USER MOD reduce.3.24.130724 H: found=0, std=0, add=1075, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1075 hydrogens (27 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 29 TYR OH : rot 142:sc= 0.653 USER MOD Set 1.2: A 97 THR OG1 : rot 102:sc= 2.32 USER MOD Single : A 6 SER OG : rot 180:sc= -0.508 USER MOD Single : A 9 SER OG : rot 180:sc= -0.0717 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -153:sc= 0.211 (180deg=-0.151) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0.0882 K(o=0.088,f=-3.3!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0806) USER MOD Single : A 33 HIS : no HD1:sc= 1.03 K(o=1,f=-4.5!) USER MOD Single : A 38 SER OG : rot 170:sc= -0.485 USER MOD Single : A 47 ASN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.359 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 60:sc= -1.3 USER MOD Single : A 59 GLN : amide:sc= -0.142 K(o=-0.14,f=-1.7!) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc=-0.00512 X(o=-0.0051,f=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= -0.0862 X(o=-0.086,f=-0.086) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.357 USER MOD Single : A 72 SER OG : rot 119:sc= 0.193 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.466 K(o=-0.47,f=-1.5) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot 81:sc= -0.458 USER MOD Single : A 89 HIS : no HD1:sc= -2.01! C(o=-2!,f=-4.5!) USER MOD Single : A 90 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 95 LYS NZ :NH3+ 168:sc= -0.194 (180deg=-0.483) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 ASN : amide:sc= 0 X(o=0,f=-0.075) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 122 THR OG1 : rot 40:sc= 0.604 USER MOD Single : A 124 ASN : amide:sc= -0.283 X(o=-0.28,f=-0.084) USER MOD Single : A 125 ASN : amide:sc= -0.017 K(o=-0.017,f=-1.4) USER MOD Single : A 126 SER OG : rot 61:sc= 0.602 USER MOD Single : A 127 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 130 GLN : amide:sc=-0.00691 K(o=-0.0069,f=-1.2!) USER MOD Single : A 131 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 2 1.472 13.382 5.894 1.00 12.22 N ATOM 2 CA GLY A 2 1.523 14.433 6.894 1.00 10.00 C ATOM 3 C GLY A 2 1.768 13.893 8.289 1.00 44.34 C ATOM 4 O GLY A 2 2.233 14.617 9.169 1.00 42.43 O ATOM 0 HA2 GLY A 2 2.314 15.138 6.636 1.00 10.00 H new ATOM 0 HA3 GLY A 2 0.585 14.988 6.882 1.00 10.00 H new ATOM 8 N ALA A 3 1.453 12.618 8.493 1.00 15.10 N ATOM 9 CA ALA A 3 1.642 11.983 9.791 1.00 33.53 C ATOM 10 C ALA A 3 1.539 10.465 9.680 1.00 14.12 C ATOM 11 O ALA A 3 0.978 9.806 10.554 1.00 23.43 O ATOM 12 CB ALA A 3 0.624 12.511 10.791 1.00 74.01 C ATOM 0 H ALA A 3 1.066 12.005 7.776 1.00 15.10 H new ATOM 0 HA ALA A 3 2.643 12.228 10.145 1.00 33.53 H new ATOM 0 HB1 ALA A 3 0.777 12.028 11.756 1.00 74.01 H new ATOM 0 HB2 ALA A 3 0.747 13.588 10.901 1.00 74.01 H new ATOM 0 HB3 ALA A 3 -0.383 12.296 10.433 1.00 74.01 H new ATOM 18 N ARG A 4 2.085 9.918 8.598 1.00 0.23 N ATOM 19 CA ARG A 4 2.052 8.478 8.372 1.00 21.11 C ATOM 20 C ARG A 4 0.616 7.981 8.233 1.00 14.32 C ATOM 21 O ARG A 4 0.118 7.246 9.085 1.00 30.23 O ATOM 22 CB ARG A 4 2.749 7.744 9.519 1.00 22.32 C ATOM 23 CG ARG A 4 4.134 8.282 9.834 1.00 53.12 C ATOM 24 CD ARG A 4 4.794 7.497 10.958 1.00 14.14 C ATOM 25 NE ARG A 4 6.229 7.331 10.739 1.00 30.31 N ATOM 26 CZ ARG A 4 7.123 8.288 10.963 1.00 11.22 C ATOM 27 NH1 ARG A 4 6.732 9.473 11.410 1.00 2.11 N ATOM 28 NH2 ARG A 4 8.411 8.060 10.740 1.00 3.13 N ATOM 0 H ARG A 4 2.555 10.450 7.865 1.00 0.23 H new ATOM 0 HA ARG A 4 2.581 8.270 7.442 1.00 21.11 H new ATOM 0 HB2 ARG