 4.01 O ATOM 1240 CB PHE A 82 7.247 10.182 -11.499 1.00 43.43 C ATOM 1241 CG PHE A 82 8.733 10.526 -11.698 1.00 12.01 C ATOM 1242 CD1 PHE A 82 9.491 11.070 -10.660 1.00 13.30 C ATOM 1243 CD2 PHE A 82 9.364 10.339 -12.935 1.00 61.11 C ATOM 1244 CE1 PHE A 82 10.818 11.410 -10.849 1.00 43.04 C ATOM 1245 CE2 PHE A 82 10.690 10.672 -13.118 1.00 71.25 C ATOM 1246 CZ PHE A 82 11.418 11.208 -12.076 1.00 71.24 C ATOM 0 H PHE A 82 8.395 8.420 -9.927 1.00 24.12 H new ATOM 0 HA PHE A 82 5.783 8.653 -11.224 1.00 60.00 H new ATOM 0 HB2 PHE A 82 6.691 10.599 -12.338 1.00 43.43 H new ATOM 0 HB3 PHE A 82 6.901 10.694 -10.601 1.00 43.43 H new ATOM 0 HD1 PHE A 82 9.034 11.228 -9.694 1.00 13.30 H new ATOM 0 HD2 PHE A 82 8.802 9.927 -13.760 1.00 61.11 H new ATOM 0 HE1 PHE A 82 11.386 11.835 -10.035 1.00 43.04 H new ATOM 0 HE2 PHE A 82 11.159 10.513 -14.078 1.00 71.25 H new ATOM 0 HZ PHE A 82 12.456 11.469 -12.220 1.00 71.24 H new ATOM 1256 N ASN A 83 8.323 7.166 -12.657 1.00 71.43 N ATOM 1257 CA ASN A 83 8.726 6.280 -13.776 1.00 50.35 C ATOM 1258 C ASN A 83 7.840 5.018 -13.819 1.00 43.32 C ATOM 1259 O ASN A 83 7.574 4.463 -14.883 1.00 2.43 O ATOM 1260 CB ASN A 83 10.220 5.899 -13.631 1.00 25.24 C ATOM 1261 CG ASN A 83 10.773 5.018 -14.756 1.00 54.41 C ATOM 1262 OD1 ASN A 83 10.371 5.130 -15.914 1.00 3.24 O ATOM 1263 ND2 ASN A 83 11.708 4.143 -14.428 1.00 11.23 N ATOM 0 H ASN A 83 8.995 7.188 -11.890 1.00 71.43 H new ATOM 0 HA ASN A 83 8.590 6.815 -14.716 1.00 50.35 H new ATOM 0 HB2 ASN A 83 10.810 6.814 -13.582 1.00 25.24 H new ATOM 0 HB3 ASN A 83 10.357 5.380 -12.682 1.00 25.24 H new ATOM 0 HD21 ASN A 83 12.115 3.539 -15.143 1.00 11.23 H new ATOM 0 HD22 ASN A 83 12.023 4.071 -13.460 1.00 11.23 H new ATOM 1270 N HIS A 84 7.387 4.589 -12.633 1.00 15.15 N ATOM 1271 CA HIS A 84 6.500 3.428 -12.445 1.00 42.10 C ATOM 1272 C HIS A 84 5.406 3.854 -11.453 1.00 13.12 C ATOM 1273 O HIS A 84 5.559 3.655 -10.245 1.00 54.15 O ATOM 1274 CB HIS A 84 7.288 2.188 -11.912 1.00 72.20 C ATOM 1275 CG HIS A 84 8.497 1.844 -12.735 1.00 43.14 C ATOM 1276 ND1 HIS A 84 8.422 1.168 -13.930 1.00 55.03 N ATOM 1277 CD2 HIS A 84 9.808 2.120 -12.550 1.00 43.43 C ATOM 1278 CE1 HIS A 84 9.624 1.068 -14.455 1.00 31.22 C ATOM 1279 NE2 HIS A 84 10.479 1.640 -13.637 1.00 32.13 N ATOM 0 H HIS A 84 7.632 5.049 -11.756 1.00 15.15 H new ATOM 0 HA HIS A 84 6.063 3.127 -13.397 1.00 42.10 H new ATOM 0 HB2 HIS A 84 7.600 2.380 -10.886 1.00 72.20 H new ATOM 0 HB3 HIS A 84 6.620 1.327 -11.886 1.00 72.20 H new ATOM 0 HD1 HIS A 84 7.566 0.801 -14.345 1.00 55.03 H new ATOM 0 HD2 HIS A 84 10.243 2.626 -11.701 1.00 43.43 H new ATOM 0 HE1 HIS A 84 9.866 0.597 -15.396 1.00 31.22 H new ATOM 1288 N PRO A 85 4.333 4.556 -11.932 1.00 12.11 N ATOM 1289 CA PRO A 85 3.239 5.022 -11.060 1.00 14.33 C ATOM 1290 C PRO A 85 2.272 3.879 -10.692 1.00 63.32 C ATOM 1291 O PRO A 85 1.728 3.871 -9.589 1.00 54.33 O ATOM 1292 CB PRO A 85 2.553 6.145 -11.892 1.00 72.15 C ATOM 1293 CG PRO A 85 3.362 6.278 -13.163 1.00 11.34 C ATOM 1294 CD PRO A 85 4.085 4.968 -13.335 1.00 63.43 C ATOM 0 HA PRO A 85 3.593 5.387 -10.096 1.00 14.33 H new ATOM 0 HB2 PRO A 85 1.517 5.888 -12.114 1.00 72.15 H new ATOM 0 HB3 PRO A 85 2.537 7.085 -11.340 1.00 72.15 H new ATOM 0 HG2 PRO A 85 2.716 6.482 -14.017 1.00 11.34 H new ATOM 0 HG3 PRO A 85 4.067 7.106 -13.092 1.00 11.34 H new ATOM 