A 4 2.130 7.814 10.413 1.00 22.32 H new ATOM 0 HB3 ARG A 4 2.828 6.686 9.267 1.00 22.32 H new ATOM 0 HG2 ARG A 4 4.756 8.233 8.940 1.00 53.12 H new ATOM 0 HG3 ARG A 4 4.062 9.333 10.116 1.00 53.12 H new ATOM 0 HD2 ARG A 4 4.629 8.011 11.905 1.00 14.14 H new ATOM 0 HD3 ARG A 4 4.324 6.517 11.041 1.00 14.14 H new ATOM 0 HE ARG A 4 6.563 6.431 10.395 1.00 30.31 H new ATOM 0 HH11 ARG A 4 5.743 9.652 11.583 1.00 2.11 H new ATOM 0 HH12 ARG A 4 7.420 10.206 11.581 1.00 2.11 H new ATOM 0 HH21 ARG A 4 8.716 7.149 10.396 1.00 3.13 H new ATOM 0 HH22 ARG A 4 9.096 8.795 10.912 1.00 3.13 H new ATOM 42 N ALA A 5 -0.044 8.391 7.154 1.00 63.44 N ATOM 43 CA ALA A 5 -1.422 7.986 6.904 1.00 31.34 C ATOM 44 C ALA A 5 -1.494 6.932 5.803 1.00 40.34 C ATOM 45 O ALA A 5 -0.479 6.578 5.204 1.00 30.02 O ATOM 46 CB ALA A 5 -2.268 9.196 6.535 1.00 2.02 C ATOM 0 H ALA A 5 0.353 9.002 6.440 1.00 63.44 H new ATOM 0 HA ALA A 5 -1.817 7.545 7.819 1.00 31.34 H new ATOM 0 HB1 ALA A 5 -3.295 8.880 6.351 1.00 2.02 H new ATOM 0 HB2 ALA A 5 -2.251 9.915 7.354 1.00 2.02 H new ATOM 0 HB3 ALA A 5 -1.865 9.661 5.635 1.00 2.02 H new ATOM 52 N SER A 6 -2.698 6.435 5.544 1.00 45.15 N ATOM 53 CA SER A 6 -2.902 5.418 4.520 1.00 30.03 C ATOM 54 C SER A 6 -4.388 5.137 4.319 1.00 44.21 C ATOM 55 O SER A 6 -5.212 5.451 5.179 1.00 63.31 O ATOM 56 CB SER A 6 -2.175 4.128 4.900 1.00 72.45 C ATOM 57 OG SER A 6 -2.344 3.134 3.905 1.00 32.51 O ATOM 0 H SER A 6 -3.548 6.720 6.030 1.00 45.15 H new ATOM 0 HA SER A 6 -2.492 5.796 3.583 1.00 30.03 H new ATOM 0 HB2 SER A 6 -1.113 4.332 5.037 1.00 72.45 H new ATOM 0 HB3 SER A 6 -2.555 3.761 5.853 1.00 72.45 H new ATOM 0 HG SER A 6 -1.868 2.320 4.172 1.00 32.51 H new ATOM 63 N VAL A 7 -4.723 4.545 3.177 1.00 43.41 N ATOM 64 CA VAL A 7 -6.110 4.222 2.862 1.00 73.45 C ATOM 65 C VAL A 7 -6.444 2.789 3.265 1.00 54.10 C ATOM 66 O VAL A 7 -7.090 2.554 4.287 1.00 42.44 O ATOM 67 CB VAL A 7 -6.402 4.402 1.361 1.00 52.04 C ATOM 68 CG1 VAL A 7 -7.798 3.903 1.025 1.00 71.31 C ATOM 69 CG2 VAL A 7 -6.236 5.860 0.959 1.00 63.41 C ATOM 0 H VAL A 7 -4.053 4.279 2.455 1.00 43.41 H new ATOM 0 HA VAL A 7 -6.733 4.912 3.430 1.00 73.45 H new ATOM 0 HB VAL A 7 -5.685 3.808 0.794 1.00 52.04 H new ATOM 0 HG11 VAL A 7 -7.986 4.038 -0.040 1.00 71.31 H new ATOM 0 HG12 VAL A 7 -7.876 2.845 1.276 1.00 71.31 H new ATOM 0 HG13 VAL A 7 -8.534 4.467 1.598 1.00 71.31 H new ATOM 0 HG21 VAL A 7 -6.446 5.970 -0.105 1.00 63.41 H new ATOM 0 HG22 VAL A 7 -6.929 6.476 1.531 1.00 63.41 H new ATOM 0 HG23 VAL A 7 -5.214 6.179 1.162 1.00 63.41 H new ATOM 79 N LEU A 8 -6.000 1.834 2.457 1.00 13.15 N ATOM 80 CA LEU A 8 -6.251 0.423 2.728 1.00 32.31 C ATOM 81 C LEU A 8 -6.689 0.217 4.174 1.00 75.31 C ATOM 82 O LEU A 8 -5.936 0.497 5.107 1.00 34.41 O ATOM 83 CB LEU A 8 -4.996 -0.403 2.440 1.00 63.00 C ATOM 84 CG LEU A 8 -3.701 0.097 3.080 1.00 43.15 C ATOM 85 CD1 LEU A 8 -3.204 -0.892 4.124 1.00 3.33 C ATOM 86 CD2 LEU A 8 -2.637 0.334 2.019 1.00 1.14 C ATOM 0 H LEU A 8 -5.464 2.011 1.608 1.00 13.15 H new ATOM 0 HA LEU A 8 -7.056 0.089 2.073 1.00 32.31 H new ATOM 0 HB2 LEU A 8 -5.173 -1.425 2.776 1.00 63.00 H new ATOM 0 HB3 LEU A 8 -4.852 -0.443 1.360 1.00 63.00 H new ATOM 0 HG LEU A 8 -3.908 1.045 3.576 1.00 43.15 H new ATOM 0 HD11 LEU A 8 -2.281 -0.519 4.569 1.00 3.33 H new ATOM 0 HD12 LEU A 8 -3.959 -1.011 4.901 1.00 3.33 H new ATOM 0 HD13 LEU A 8 -3.015 -1.856 3.651 1.00 3.33 H new ATOM 0 HD21 LEU A 8 -1.723 0.690 2.494 1.00 1.14 H new ATOM 0 HD22 LEU A 8 -2.434 -0.599 1.493 1.00 1.14 H new ATOM 0 HD23 LEU A 8 -2.991 1.081 1.309 1.00 1.14 H new ATOM 98 N SER A 9 -7.909 -0.278 4.353 1.00 2.44 N ATOM 99 CA SER A 9 -8.448 -0.520 5.686 1.00 61.12 C ATOM 100 C SER A 9 -8.096 -1.925 6.167 1.00 22.21 C ATOM 101 O SER A 9 -7.324 -2.636 5.526 1.00 24.43 O ATOM 102 CB SER A 9 -9.967 -0.335 5.687 1.00 64.01 C ATOM 103 OG SER A 9 -10.631 -1.569 5.476 1.00 43.35 O ATOM 0 H SER A 9 -8.543 -0.519 3.592 1.00 2.44 H new ATOM 0 HA SER A 9 -8.001 0.203 6.368 1.00 61.12 H new ATOM 0 HB2 SER A 9 -10.284 0.094 6.638 1.00 64.01 H new ATOM 0 HB3 SER A 9 -10.251 0.372 4.908 1.00 64.01 H new ATOM 0 HG SER A 9 -11.600 -1.424 5.483 1.00 43.35 H new ATOM 109 N GLY A 10 -8.668 -2.317 7.301 1.00 44.15 N ATOM 110 CA GLY A 10 -8.403 -3.634 7.850 1.00 0.35 C ATOM 111 C GLY A 10 -8.816 -4.748 6.909 1.00 25.14 C ATOM 112 O GLY A 10 -7.988 -5.554 6.487 1.00 41.45 O ATOM 0 H GLY A 10 -9.311 -1.746 7.850 1.00 44.15 H new ATOM 0 HA2 GLY A 10 -7.340 -3.725 8.071 1.00 0.35 H new ATOM 0 HA3 GLY A 10 -8.935 -3.744 8.795 1.00 0.35 H new ATOM 116 N GLY A 11 -10.104 -4.795 6.580 1.00 22.42 N ATOM 117 CA GLY A 11 -10.604 -5.824 5.687 1.00 3.41 C ATOM 118 C GLY A 11 -9.712 -6.026 4.478 1.00 41.02 C ATOM 119 O GLY A 11 -9.550 -7.148 3.998 1.00 63.14 O ATOM 0 H GLY A 11 -10.809 -4.139 6.916 1.00 22.42 H new ATOM 0 HA2 GLY A 11 -10.690 -6.764 6.232 1.00 3.41 H new ATOM 0 HA3 GLY A 11 -11.607 -5.556 5.354 1.00 3.41 H new ATOM 123 N GLU A 12 -9.132 -4.936 3.984 1.00 23.32 N ATOM 124 CA GLU A 12 -8.253 -5.000 2.822 1.00 24.21 C ATOM 125 C GLU A 12 -6.834 -5.381 3.232 1.00 60.22 C ATOM 126 O GLU A 12 -6.147 -6.118 2.523 1.00 54.35 O ATOM 127 CB GLU A 12 -8.240 -3.657 2.090 1.00 10.51 C ATOM 128 CG GLU A 12 -7.793 -3.756 0.642 1.00 0.43 C ATOM 129 CD GLU A 12 -8.359 -2.645 -0.222 1.00 44.44 C ATOM 130 OE1 GLU A 12 -9.588 -2.629 -0.439 1.00 1.02 O ATOM 131 OE2 GLU A 12 -7.571 -1.790 -0.679 1.00 72.01 O ATOM 0 H GLU A 12 -9.255 -4.000 4.370 1.00 23.32 H new ATOM 0 HA GLU A 12 -8.637 -5.768 2.151 1.00 24.21 H new ATOM 0 HB2 GLU A 12 -9.240 -3.225 2.124 1.00 10.51 H new ATOM 0 HB3 GLU A 12 -7.579 -2.971 2.619 1.00 10.51 H new ATOM 0 HG2 GLU A 12 -6.704 -3.725 0.599 1.00 0.43 H new ATOM 0 HG3 GLU A 12 -8.101 -4.719 0.236 1.00 0.43 H new ATOM 138 N LEU A 13 -6.402 -4.876 4.383 1.00 13.44 N ATOM 139 CA LEU A 13 -5.064 -5.163 4.889 1.00 42.43 C ATOM 140 C LEU A 13 -4.823 -6.667 4.970 1.00 12.42 C ATOM 141 O LEU A 13 -3.712 -7.141 4.731 1.00 32.12 O ATOM 142 CB LEU A 13 -4.873 -4.529 6.268 1.00 71.13 C ATOM 143 CG LEU A 13 -3.753 -3.494 6.383 1.00 51.12 C ATOM 144 CD1 LEU A 13 -4.224 -2.283 7.174 1.00 1.21 C ATOM 145 CD2 LEU A 13 -2.522 -4.110 7.030 1.00 31.30 C ATOM 0 H LEU A 13 -6.958 -4.267 4.983 1.00 13.44 H new ATOM 0 HA LEU A 13 -4.340 -4.735 4.195 1.00 42.43 H new ATOM 0 HB2 LEU A 13 -5.810 -4.055 6.560 1.00 71.13 H new ATOM 0 HB3 LEU A 13 -4.680 -5.325 6.988 1.00 71.13 H new ATOM 0 HG LEU A 13 -3.485 -3.164 5.379 1.00 51.12 H new ATOM 0 HD11 LEU A 13 -3.414 -1.557 7.245 1.00 1.21 H new ATOM 0 HD12 LEU A 13 -5.076 -1.827 6.669 1.00 1.21 H new ATOM 0 HD13 LEU A 13 -4.521 -2.595 8.175 1.00 1.21 H new ATOM 0 HD21 LEU A 13 -1.735 -3.359 7.104 1.00 31.30 H new ATOM 0 HD22 LEU A 13 -2.776 -4.468 8.028 1.00 31.30 H new ATOM 0 HD23 LEU A 13 -2.171 -4.945 6.423 1.00 31.30 H new ATOM 157 N ASP A 14 -5.871 -7.411 5.307 1.00 14.54 N ATOM 158 CA ASP A 14 -5.773 -8.862 5.415 1.00 71.25 C ATOM 159 C ASP A 14 -5.157 -9.461 4.156 1.00 24.33 C ATOM 160 O ASP A 14 -4.487 -10.493 4.209 1.00 70.33 O ATOM 161 CB ASP A 14 -7.155 -9.469 5.662 1.00 70.33 C ATOM 162 CG ASP A 14 -7.166 -10.427 6.837 1.00 74.30 C ATOM 163 