0 HD2 PRO A 85 3.480 4.237 -13.872 1.00 63.43 H new ATOM 0 HD3 PRO A 85 5.013 5.086 -13.894 1.00 63.43 H new ATOM 1302 N ARG A 86 2.059 2.941 -11.645 1.00 35.33 N ATOM 1303 CA ARG A 86 1.258 1.711 -11.447 1.00 52.33 C ATOM 1304 C ARG A 86 1.784 0.913 -10.228 1.00 60.22 C ATOM 1305 O ARG A 86 2.998 0.728 -10.095 1.00 45.42 O ATOM 1306 CB ARG A 86 1.288 0.821 -12.749 1.00 5.20 C ATOM 1307 CG ARG A 86 -0.086 0.518 -13.377 1.00 44.40 C ATOM 1308 CD ARG A 86 -0.757 1.769 -13.970 1.00 74.33 C ATOM 1309 NE ARG A 86 -2.108 1.490 -14.473 1.00 11.24 N ATOM 1310 CZ ARG A 86 -2.530 1.678 -15.728 1.00 15.32 C ATOM 1311 NH1 ARG A 86 -1.711 2.179 -16.667 1.00 11.03 N1+ ATOM 1312 NH2 ARG A 86 -3.776 1.362 -16.041 1.00 51.52 N ATOM 0 H ARG A 86 2.445 3.019 -12.586 1.00 35.33 H new ATOM 0 HA ARG A 86 0.225 1.997 -11.249 1.00 52.33 H new ATOM 0 HB2 ARG A 86 1.907 1.320 -13.495 1.00 5.20 H new ATOM 0 HB3 ARG A 86 1.776 -0.124 -12.511 1.00 5.20 H new ATOM 0 HG2 ARG A 86 0.034 -0.230 -14.160 1.00 44.40 H new ATOM 0 HG3 ARG A 86 -0.739 0.085 -12.620 1.00 44.40 H new ATOM 0 HD2 ARG A 86 -0.809 2.547 -13.208 1.00 74.33 H new ATOM 0 HD3 ARG A 86 -0.142 2.158 -14.782 1.00 74.33 H new ATOM 0 HE ARG A 86 -2.785 1.120 -13.806 1.00 11.24 H new ATOM 0 HH11 ARG A 86 -0.750 2.423 -16.428 1.00 11.03 H new ATOM 0 HH12 ARG A 86 -2.050 2.316 -17.619 1.00 11.03 H new ATOM 0 HH21 ARG A 86 -4.400 0.981 -15.329 1.00 51.52 H new ATOM 0 HH22 ARG A 86 -4.113 1.499 -16.994 1.00 51.52 H new ATOM 1326 N LEU A 87 0.858 0.429 -9.384 1.00 52.23 N ATOM 1327 CA LEU A 87 1.184 -0.238 -8.108 1.00 35.35 C ATOM 1328 C LEU A 87 2.075 -1.471 -8.313 1.00 4.43 C ATOM 1329 O LEU A 87 3.164 -1.544 -7.737 1.00 70.10 O ATOM 1330 CB LEU A 87 -0.137 -0.592 -7.372 1.00 71.12 C ATOM 1331 CG LEU A 87 -0.043 -0.952 -5.845 1.00 12.14 C ATOM 1332 CD1 LEU A 87 -1.401 -0.738 -5.151 1.00 51.01 C ATOM 1333 CD2 LEU A 87 0.459 -2.394 -5.591 1.00 40.12 C ATOM 0 H LEU A 87 -0.144 0.489 -9.567 1.00 52.23 H new ATOM 0 HA LEU A 87 1.764 0.446 -7.489 1.00 35.35 H new ATOM 0 HB2 LEU A 87 -0.817 0.253 -7.477 1.00 71.12 H new ATOM 0 HB3 LEU A 87 -0.594 -1.436 -7.889 1.00 71.12 H new ATOM 0 HG LEU A 87 0.697 -0.276 -5.417 1.00 12.14 H new ATOM 0 HD11 LEU A 87 -1.314 -0.993 -4.095 1.00 51.01 H new ATOM 0 HD12 LEU A 87 -1.699 0.306 -5.249 1.00 51.01 H new ATOM 0 HD13 LEU A 87 -2.152 -1.375 -5.617 1.00 51.01 H new ATOM 0 HD21 LEU A 87 0.502 -2.581 -4.518 1.00 40.12 H new ATOM 0 HD22 LEU A 87 -0.225 -3.104 -6.056 1.00 40.12 H new ATOM 0 HD23 LEU A 87 1.454 -2.514 -6.020 1.00 40.12 H new ATOM 1345 N ALA A 88 1.601 -2.417 -9.140 1.00 11.20 N ATOM 1346 CA ALA A 88 2.317 -3.681 -9.396 1.00 54.51 C ATOM 1347 C ALA A 88 3.661 -3.423 -10.096 1.00 72.31 C ATOM 1348 O ALA A 88 4.667 -4.056 -9.781 1.00 71.01 O ATOM 1349 CB ALA A 88 1.449 -4.625 -10.237 1.00 4.35 C ATOM 0 H ALA A 88 0.720 -2.331 -9.646 1.00 11.20 H new ATOM 0 HA ALA A 88 2.522 -4.154 -8.436 1.00 54.51 H new ATOM 0 HB1 ALA A 88 1.991 -5.553 -10.418 1.00 4.35 H new ATOM 0 HB2 ALA A 88 0.525 -4.843 -9.702 1.00 4.35 H new ATOM 0 HB3 ALA A 88 1.214 -4.151 -11.190 1.00 4.35 H new ATOM 1355 N ASP A 89 3.657 -2.447 -11.013 1.00 21.05 N ATOM 1356 CA ASP A 89 4.824 -2.099 -11.845 1.00 73.42 C ATOM 1357 C ASP A 89 5.943 -1.442 -11.005 1.00 74.44 C ATOM 1358 O ASP A 89 7.136 -1.648 -11.265 1.00 30.21 O ATOM 1359 CB ASP A 89 4.361 -1.176 -13.000 1.00 52.41 C ATOM 1360 CG ASP A 89 5.479 -0.758 -13.971 1.00 34.03 C ATOM 1361 OD1 ASP A 89 5.598 0.439 -14.277 1.00 34.35 O ATOM 1362 OD2 ASP A 89 6.236 -1.628 -14.447 1.00 52.34 O1- ATOM 0 H ASP A 89 2.838 -1.869 -11.203 1.00 21.05 H new ATOM 0 HA ASP A 89 5.249 -3.010 -12.265 1.00 73.42 H new ATOM 0 HB2 ASP A 89 3.579 -1.685 -13.564 1.00 52.41 H new ATOM 0 HB3 ASP A 89 3.913 -0.278 -12.573 1.00 52.41 H new ATOM 1367 N PHE A 90 5.540 -0.669 -9.978 1.00 40.31 N ATOM 1368 CA PHE A 90 6.472 -0.041 -9.024 1.00 64.41 C ATOM 1369 C PHE A 90 6.995 -1.087 -8.029 1.00 55.44 C ATOM 1370 O PHE A 90 8.191 -1.120 -7.715 1.00 71.35 O ATOM 1371 CB PHE A 90 5.788 1.135 -8.270 1.00 13.53 C ATOM 1372 CG PHE A 90 6.695 1.839 -7.258 1.00 70.33 C ATOM 1373 CD1 PHE A 90 6.340 1.935 -5.910 1.00 34.25 C ATOM 1374 CD2 PHE A 90 7.923 2.382 -7.656 1.00 61.20 C ATOM 1375 CE1 PHE A 90 7.182 2.541 -4.998 1.00 71.14 C ATOM 1376 CE2 PHE A 90 8.761 2.993 -6.740 1.00 55.13 C ATOM 1377 CZ PHE A 90 8.391 3.072 -5.411 1.00 2.52 C ATOM 0 H PHE A 90 4.559 -0.463 -9.787 1.00 40.31 H new ATOM 0 HA PHE A 90 7.315 0.364 -9.584 1.00 64.41 H new ATOM 0 HB2 PHE A 90 5.439 1.866 -8.999 1.00 13.53 H new ATOM 0 HB3 PHE A 90 4.907 0.757 -7.751 1.00 13.53 H new ATOM 0 HD1 PHE A 90 5.396 1.530 -5.577 1.00 34.25 H new ATOM 0 HD2 PHE A 90 8.220 2.323 -8.693 1.00 61.20 H new ATOM 0 HE1 PHE A 90 6.895 2.601 -3.958 1.00 71.14 H new ATOM 0 HE2 PHE A 90 9.704 3.408 -7.064 1.00 55.13 H new ATOM 0 HZ PHE A 90 9.045 3.548 -4.695 1.00 2.52 H new ATOM 1387 N ALA A 91 6.079 -1.950 -7.560 1.00 44.42 N ATOM 1388 CA ALA A 91 6.387 -3.026 -6.604 1.00 12.33 C ATOM 1389 C ALA A 91 7.373 -4.051 -7.214 1.00 0.10 C ATOM 1390 O ALA A 91 8.159 -4.677 -6.495 1.00 73.13 O ATOM 1391 CB ALA A 91 5.082 -3.695 -6.146 1.00 43.22 C ATOM 0 H ALA A 91 5.097 -1.920 -7.835 1.00 44.42 H new ATOM 0 HA ALA A 91 6.880 -2.597 -5.732 1.00 12.33 H new ATOM 0 HB1 ALA A 91 5.311 -4.492 -5.438 1.00 43.22 H new ATOM 0 HB2 ALA A 91 4.443 -2.955 -5.665 1.00 43.22 H new ATOM 0 HB3 ALA A 91 4.565 -4.114 -7.010 1.00 43.22 H new ATOM 1397 N ALA A 92 7.338 -4.166 -8.559 1.00 44.44 N ATOM 1398 CA ALA A 92 8.273 -5.003 -9.332 1.00 0.22 C ATOM 1399 C ALA A 92 9.688 -4.393 -9.343 1.00 24.23 C ATOM 1400 O ALA A 92 10.690 -5.115 -9.284 1.00 22.24 O ATOM 1401 CB ALA A 92 7.759 -5.169 -10.771 1.00 12.21 C ATOM 0 H ALA A 92 6.656 -3.677 -9.139 1.00 44.44 H new ATOM 0 HA ALA A 92 8.331 -5.981 -8.853 1.00 0.22 H new ATOM 0 HB1 ALA A 92 8.455 -5.789 -11.337 1.00 12.21 H new ATOM 0 HB2 ALA A 92 6.779 -5.646 -10.755 1.00 12.21 H new ATOM 0 HB3 ALA A 92 7.678 -4.190 -11.244 1.00 12.21 H new ATOM 1407 N THR A 93 9.754 -3.047 -9.429 1.00 0.21 N ATOM 1408 CA THR A 93 11.023 -2.298 -9.519 1.00 51.10 C ATOM 1409 C THR A 93 11.590 -1.930 -8.131 1.00 21.53 C ATOM 1410 O THR A 93 12.601 -1.217 -8.037 1.00 35.52 O ATOM 1411 CB THR A 93 10.852 -1.027 -10.423 1.00 63.43 C ATOM 1412 OG1 THR A 93 9.802 -0.174 -9.934 1.00 62.22 O ATOM 1413 CG2 THR A 93 10.531 -1.424 -11.877 1.00 1.34 C ATOM 0 H THR A 93 8.927 -2.450 -9.438 1.00 0.21 H new ATOM 0 HA THR A 93 11.755 -2.957 -9.986 1.00 51.10 H new ATOM 0 HB THR A 93 11.798 -0.486 -10.392 1.00 63.43 H new ATOM 0 HG1 THR A 93 9.415 -0.564 -9.122 1.00 62.22 H new ATOM 0 HG21 THR A 93 10.417 -0.525 -12.483 1.00 1.34 H new ATOM 