OD1 ASP A 14 -7.089 -9.953 7.990 1.00 70.22 O ATOM 164 OD2 ASP A 14 -7.252 -11.651 6.603 1.00 71.44 O ATOM 0 H ASP A 14 -6.797 -7.034 5.510 1.00 14.54 H new ATOM 0 HA ASP A 14 -5.125 -9.097 6.260 1.00 71.25 H new ATOM 0 HB2 ASP A 14 -7.873 -8.669 5.843 1.00 70.33 H new ATOM 0 HB3 ASP A 14 -7.483 -9.995 4.765 1.00 70.33 H new ATOM 169 N LYS A 15 -5.389 -8.810 3.021 1.00 42.45 N ATOM 170 CA LYS A 15 -4.858 -9.277 1.747 1.00 71.32 C ATOM 171 C LYS A 15 -3.440 -8.761 1.527 1.00 74.31 C ATOM 172 O LYS A 15 -2.630 -9.408 0.861 1.00 4.21 O ATOM 173 CB LYS A 15 -5.761 -8.823 0.597 1.00 1.11 C ATOM 174 CG LYS A 15 -6.551 -9.954 -0.038 1.00 14.12 C ATOM 175 CD LYS A 15 -5.900 -10.434 -1.324 1.00 14.14 C ATOM 176 CE LYS A 15 -4.531 -11.045 -1.062 1.00 2.45 C ATOM 177 NZ LYS A 15 -4.081 -11.902 -2.192 1.00 32.43 N ATOM 0 H LYS A 15 -5.943 -7.956 2.958 1.00 42.45 H new ATOM 0 HA LYS A 15 -4.830 -10.366 1.771 1.00 71.32 H new ATOM 0 HB2 LYS A 15 -6.456 -8.069 0.967 1.00 1.11 H new ATOM 0 HB3 LYS A 15 -5.149 -8.344 -0.167 1.00 1.11 H new ATOM 0 HG2 LYS A 15 -6.628 -10.784 0.664 1.00 14.12 H new ATOM 0 HG3 LYS A 15 -7.567 -9.618 -0.247 1.00 14.12 H new ATOM 0 HD2 LYS A 15 -6.543 -11.171 -1.805 1.00 14.14 H new ATOM 0 HD3 LYS A 15 -5.800 -9.598 -2.016 1.00 14.14 H new ATOM 0 HE2 LYS A 15 -3.804 -10.250 -0.897 1.00 2.45 H new ATOM 0 HE3 LYS A 15 -4.567 -11.638 -0.148 1.00 2.45 H new ATOM 0 HZ1 LYS A 15 -3.145 -12.299 -1.975 1.00 32.43 H new ATOM 0 HZ2 LYS A 15 -4.761 -12.676 -2.333 1.00 32.43 H new ATOM 0 HZ3 LYS A 15 -4.022 -11.331 -3.059 1.00 32.43 H new ATOM 191 N TRP A 16 -3.144 -7.596 2.092 1.00 62.20 N ATOM 192 CA TRP A 16 -1.821 -6.996 1.958 1.00 44.44 C ATOM 193 C TRP A 16 -0.790 -7.764 2.777 1.00 42.31 C ATOM 194 O TRP A 16 0.348 -7.942 2.346 1.00 34.01 O ATOM 195 CB TRP A 16 -1.856 -5.532 2.402 1.00 63.21 C ATOM 196 CG TRP A 16 -0.498 -4.907 2.492 1.00 52.30 C ATOM 197 CD1 TRP A 16 0.248 -4.727 3.622 1.00 35.14 C ATOM 198 CD2 TRP A 16 0.275 -4.377 1.410 1.00 12.45 C ATOM 199 NE1 TRP A 16 1.439 -4.117 3.306 1.00 42.33 N ATOM 200 CE2 TRP A 16 1.480 -3.892 1.956 1.00 42.42 C ATOM 201 CE3 TRP A 16 0.068 -4.265 0.033 1.00 33.34 C ATOM 202 CZ2 TRP A 16 2.470 -3.306 1.172 1.00 72.15 C ATOM 203 CZ3 TRP A 16 1.051 -3.683 -0.744 1.00 51.10 C ATOM 204 CH2 TRP A 16 2.240 -3.210 -0.173 1.00 32.12 C ATOM 0 H TRP A 16 -3.802 -7.048 2.647 1.00 62.20 H new ATOM 0 HA TRP A 16 -1.532 -7.044 0.908 1.00 44.44 H new ATOM 0 HB2 TRP A 16 -2.465 -4.961 1.701 1.00 63.21 H new ATOM 0 HB3 TRP A 16 -2.344 -5.466 3.375 1.00 63.21 H new ATOM 0 HD1 TRP A 16 -0.053 -5.020 4.617 1.00 35.14 H new ATOM 0 HE1 TRP A 16 2.173 -3.872 3.970 1.00 42.33 H new ATOM 0 HE3 TRP A 16 -0.845 -4.627 -0.416 1.00 33.34 H new ATOM 0 HZ2 TRP A 16 3.387 -2.940 1.610 1.00 72.15 H new ATOM 0 HZ3 TRP A 16 0.900 -3.591 -1.809 1.00 51.10 H new ATOM 0 HH2 TRP A 16 2.990 -2.761 -0.807 1.00 32.12 H new ATOM 215 N GLU A 17 -1.197 -8.216 3.959 1.00 52.21 N ATOM 216 CA GLU A 17 -0.305 -8.964 4.838 1.00 71.22 C ATOM 217 C GLU A 17 -0.153 -10.406 4.359 1.00 43.53 C ATOM 218 O GLU A 17 0.555 -11.204 4.973 1.00 32.23 O ATOM 219 CB GLU A 17 -0.833 -8.944 6.274 1.00 32.44 C ATOM 220 CG GLU A 17 -0.659 -7.605 6.968 1.00 5.30 C ATOM 221 CD GLU A 17 -1.036 -7.655 8.436 1.00 71.14 C ATOM 222 OE1 GLU A 17 -2.026 -8.339 8.770 1.00 72.53 O ATOM 223 OE2 GLU A 17 -0.343 -7.009 9.250 1.00 20.20 O ATOM 0 H GLU A 17 -2.137 -8.078 4.330 1.00 52.21 H new ATOM 0 HA GLU A 17 0.674 -8.486 4.813 1.00 71.22 H new ATOM 0 HB2 GLU A 17 -1.891 -9.205 6.267 1.00 32.44 H new ATOM 0 HB3 GLU A 17 -0.319 -9.712 6.852 1.00 32.44 H new ATOM 0 HG2 GLU A 17 0.378 -7.283 6.874 1.00 5.30 H new ATOM 0 HG3 GLU A 17 -1.272 -6.857 6.465 1.00 5.30 H new ATOM 230 N LYS A 18 -0.825 -10.731 3.260 1.00 71.12 N ATOM 231 CA LYS A 18 -0.765 -12.074 2.696 1.00 64.25 C ATOM 232 C LYS A 18 0.295 -12.161 1.604 1.00 54.42 C ATOM 233 O LYS A 18 0.767 -13.247 1.268 1.00 24.21 O ATOM 234 CB LYS A 18 -2.130 -12.472 2.129 1.00 42.24 C ATOM 235 CG LYS A 18 -2.252 -13.955 1.823 1.00 63.21 C ATOM 236 CD LYS A 18 -2.860 -14.717 2.989 1.00 71.31 C ATOM 237 CE LYS A 18 -4.345 -14.421 3.135 1.00 15.22 C ATOM 238 NZ LYS A 18 -4.636 -13.643 4.371 1.00 52.11 N ATOM 0 H LYS A 18 -1.418 -10.082 2.742 1.00 71.12 H new ATOM 0 HA LYS A 18 -0.494 -12.764 3.495 1.00 64.25 H new ATOM 0 HB2 LYS A 18 -2.906 -12.191 2.841 1.00 42.24 H new ATOM 0 HB3 LYS A 18 -2.315 -11.905 1.217 1.00 42.24 H new ATOM 0 HG2 LYS A 18 -2.868 -14.095 0.935 1.00 63.21 H new ATOM 0 HG3 LYS A 18 -1.267 -14.363 1.595 1.00 63.21 H new ATOM 0 HD2 LYS A 18 -2.714 -15.787 2.841 1.00 71.31 H new ATOM 0 HD3 LYS A 18 -2.342 -14.449 3.910 1.00 71.31 H new ATOM 0 HE2 LYS A 18 -4.692 -13.864 2.265 1.00 15.22 H new ATOM 0 HE3 LYS A 18 -4.902 -15.358 3.156 1.00 15.22 H new ATOM 0 HZ1 LYS A 18 -5.607 -13.841 4.685 1.00 52.11 H new ATOM 0 HZ2 LYS A 18 -3.968 -13.917 5.119 1.00 52.11 H new ATOM 0 HZ3 LYS A 18 -4.537 -12.627 4.173 1.00 52.11 H new ATOM 252 N ILE A 19 0.669 -11.009 1.057 1.00 10.34 N ATOM 253 CA ILE A 19 1.677 -10.955 0.004 1.00 23.10 C ATOM 254 C ILE A 19 3.082 -11.082 0.583 1.00 4.43 C ATOM 255 O ILE A 19 3.417 -10.432 1.572 1.00 72.23 O ATOM 256 CB ILE A 19 1.580 -9.646 -0.801 1.00 52.41 C ATOM 257 CG1 ILE A 19 0.174 -9.480 -1.380 1.00 31.32 C ATOM 258 CG2 ILE A 19 2.621 -9.629 -1.910 1.00 32.44 C ATOM 259 CD1 ILE A 19 -0.337 -8.057 -1.328 1.00 33.23 C ATOM 0 H ILE A 19 0.290 -10.101 1.325 1.00 10.34 H new ATOM 0 HA ILE A 19 1.484 -11.796 -0.663 1.00 23.10 H new ATOM 0 HB ILE A 19 1.777 -8.809 -0.131 1.00 52.41 H new ATOM 0 HG12 ILE A 19 0.174 -9.820 -2.416 1.00 31.32 H new ATOM 0 HG13 ILE A 19 -0.514 -10.125 -0.833 1.00 31.32 H new ATOM 0 HG21 ILE A 19 2.540 -8.698 -2.471 1.00 32.44 H new ATOM 0 HG22 ILE A 19 3.617 -9.706 -1.475 1.00 32.44 H new ATOM 0 HG23 ILE A 19 2.452 -10.472 -2.580 1.00 32.44 H new ATOM 0 HD11 ILE A 19 -1.339 -8.014 -1.755 1.00 33.23 H new ATOM 0 HD12 ILE A 19 -0.370 -7.720 -0.292 1.00 33.23 H new ATOM 0 HD13 ILE A 19 0.329 -7.410 -1.899 1.00 33.23 H new ATOM 271 N ARG A 20 3.900 -11.922 -0.044 1.00 50.51 N ATOM 272 CA ARG A 20 5.270 -12.133 0.408 1.00 64.14 C ATOM 273 C ARG A 20 6.180 -11.004 -0.068 1.00 1.43 C ATOM 274 O ARG A 20 5.814 -10.230 -0.955 1.00 54.02 O ATOM 275 CB ARG A 20 5.796 -13.476 -0.101 1.00 13.24 C ATOM 276 CG ARG A 20 4.955 -14.665 0.335 1.00 54.45 C ATOM 277 CD ARG A 20 5.807 -15.733 1.003 1.00 60.22 C ATOM 278 NE ARG A 20 4.993 -16.725 1.700 1.00 22.42 N ATOM 279 CZ ARG A 20 4.362 -17.720 1.086 1.00 34.23 C ATOM 280 NH1 ARG A 20 4.452 -17.856 -0.230 1.00 51.35 N ATOM 281 NH2 ARG A 20 3.640 -18.583 1.789 1.00 61.43 N ATOM 0 H ARG A 20 3.638 -12.467 -0.866 1.00 50.51 H new ATOM 0 HA ARG A 20 5.269 -12.140 1.498 1.00 64.14 H new ATOM 0 HB2 ARG A 20 5.838 -13.451 -1.190 1.00 13.24 H new ATOM 0 HB3 ARG A 20 6.817 -13.615 0.254 1.00 13.24 H new ATOM 0 HG2 ARG A 20 4.181 -14.331 1.025 1.00 54.45 H new ATOM 0 HG3 ARG A 20 4.448 -15.091 -0.531 1.00 54.45 H new ATOM 0 HD2 ARG A 20 6.420 -16.230 0.251 1.00 60.22 H new ATOM 0 HD3 ARG A 20 6.490 -15.262 1.710 1.00 60.22 H new ATOM 0 HE ARG A 20 4.904 -16.650 2.713 1.00 22.42 