0 HG22 THR A 93 11.344 -2.030 -12.276 1.00 1.34 H new ATOM 0 HG23 THR A 93 9.604 -1.998 -11.901 1.00 1.34 H new ATOM 1421 N LEU A 94 10.948 -2.429 -7.055 1.00 22.25 N ATOM 1422 CA LEU A 94 11.498 -2.327 -5.693 1.00 5.30 C ATOM 1423 C LEU A 94 12.628 -3.347 -5.510 1.00 63.41 C ATOM 1424 O LEU A 94 12.433 -4.549 -5.726 1.00 51.23 O ATOM 1425 CB LEU A 94 10.409 -2.543 -4.615 1.00 35.43 C ATOM 1426 CG LEU A 94 9.320 -1.441 -4.526 1.00 1.41 C ATOM 1427 CD1 LEU A 94 8.331 -1.744 -3.393 1.00 10.34 C ATOM 1428 CD2 LEU A 94 9.953 -0.040 -4.378 1.00 72.11 C ATOM 0 H LEU A 94 10.048 -2.906 -7.106 1.00 22.25 H new ATOM 0 HA LEU A 94 11.891 -1.318 -5.567 1.00 5.30 H new ATOM 0 HB2 LEU A 94 9.919 -3.497 -4.807 1.00 35.43 H new ATOM 0 HB3 LEU A 94 10.897 -2.625 -3.644 1.00 35.43 H new ATOM 0 HG LEU A 94 8.759 -1.440 -5.460 1.00 1.41 H new ATOM 0 HD11 LEU A 94 7.576 -0.959 -3.349 1.00 10.34 H new ATOM 0 HD12 LEU A 94 7.847 -2.702 -3.579 1.00 10.34 H new ATOM 0 HD13 LEU A 94 8.866 -1.786 -2.444 1.00 10.34 H new ATOM 0 HD21 LEU A 94 9.165 0.711 -4.318 1.00 72.11 H new ATOM 0 HD22 LEU A 94 10.555 -0.007 -3.470 1.00 72.11 H new ATOM 0 HD23 LEU A 94 10.586 0.166 -5.241 1.00 72.11 H new ATOM 1440 N ARG A 95 13.807 -2.844 -5.143 1.00 33.33 N ATOM 1441 CA ARG A 95 14.981 -3.673 -4.858 1.00 42.55 C ATOM 1442 C ARG A 95 15.066 -3.891 -3.347 1.00 0.13 C ATOM 1443 O ARG A 95 14.894 -2.936 -2.580 1.00 74.40 O ATOM 1444 CB ARG A 95 16.266 -2.983 -5.387 1.00 11.44 C ATOM 1445 CG ARG A 95 16.171 -2.555 -6.869 1.00 3.42 C ATOM 1446 CD ARG A 95 17.437 -1.844 -7.374 1.00 31.42 C ATOM 1447 NE ARG A 95 17.206 -1.177 -8.672 1.00 14.40 N ATOM 1448 CZ ARG A 95 17.212 0.156 -8.873 1.00 34.01 C ATOM 1449 NH1 ARG A 95 17.445 0.998 -7.866 1.00 45.31 N1+ ATOM 1450 NH2 ARG A 95 16.967 0.640 -10.075 1.00 30.53 N ATOM 0 H ARG A 95 13.976 -1.844 -5.034 1.00 33.33 H new ATOM 0 HA ARG A 95 14.889 -4.636 -5.360 1.00 42.55 H new ATOM 0 HB2 ARG A 95 16.475 -2.105 -4.776 1.00 11.44 H new ATOM 0 HB3 ARG A 95 17.110 -3.663 -5.267 1.00 11.44 H new ATOM 0 HG2 ARG A 95 15.986 -3.436 -7.484 1.00 3.42 H new ATOM 0 HG3 ARG A 95 15.315 -1.893 -6.995 1.00 3.42 H new ATOM 0 HD2 ARG A 95 17.759 -1.107 -6.638 1.00 31.42 H new ATOM 0 HD3 ARG A 95 18.246 -2.568 -7.475 1.00 31.42 H new ATOM 0 HE ARG A 95 17.028 -1.773 -9.481 1.00 14.40 H new ATOM 0 HH11 ARG A 95 17.622 0.636 -6.929 1.00 45.31 H new ATOM 0 HH12 ARG A 95 17.447 2.004 -8.033 1.00 45.31 H new ATOM 0 HH21 ARG A 95 16.773 0.006 -10.850 1.00 30.53 H new ATOM 0 HH22 ARG A 95 16.971 1.648 -10.229 1.00 30.53 H new ATOM 1464 N LYS A 96 15.306 -5.141 -2.931 1.00 73.11 N ATOM 1465 CA LYS A 96 15.467 -5.490 -1.516 1.00 72.24 C ATOM 1466 C LYS A 96 16.732 -4.800 -0.975 1.00 33.53 C ATOM 1467 O LYS A 96 17.824 -5.046 -1.503 1.00 35.13 O ATOM 1468 CB LYS A 96 15.584 -7.037 -1.355 1.00 3.24 C ATOM 1469 CG LYS A 96 15.453 -7.550 0.096 1.00 43.30 C ATOM 1470 CD LYS A 96 14.027 -7.353 0.656 1.00 3.25 C ATOM 1471 CE LYS A 96 13.851 -7.902 2.074 1.00 62.43 C ATOM 1472 NZ LYS A 96 12.444 -7.775 2.532 1.00 22.24 N1+ ATOM 0 H LYS A 96 15.394 -5.936 -3.564 1.00 73.11 H new ATOM 0 HA LYS A 96 14.597 -5.152 -0.952 1.00 72.24 H new ATOM 0 HB2 LYS A 96 14.814 -7.511 -1.964 1.00 3.24 H new ATOM 0 HB3 LYS A 96 16.547 -7.358 -1.753 1.00 3.24 H new ATOM 0 HG2 LYS A 96 15.713 -8.608 0.131 1.00 43.30 H new ATOM 0 HG3 LYS A 96 16.167 -7.026 0.731 1.00 43.30 H new ATOM 0 HD2 LYS A 96 13.787 -6.290 0.653 1.00 3.25 H new ATOM 0 HD3 LYS A 96 13.313 -7.843 -0.007 1.00 3.25 H new ATOM 0 HE2 LYS A 96 14.151 -8.950 2.100 1.00 62.43 H new ATOM 0 HE3 LYS A 96 14.508 -7.365 2.758 1.00 62.43 H new ATOM 0 HZ1 LYS A 96 12.424 -7.330 3.472 1.00 22.24 H new ATOM 0 HZ2 LYS A 96 11.912 -7.187 1.859 1.00 22.24 H new ATOM 0 HZ3 LYS A 96 12.010 -8.719 2.586 1.00 22.24 H new ATOM 1486 N THR A 97 16.574 -3.913 0.026 1.00 64.33 N ATOM 1487 CA THR A 97 17.705 -3.227 0.669 1.00 24.42 C ATOM 1488 C THR A 97 18.640 -4.249 1.333 1.00 43.32 C ATOM 1489 O THR A 97 18.175 -5.252 1.899 1.00 4.33 O ATOM 1490 CB THR A 97 17.220 -2.206 1.748 1.00 24.15 C ATOM 1491 OG1 THR A 97 16.267 -1.322 1.172 1.00 55.25 O ATOM 1492 CG2 THR A 97 18.367 -1.368 2.331 1.00 60.14 C ATOM 0 H THR A 97 15.664 -3.655 0.408 1.00 64.33 H new ATOM 0 HA THR A 97 18.240 -2.683 -0.110 1.00 24.42 H new ATOM 0 HB THR A 97 16.782 -2.788 2.559 1.00 24.15 H new ATOM 0 HG1 THR A 97 15.962 -0.683 1.850 1.00 55.25 H new ATOM 0 HG21 THR A 97 17.971 -0.677 3.075 1.00 60.14 H new ATOM 0 HG22 THR A 97 19.097 -2.027 2.801 1.00 60.14 H new ATOM 0 HG23 THR A 97 18.848 -0.804 1.532 1.00 60.14 H new ATOM 1500 N ASP A 98 19.950 -3.998 1.228 1.00 13.43 N ATOM 1501 CA ASP A 98 20.967 -4.792 1.913 1.00 60.15 C ATOM 1502 C ASP A 98 20.768 -4.681 3.438 1.00 31.32 C ATOM 1503 O ASP A 98 20.515 -3.578 3.945 1.00 53.53 O ATOM 1504 CB ASP A 98 22.381 -4.313 1.512 1.00 74.25 C ATOM 1505 CG ASP A 98 23.494 -5.247 2.017 1.00 50.34 C ATOM 1506 OD1 ASP A 98 24.069 -4.994 3.094 1.00 10.20 O ATOM 1507 OD2 ASP A 98 23.793 -6.245 1.333 1.00 61.42 O1- ATOM 0 H ASP A 98 20.331 -3.238 0.665 1.00 13.43 H new ATOM 0 HA ASP A 98 20.866 -5.837 1.619 1.00 60.15 H new ATOM 0 HB2 ASP A 98 22.440 -4.239 0.426 1.00 74.25 H new ATOM 0 HB3 ASP A 98 22.546 -3.311 1.909 1.00 74.25 H new ATOM 1512 N VAL A 99 20.858 -5.816 4.142 1.00 31.13 N ATOM 1513 CA VAL A 99 20.658 -5.864 5.600 1.00 65.52 C ATOM 1514 C VAL A 99 21.728 -4.995 6.323 1.00 12.14 C ATOM 1515 O VAL A 99 22.924 -5.241 6.176 1.00 4.43 O ATOM 1516 CB VAL A 99 20.659 -7.353 6.142 1.00 33.23 C ATOM 1517 CG1 VAL A 99 19.385 -8.110 5.692 1.00 25.02 C ATOM 1518 CG2 VAL A 99 21.943 -8.123 5.721 1.00 3.55 C ATOM 0 H VAL A 99 21.070 -6.722 3.723 1.00 31.13 H new ATOM 0 HA VAL A 99 19.675 -5.448 5.819 1.00 65.52 H new ATOM 0 HB VAL A 99 20.656 -7.300 7.231 1.00 33.23 H new ATOM 0 HG11 VAL A 99 19.412 -9.129 6.078 1.00 25.02 H new ATOM 0 HG12 VAL A 99 18.503 -7.599 6.078 1.00 25.02 H new ATOM 0 HG13 VAL A 99 19.342 -8.135 4.603 1.00 25.02 H new ATOM 0 HG21 VAL A 99 21.903 -9.139 6.113 1.00 3.55 H new ATOM 0 HG22 VAL A 99 22.007 -8.156 4.633 1.00 3.55 H new ATOM 0 HG23 VAL A 99 22.820 -7.614 6.121 1.00 3.55 H new ATOM 1528 N PRO A 100 21.306 -3.922 7.080 1.00 61.44 N ATOM 1529 CA PRO A 100 22.257 -2.980 7.735 1.00 24.42 C ATOM 1530 C PRO A 100 23.009 -3.621 8.920 1.00 63.12 C ATOM 1531 O PRO A 100 23.978 -3.051 9.436 1.00 61.40 O ATOM 1532 CB PRO A 100 21.340 -1.821 8.192 1.00 52.44 C ATOM 1533 CG PRO A 100 20.002 -2.462 8.418 1.00 22.32 C ATOM 1534 CD PRO A 100 19.885 -3.543 7.359 1.00 64.13 C ATOM 0 HA PRO A 100 23.055 -2.660 7.065 1.00 24.42 H new ATOM 0 HB2 PRO A 100 21.715 -1.355 9.103 1.00 52.44 H new ATOM 0 HB3 PRO A 100 21.282 -1.039 7.435 1.00 52.44 H new ATOM 0 HG2 PRO A 100 19.934 -2.886 9.420 1.00 22.32 H new ATOM 0 HG3 PRO A 100 19.197 -1.733 8.325 1.00 22.32 H new ATOM 0 HD2 PRO A 100 19.307 -4.394 7.718 1.00 64.13 H new ATOM 0 HD3 PRO A 100 19.386 -3.174 6.463 1.00 64.13 H new ATOM 1542 N VAL A 101 22.539 -4.811 9.328 1.00 43.40 N ATOM 1543 CA VAL A 101 23.150 -5.613 10.397 1.00 43.03 C ATOM 1544 C VAL A 101 24.470 -6.255 9.929 1.00 52.41 C ATOM 1545 O VAL A 101 24.774 -6.270 8.729 1.00 22.31 O ATOM 1546 CB VAL A 101 22.159 -6.730 10.891 1.00 54.54 C ATOM 1547 CG1 VAL A 101 20.875 -6.102 11.475 1.00 63.41 C ATOM 1548 CG2 VAL A 101 21.831 -7.741 9.761 1.00 52.22 C ATOM 0 H VAL A 101 21.713 -5.248 8.918 1.00 43.40 H new ATOM 0 HA VAL A 101 23.369 -4.941 11.227 1.00 43.03 H new ATOM 0 HB VAL A 101 22.654 -7.287 11.687 1.00 54.54 H new ATOM 0 HG11 VAL A 101 20.204 -6.892 11.811 1.00 63.41 H new ATOM 0 HG12 VAL A 101 21.134 -5.463 12.319 1.00 63.41 H new ATOM 0 HG13 VAL A 101 20.380 -5.507 10.708 1.00 63.41 H new ATOM 0 HG21 VAL A 101 21.144 -8.498 10.138 1.00 52.22 H new ATOM 0 HG22 VAL A 101 21.369 -7.215 8.926 1.00 52.22 H new ATOM 0 HG23 VAL A 101 22.750 -8.221 9.424 1.00 52.22 H new ATOM 1558 N GLU A 102 25.244 -6.778 10.889 1.00 11.53 N ATOM 1559 CA GLU A 102 26.491 -7.505 10.605 1.00 45.20 C ATOM 1560 C GLU A 102 26.155 -8.864 9.957 1.00 0.15 C ATOM 1561 O GLU A 102 25.482 -9.703 10.573 1.00 32.53 O ATOM 1562 CB GLU A 102 27.304 -7.702 11.916 1.00 64.02 C ATOM 1563 CG GLU A 102 27.718 -6.395 12.629 1.00 2.13 C ATOM 1564 CD GLU A 102 28.740 -5.558 11.843 1.00 15.11 C ATOM 1565 OE1 GLU A 102 28.337 -4.700 11.037 1.00 31.11 O ATOM 1566 OE2 GLU A 102 29.954 -5.754 12.029 1.00 51.53 O1- ATOM 0 H GLU A 102 25.025 -6.710 11.883 1.00 11.53 H new ATOM 0 HA GLU A 102 27.102 -6.927 9.912 1.00 45.20 H new ATOM 0 HB2 GLU A 102 26.712 -8.303 12.606 1.00 64.02 H new ATOM 0 HB3 GLU A 102 28.203 -8.273 11.686 1.00 64.02 H new ATOM 0 HG2 GLU A 102 26.828 -5.791 12.807 1.00 2.13 H new ATOM 0 HG3 GLU A 102 28.137 -6.641 13.605 1.00 2.13 H new ATOM 1573 N GLN A 103 26.597 -9.047 8.706 1.00 32.15 N ATOM 1574 CA GLN A 103 26.375 -10.283 7.933 1.00 22.24 C ATOM 1575 C GLN A 103 27.264 -11.439 8.489 1.00 63.24 C ATOM 1576 O GLN A 103 28.270 -11.166 9.163 1.00 25.43 O ATOM 1577 CB GLN A 103 26.696 -10.042 6.424 1.00 41.13 C ATOM 1578 CG GLN A 103 25.826 -8.991 5.688 1.00 14.23 C ATOM 1579 CD GLN A 103 26.130 -7.532 6.046 1.00 71.11 C ATOM 1580 OE1 GLN A 103 27.244 -7.186 6.437 1.00 23.31 O ATOM 1581 NE2 GLN A 103 25.168 -6.657 5.851 1.00 12.10 N ATOM 0 H GLN A 103 27.123 -8.338 8.195 1.00 32.15 H new ATOM 0 HA GLN A 103 25.327 -10.568 8.030 1.00 22.24 H new ATOM 0 HB2 GLN A 103 27.740 -9.738 6.342 1.00 41.13 H new ATOM 0 HB3 GLN A 103 26.599 -10.992 5.899 1.00 41.13 H new ATOM 0 HG2 GLN A 103 25.958 -9.121 4.614 1.00 14.23 H new ATOM 0 HG3 GLN A 103 24.777 -9.192 5.907 1.00 14.23 H new ATOM 0 HE21 GLN A 103 24.253 -6.969 5.526 1.00 12.10 H new ATOM 0 HE22 GLN A 103 25.337 -5.666 6.024 1.00 12.10 H new ATOM 1590 N PRO A 104 26.912 -12.743 8.219 1.00 23.33 N ATOM 1591 CA PRO A 104 27.778 -13.901 8.582 1.00 33.15 C ATOM 1592 C PRO A 104 29.186 -13.783 7.947 1.00 52.23 C ATOM 1593 O PRO A 104 29.301 -13.480 6.756 1.00 40.25 O ATOM 1594 CB PRO A 104 27.005 -15.133 8.030 1.00 1.23 C ATOM 1595 CG PRO A 104 25.988 -14.571 7.070 1.00 74.21 C ATOM 1596 CD PRO A 104 25.643 -13.200 7.592 1.00 64.31 C ATOM 0 HA PRO A 104 27.958 -13.966 9.655 1.00 33.15 H new ATOM 0 HB2 PRO A 104 27.679 -15.826 7.527 1.00 1.23 H new ATOM 0 HB3 PRO A 104 26.521 -15.686 8.835 1.00 1.23 H new ATOM 0 HG2 PRO A 104 26.394 -14.514 6.060 1.00 74.21 H new ATOM 0 HG3 PRO A 104 25.103 -15.205 7.023 1.00 74.21 H new ATOM 0 HD2 PRO A 104 25.327 -12.532 6.791 1.00 64.31 H new ATOM 0 HD3 PRO A 104 24.828 -13.238 8.315 1.00 64.31 H new ATOM 1604 N PHE A 105 30.236 -14.016 8.753 1.00 72.35 N ATOM 1605 CA PHE A 105 31.647 -13.833 8.334 1.00 11.24 C ATOM 1606 C PHE A 105 32.017 -14.779 7.182 1.00 14.14 C ATOM 1607 O PHE A 105 32.705 -14.389 6.227 1.00 74.34 O ATOM 1608 CB PHE A 105 32.608 -14.074 9.526 1.00 11.11 C ATOM 1609 CG PHE A 105 32.365 -13.168 10.729 1.00 44.11 C ATOM 1610 CD1 PHE A 105 32.981 -11.919 10.815 1.00 41.32 C ATOM 1611 CD2 PHE A 105 31.531 -13.566 11.779 1.00 44.30 C ATOM 1612 CE1 PHE A 105 32.769 -11.103 11.906 1.00 23.02 C ATOM 1613 CE2 PHE A 105 31.320 -12.745 12.869 1.00 34.45 C ATOM 1614 CZ PHE A 105 31.940 -11.515 12.933 1.00 62.41 C ATOM 0 H PHE A 105 30.136 -14.337 9.716 1.00 72.35 H new ATOM 0 HA PHE A 105 31.751 -12.805 7.988 1.00 11.24 H new ATOM 0 HB2 PHE A 105 32.517 -15.112 9.845 1.00 11.11 H new ATOM 0 HB3 PHE A 105 33.633 -13.934 9.183 1.00 11.11 H new ATOM 0 HD1 PHE A 105 33.631 -11.588 10.018 1.00 41.32 H new ATOM 0 HD2 PHE A 105 31.045 -14.530 11.737 1.00 44.30 H new ATOM 0 HE1 PHE A 105 33.252 -10.139 11.959 1.00 23.02 H new ATOM 0 HE2 PHE A 105 30.670 -13.066 13.670 1.00 34.45 H new ATOM 0 HZ PHE A 105 31.778 -10.873 13.786 1.00 62.41 H new ATOM 1624 N VAL A 106 31.556 -16.032 7.303 1.00 54.03 N ATOM 1625 CA VAL A 106 31.803 -17.098 6.320 1.00 35.31 C ATOM 1626 C VAL A 106 30.513 -17.912 6.080 1.00 54.03 C ATOM 1627 O VAL A 106 30.280 -18.946 6.724 1.00 61.12 O ATOM 1628 CB VAL A 106 33.009 -18.034 6.761 1.00 45.34 C ATOM 1629 CG1 VAL A 106 34.372 -17.370 6.464 1.00 53.25 C ATOM 1630 CG2 VAL A 106 32.909 -18.414 8.264 1.00 22.40 C ATOM 0 H VAL A 106 30.993 -16.338 8.097 1.00 54.03 H new ATOM 0 HA VAL A 106 32.094 -16.632 5.379 1.00 35.31 H new ATOM 0 HB VAL A 106 32.939 -18.949 6.173 1.00 45.34 H new ATOM 0 HG11 VAL A 106 35.177 -18.035 6.777 1.00 53.25 H new ATOM 0 HG12 VAL A 106 34.457 -17.176 5.395 1.00 53.25 H new ATOM 0 HG13 VAL A 106 34.445 -16.430 7.010 1.00 53.25 H new ATOM 0 HG21 VAL A 106 33.749 -19.055 8.534 1.00 22.40 H new ATOM 0 HG22 VAL A 106 32.934 -17.509 8.871 1.00 22.40 H new ATOM 0 HG23 VAL A 106 31.975 -18.946 8.443 1.00 22.40 H new ATOM 1640 N HIS A 107 29.643 -17.411 5.173 1.00 71.30 N ATOM 1641 CA HIS A 107 28.409 -18.120 4.786 1.00 75.43 C ATOM 1642 C HIS A 107 28.704 -18.958 3.527 1.00 23.22 C ATOM 1643 O HIS A 107 29.263 -18.448 2.542 1.00 74.11 O ATOM 1644 CB HIS A 107 27.208 -17.134 4.581 1.00 53.13 C ATOM 1645 CG HIS A 107 27.161 -16.366 3.280 1.00 0.43 C ATOM 1646 ND1 HIS A 107 27.832 -15.187 3.077 1.00 44.43 N ATOM 1647 CD2 HIS A 107 26.488 -16.609 2.122 1.00 12.51 C ATOM 1648 CE1 HIS A 107 27.578 -14.737 1.868 1.00 64.43 C ATOM 1649 NE2 HIS A 107 26.767 -15.579 1.268 1.00 61.24 N ATOM 0 H HIS A 107 29.776 -16.518 4.698 1.00 71.30 H new ATOM 0 HA HIS A 107 28.101 -18.786 5.592 1.00 75.43 H new ATOM 0 HB2 HIS A 107 26.283 -17.704 4.671 1.00 53.13 