H new ATOM 0 HH11 ARG A 20 5.007 -17.196 -0.774 1.00 51.35 H new ATOM 0 HH12 ARG A 20 3.966 -18.621 -0.698 1.00 51.35 H new ATOM 0 HH21 ARG A 20 3.569 -18.483 2.802 1.00 61.43 H new ATOM 0 HH22 ARG A 20 3.156 -19.347 1.317 1.00 61.43 H new ATOM 295 N LEU A 21 7.365 -10.916 0.525 1.00 63.24 N ATOM 296 CA LEU A 21 8.327 -9.882 0.161 1.00 55.04 C ATOM 297 C LEU A 21 9.324 -10.403 -0.868 1.00 73.05 C ATOM 298 O LEU A 21 9.623 -9.730 -1.854 1.00 1.35 O ATOM 299 CB LEU A 21 9.071 -9.390 1.405 1.00 44.54 C ATOM 300 CG LEU A 21 8.196 -8.954 2.582 1.00 32.35 C ATOM 301 CD1 LEU A 21 9.055 -8.415 3.714 1.00 70.20 C ATOM 302 CD2 LEU A 21 7.183 -7.910 2.135 1.00 72.32 C ATOM 0 H LEU A 21 7.683 -11.548 1.260 1.00 63.24 H new ATOM 0 HA LEU A 21 7.779 -9.050 -0.281 1.00 55.04 H new ATOM 0 HB2 LEU A 21 9.734 -10.185 1.746 1.00 44.54 H new ATOM 0 HB3 LEU A 21 9.703 -8.550 1.117 1.00 44.54 H new ATOM 0 HG LEU A 21 7.653 -9.825 2.949 1.00 32.35 H new ATOM 0 HD11 LEU A 21 8.416 -8.110 4.542 1.00 70.20 H new ATOM 0 HD12 LEU A 21 9.741 -9.192 4.052 1.00 70.20 H new ATOM 0 HD13 LEU A 21 9.626 -7.556 3.361 1.00 70.20 H new ATOM 0 HD21 LEU A 21 6.569 -7.611 2.985 1.00 72.32 H new ATOM 0 HD22 LEU A 21 7.707 -7.039 1.742 1.00 72.32 H new ATOM 0 HD23 LEU A 21 6.546 -8.331 1.357 1.00 72.32 H new ATOM 314 N ARG A 22 9.836 -11.607 -0.632 1.00 3.10 N ATOM 315 CA ARG A 22 10.799 -12.220 -1.539 1.00 3.42 C ATOM 316 C ARG A 22 10.137 -13.305 -2.382 1.00 23.23 C ATOM 317 O ARG A 22 9.020 -13.743 -2.109 1.00 64.35 O ATOM 318 CB ARG A 22 11.969 -12.813 -0.751 1.00 45.41 C ATOM 319 CG ARG A 22 13.223 -11.957 -0.787 1.00 53.54 C ATOM 320 CD ARG A 22 13.494 -11.308 0.562 1.00 61.42 C ATOM 321 NE ARG A 22 14.891 -10.910 0.708 1.00 52.12 N ATOM 322 CZ ARG A 22 15.886 -11.773 0.880 1.00 34.45 C ATOM 323 NH1 ARG A 22 15.640 -13.075 0.926 1.00 25.12 N ATOM 324 NH2 ARG A 22 17.133 -11.334 1.005 1.00 63.44 N ATOM 0 H ARG A 22 9.600 -12.177 0.180 1.00 3.10 H new ATOM 0 HA ARG A 22 11.176 -11.445 -2.206 1.00 3.42 H new ATOM 0 HB2 ARG A 22 11.664 -12.952 0.286 1.00 45.41 H new ATOM 0 HB3 ARG A 22 12.202 -13.800 -1.150 1.00 45.41 H new ATOM 0 HG2 ARG A 22 14.076 -12.572 -1.074 1.00 53.54 H new ATOM 0 HG3 ARG A 22 13.116 -11.185 -1.549 1.00 53.54 H new ATOM 0 HD2 ARG A 22 12.854 -10.433 0.678 1.00 61.42 H new ATOM 0 HD3 ARG A 22 13.230 -12.004 1.358 1.00 61.42 H new ATOM 0 HE ARG A 22 15.115 -9.915 0.676 1.00 52.12 H new ATOM 0 HH11 ARG A 22 14.684 -13.417 0.829 1.00 25.12 H new ATOM 0 HH12 ARG A 22 16.407 -13.735 1.058 1.00 25.12 H new ATOM 0 HH21 ARG A 22 17.327 -10.333 0.969 1.00 63.44 H new ATOM 0 HH22 ARG A 22 17.896 -11.997 1.137 1.00 63.44 H new ATOM 338 N PRO A 23 10.841 -13.750 -3.434 1.00 40.41 N ATOM 339 CA PRO A 23 10.341 -14.789 -4.339 1.00 72.11 C ATOM 340 C PRO A 23 10.286 -16.159 -3.673 1.00 63.00 C ATOM 341 O PRO A 23 9.245 -16.815 -3.667 1.00 21.44 O ATOM 342 CB PRO A 23 11.364 -14.789 -5.477 1.00 33.23 C ATOM 343 CG PRO A 23 12.615 -14.264 -4.863 1.00 12.42 C ATOM 344 CD PRO A 23 12.180 -13.272 -3.820 1.00 62.23 C ATOM 0 HA PRO A 23 9.320 -14.590 -4.665 1.00 72.11 H new ATOM 0 HB2 PRO A 23 11.510 -15.792 -5.877 1.00 33.23 H new ATOM 0 HB3 PRO A 23 11.035 -14.160 -6.305 1.00 33.23 H new ATOM 0 HG2 PRO A 23 13.198 -15.069 -4.416 1.00 12.42 H new ATOM 0 HG3 PRO A 23 13.248 -13.790 -5.613 1.00 12.42 H new ATOM 0 HD2 PRO A 23 12.862 -13.257 -2.970 1.00 62.23 H new ATOM 0 HD3 PRO A 23 12.146 -12.258 -4.219 1.00 62.23 H new ATOM 352 N GLY A 24 11.412 -16.586 -3.110 1.00 53.22 N ATOM 353 CA GLY A 24 11.469 -17.876 -2.449 1.00 74.05 C ATOM 354 C GLY A 24 11.485 -17.753 -0.938 1.00 4.03 C ATOM 355 O GLY A 24 11.725 -18.731 -0.231 1.00 42.31 O ATOM 0 H GLY A 24 12.286 -16.061 -3.100 1.00 53.22 H new ATOM 0 HA2 GLY A 24 10.610 -18.475 -2.753 1.00 74.05 H new ATOM 0 HA3 GLY A 24 12.361 -18.410 -2.777 1.00 74.05 H new ATOM 359 N GLY A 25 11.229 -16.546 -0.441 1.00 40.00 N ATOM 360 CA GLY A 25 11.222 -16.321 0.992 1.00 45.31 C ATOM 361 C GLY A 25 9.876 -16.624 1.619 1.00 64.05 C ATOM 362 O GLY A 25 8.990 -17.182 0.971 1.00 10.32 O ATOM 0 H GLY A 25 11.027 -15.721 -1.006 1.00 40.00 H new ATOM 0 HA2 GLY A 25 11.985 -16.944 1.458 1.00 45.31 H new ATOM 0 HA3 GLY A 25 11.489 -15.284 1.195 1.00 45.31 H new ATOM 366 N LYS A 26 9.719 -16.257 2.887 1.00 60.42 N ATOM 367 CA LYS A 26 8.472 -16.493 3.605 1.00 24.54 C ATOM 368 C LYS A 26 7.980 -15.215 4.277 1.00 14.12 C ATOM 369 O LYS A 26 6.936 -15.206 4.929 1.00 3.33 O ATOM 370 CB LYS A 26 8.662 -17.593 4.651 1.00 64.12 C ATOM 371 CG LYS A 26 8.264 -18.974 4.162 1.00 42.11 C ATOM 372 CD LYS A 26 6.875 -19.358 4.644 1.00 21.44 C ATOM 373 CE LYS A 26 6.915 -20.585 5.542 1.00 1.11 C ATOM 374 NZ LYS A 26 5.612 -21.306 5.555 1.00 30.31 N ATOM 0 H LYS A 26 10.441 -15.794 3.439 1.00 60.42 H new ATOM 0 HA LYS A 26 7.721 -16.814 2.883 1.00 24.54 H new ATOM 0 HB2 LYS A 26 9.708 -17.613 4.959 1.00 64.12 H new ATOM 0 HB3 LYS A 26 8.074 -17.347 5.535 1.00 64.12 H new ATOM 0 HG2 LYS A 26 8.291 -18.997 3.073 1.00 42.11 H new ATOM 0 HG3 LYS A 26 8.988 -19.708 4.514 1.00 42.11 H new ATOM 0 HD2 LYS A 26 6.434 -18.523 5.187 1.00 21.44 H new ATOM 0 HD3 LYS A 26 6.233 -19.555 3.786 1.00 21.44 H new ATOM 0 HE2 LYS A 26 7.700 -21.260 5.200 1.00 1.11 H new ATOM 0 HE3 LYS A 26 7.173 -20.284 6.557 1.00 1.11 H new ATOM 0 HZ1 LYS A 26 5.681 -22.136 6.178 1.00 30.31 H new ATOM 0 HZ2 LYS A 26 4.867 -20.670 5.905 1.00 30.31 H new ATOM 0 HZ3 LYS A 26 5.377 -21.616 4.590 1.00 30.31 H new ATOM 388 N LYS A 27 8.740 -14.137 4.114 1.00 21.24 N ATOM 389 CA LYS A 27 8.381 -12.852 4.702 1.00 0.01 C ATOM 390 C LYS A 27 7.156 -12.260 4.012 1.00 33.02 C ATOM 391 O LYS A 27 6.995 -12.389 2.798 1.00 32.11 O ATOM 392 CB LYS A 27 9.556 -11.877 4.604 1.00 74.23 C ATOM 393 CG LYS A 27 10.665 -12.160 5.603 1.00 15.25 C ATOM 394 CD LYS A 27 10.343 -11.585 6.972 1.00 12.40 C ATOM 395 CE LYS A 27 10.112 -12.684 7.997 1.00 42.35 C ATOM 396 NZ LYS A 27 9.204 -12.240 9.091 1.00 32.03 N ATOM 0 H LYS A 27 9.609 -14.128 3.579 1.00 21.24 H new ATOM 0 HA LYS A 27 8.140 -13.016 5.752 1.00 0.01 H new ATOM 0 HB2 LYS A 27 9.968 -11.917 3.596 1.00 74.23 H new ATOM 0 HB3 LYS A 27 9.189 -10.862 4.758 1.00 74.23 H new ATOM 0 HG2 LYS A 27 10.815 -13.236 5.686 1.00 15.25 H new ATOM 0 HG3 LYS A 27 11.600 -11.735 5.240 1.00 15.25 H new ATOM 0 HD2 LYS A 27 11.162 -10.945 7.301 1.00 12.40 H new ATOM 0 HD3 LYS A 27 9.455 -10.957 6.904 1.00 12.40 H new ATOM 0 HE2 LYS A 27 9.686 -13.557 7.503 1.00 42.35 H new ATOM 0 HE3 LYS A 27 11.068 -12.992 8.421 1.00 42.35 H new ATOM 0 HZ1 LYS A 27 9.072 -13.017 9.769 1.00 32.03 H new ATOM 0 HZ2 LYS A 27 9.622 -11.422 9.579 1.00 32.03 H new ATOM 0 HZ3 LYS A 27 8.283 -11.970 8.690 1.00 32.03 H new ATOM 410 N GLN A 28 6.300 -11.609 4.791 1.00 64.32 N ATOM 411 CA GLN A 28 5.091 -10.997 4.253 1.00 45.22 C ATOM 412 C GLN A 28 5.201 -9.476 4.262 1.00 2.43 C ATOM 413 O GLN A 28 6.208 -8.919 4.700 1.00 44.44 O ATOM 414 CB GLN A 28 3.868 -11.436 5.060 1.00 41.25 C ATOM 415 CG GLN A 28 3.836 -12.927 5.355 1.00 63.11 C ATOM 416 CD GLN A 28 4.379 -13.262 6.731 1.00 45.20 C ATOM 417 OE1 GLN A 28 5.197 -12.527 7.284 1.00 4.32 O ATOM 418 NE2 