H new ATOM 0 HB3 HIS A 107 27.219 -16.413 5.399 1.00 53.13 H new ATOM 0 HD2 HIS A 107 25.852 -17.457 1.916 1.00 12.51 H new ATOM 0 HE1 HIS A 107 27.971 -13.827 1.439 1.00 64.43 H new ATOM 0 HE2 HIS A 107 26.405 -15.480 0.320 1.00 61.24 H new ATOM 1658 N SER A 108 28.365 -20.247 3.590 1.00 55.24 N ATOM 1659 CA SER A 108 28.586 -21.215 2.507 1.00 41.30 C ATOM 1660 C SER A 108 27.227 -21.853 2.135 1.00 52.03 C ATOM 1661 O SER A 108 26.723 -22.700 2.890 1.00 21.02 O ATOM 1662 CB SER A 108 29.620 -22.279 2.965 1.00 75.31 C ATOM 1663 OG SER A 108 29.274 -22.847 4.224 1.00 21.43 O ATOM 0 H SER A 108 27.920 -20.658 4.411 1.00 55.24 H new ATOM 0 HA SER A 108 28.992 -20.724 1.622 1.00 41.30 H new ATOM 0 HB2 SER A 108 29.685 -23.068 2.216 1.00 75.31 H new ATOM 0 HB3 SER A 108 30.607 -21.821 3.032 1.00 75.31 H new ATOM 0 HG SER A 108 28.308 -23.009 4.256 1.00 21.43 H new ATOM 1669 N PRO A 109 26.559 -21.376 1.025 1.00 35.34 N ATOM 1670 CA PRO A 109 25.268 -21.940 0.557 1.00 4.21 C ATOM 1671 C PRO A 109 25.399 -23.431 0.191 1.00 5.14 C ATOM 1672 O PRO A 109 25.766 -23.783 -0.940 1.00 74.14 O ATOM 1673 CB PRO A 109 24.893 -21.048 -0.664 1.00 31.10 C ATOM 1674 CG PRO A 109 25.692 -19.789 -0.481 1.00 53.10 C ATOM 1675 CD PRO A 109 26.986 -20.229 0.169 1.00 43.02 C ATOM 0 HA PRO A 109 24.493 -21.924 1.323 1.00 4.21 H new ATOM 0 HB2 PRO A 109 25.141 -21.540 -1.604 1.00 31.10 H new ATOM 0 HB3 PRO A 109 23.824 -20.838 -0.687 1.00 31.10 H new ATOM 0 HG2 PRO A 109 25.878 -19.299 -1.437 1.00 53.10 H new ATOM 0 HG3 PRO A 109 25.160 -19.073 0.146 1.00 53.10 H new ATOM 0 HD2 PRO A 109 27.727 -20.532 -0.571 1.00 43.02 H new ATOM 0 HD3 PRO A 109 27.433 -19.429 0.759 1.00 43.02 H new ATOM 1683 N GLU A 110 25.165 -24.288 1.197 1.00 13.45 N ATOM 1684 CA GLU A 110 25.228 -25.746 1.060 1.00 14.30 C ATOM 1685 C GLU A 110 24.040 -26.222 0.198 1.00 2.24 C ATOM 1686 O GLU A 110 22.931 -26.449 0.704 1.00 73.22 O ATOM 1687 CB GLU A 110 25.222 -26.411 2.472 1.00 61.53 C ATOM 1688 CG GLU A 110 25.430 -27.945 2.484 1.00 65.11 C ATOM 1689 CD GLU A 110 26.821 -28.381 1.984 1.00 60.31 C ATOM 1690 OE1 GLU A 110 26.978 -28.640 0.774 1.00 24.30 O ATOM 1691 OE2 GLU A 110 27.762 -28.473 2.803 1.00 51.14 O1- ATOM 0 H GLU A 110 24.924 -23.981 2.139 1.00 13.45 H new ATOM 0 HA GLU A 110 26.152 -26.040 0.563 1.00 14.30 H new ATOM 0 HB2 GLU A 110 26.004 -25.951 3.075 1.00 61.53 H new ATOM 0 HB3 GLU A 110 24.272 -26.186 2.957 1.00 61.53 H new ATOM 0 HG2 GLU A 110 25.285 -28.315 3.499 1.00 65.11 H new ATOM 0 HG3 GLU A 110 24.666 -28.412 1.862 1.00 65.11 H new ATOM 1698 N ASP A 111 24.269 -26.284 -1.118 1.00 32.44 N ATOM 1699 CA ASP A 111 23.223 -26.559 -2.109 1.00 40.33 C ATOM 1700 C ASP A 111 23.105 -28.088 -2.349 1.00 55.42 C ATOM 1701 O ASP A 111 23.875 -28.637 -3.155 1.00 60.45 O ATOM 1702 CB ASP A 111 23.527 -25.774 -3.415 1.00 70.11 C ATOM 1703 CG ASP A 111 22.400 -25.882 -4.454 1.00 23.11 C ATOM 1704 OD1 ASP A 111 22.574 -26.573 -5.478 1.00 74.13 O ATOM 1705 OD2 ASP A 111 21.324 -25.292 -4.234 1.00 3.50 O1- ATOM 1706 OXT ASP A 111 22.256 -28.732 -1.699 1.00 37.89 O1- ATOM 0 H ASP A 111 25.192 -26.144 -1.528 1.00 32.44 H new ATOM 0 HA ASP A 111 22.256 -26.219 -1.738 1.00 40.33 H new ATOM 0 HB2 ASP A 111 23.691 -24.724 -3.172 1.00 70.11 H new ATOM 0 HB3 ASP A 111 24.453 -26.149 -3.851 1.00 70.11 H new TER 1711 ASP A 111