GLN A 28 3.924 -14.377 7.291 1.00 62.12 N ATOM 0 H GLN A 28 6.421 -11.491 5.797 1.00 64.32 H new ATOM 0 HA GLN A 28 4.975 -11.329 3.221 1.00 45.22 H new ATOM 0 HB2 GLN A 28 3.849 -10.887 6.002 1.00 41.25 H new ATOM 0 HB3 GLN A 28 2.965 -11.163 4.513 1.00 41.25 H new ATOM 0 HG2 GLN A 28 2.810 -13.287 5.276 1.00 63.11 H new ATOM 0 HG3 GLN A 28 4.418 -13.455 4.600 1.00 63.11 H new ATOM 0 HE21 GLN A 28 3.246 -14.956 6.796 1.00 62.12 H new ATOM 0 HE22 GLN A 28 4.253 -14.654 8.216 1.00 62.12 H new ATOM 427 N TYR A 29 4.160 -8.810 3.772 1.00 53.32 N ATOM 428 CA TYR A 29 4.142 -7.353 3.721 1.00 3.22 C ATOM 429 C TYR A 29 3.449 -6.773 4.950 1.00 3.22 C ATOM 430 O TYR A 29 2.462 -7.324 5.439 1.00 50.40 O ATOM 431 CB TYR A 29 3.436 -6.876 2.450 1.00 51.34 C ATOM 432 CG TYR A 29 4.374 -6.643 1.288 1.00 34.30 C ATOM 433 CD1 TYR A 29 5.217 -5.538 1.260 1.00 11.32 C ATOM 434 CD2 TYR A 29 4.418 -7.527 0.217 1.00 41.13 C ATOM 435 CE1 TYR A 29 6.075 -5.321 0.199 1.00 41.00 C ATOM 436 CE2 TYR A 29 5.274 -7.319 -0.847 1.00 15.21 C ATOM 437 CZ TYR A 29 6.100 -6.214 -0.851 1.00 53.42 C ATOM 438 OH TYR A 29 6.954 -6.002 -1.910 1.00 60.32 O ATOM 0 H TYR A 29 3.319 -9.256 3.405 1.00 53.32 H new ATOM 0 HA TYR A 29 5.174 -7.002 3.710 1.00 3.22 H new ATOM 0 HB2 TYR A 29 2.689 -7.615 2.160 1.00 51.34 H new ATOM 0 HB3 TYR A 29 2.902 -5.951 2.666 1.00 51.34 H new ATOM 0 HD1 TYR A 29 5.201 -4.837 2.082 1.00 11.32 H new ATOM 0 HD2 TYR A 29 3.771 -8.392 0.216 1.00 41.13 H new ATOM 0 HE1 TYR A 29 6.722 -4.457 0.192 1.00 41.00 H new ATOM 0 HE2 TYR A 29 5.297 -8.017 -1.671 1.00 15.21 H new ATOM 0 HH TYR A 29 7.314 -6.860 -2.217 1.00 60.32 H new ATOM 448 N LYS A 30 3.971 -5.656 5.445 1.00 31.44 N ATOM 449 CA LYS A 30 3.404 -4.998 6.615 1.00 63.10 C ATOM 450 C LYS A 30 3.186 -3.512 6.351 1.00 0.34 C ATOM 451 O LYS A 30 3.846 -2.918 5.497 1.00 21.32 O ATOM 452 CB LYS A 30 4.323 -5.182 7.825 1.00 30.31 C ATOM 453 CG LYS A 30 3.597 -5.107 9.157 1.00 2.22 C ATOM 454 CD LYS A 30 4.257 -5.990 10.202 1.00 53.02 C ATOM 455 CE LYS A 30 3.558 -7.336 10.316 1.00 74.54 C ATOM 456 NZ LYS A 30 4.360 -8.431 9.703 1.00 53.24 N ATOM 0 H LYS A 30 4.787 -5.187 5.053 1.00 31.44 H new ATOM 0 HA LYS A 30 2.438 -5.457 6.827 1.00 63.10 H new ATOM 0 HB2 LYS A 30 4.823 -6.147 7.747 1.00 30.31 H new ATOM 0 HB3 LYS A 30 5.100 -4.418 7.800 1.00 30.31 H new ATOM 0 HG2 LYS A 30 3.583 -4.075 9.507 1.00 2.22 H new ATOM 0 HG3 LYS A 30 2.559 -5.412 9.024 1.00 2.22 H new ATOM 0 HD2 LYS A 30 5.304 -6.144 9.941 1.00 53.02 H new ATOM 0 HD3 LYS A 30 4.240 -5.487 11.169 1.00 53.02 H new ATOM 0 HE2 LYS A 30 3.376 -7.563 11.366 1.00 74.54 H new ATOM 0 HE3 LYS A 30 2.585 -7.282 9.829 1.00 74.54 H new ATOM 0 HZ1 LYS A 30 3.850 -9.332 9.801 1.00 53.24 H new ATOM 0 HZ2 LYS A 30 4.512 -8.227 8.695 1.00 53.24 H new ATOM 0 HZ3 LYS A 30 5.279 -8.500 10.185 1.00 53.24 H new ATOM 470 N LEU A 31 2.257 -2.914 7.089 1.00 43.23 N ATOM 471 CA LEU A 31 1.953 -1.496 6.935 1.00 45.21 C ATOM 472 C LEU A 31 3.231 -0.675 6.808 1.00 54.33 C ATOM 473 O LEU A 31 3.359 0.163 5.916 1.00 4.24 O ATOM 474 CB LEU A 31 1.130 -0.998 8.126 1.00 33.45 C ATOM 475 CG LEU A 31 -0.142 -0.221 7.785 1.00 64.04 C ATOM 476 CD1 LEU A 31 -1.238 -1.168 7.320 1.00 12.21 C ATOM 477 CD2 LEU A 31 -0.609 0.589 8.985 1.00 41.41 C ATOM 0 H LEU A 31 1.701 -3.389 7.800 1.00 43.23 H new ATOM 0 HA LEU A 31 1.372 -1.372 6.021 1.00 45.21 H new ATOM 0 HB2 LEU A 31 0.854 -1.858 8.736 1.00 33.45 H new ATOM 0 HB3 LEU A 31 1.766 -0.362 8.741 1.00 33.45 H new ATOM 0 HG LEU A 31 0.083 0.468 6.971 1.00 64.04 H new ATOM 0 HD11 LEU A 31 -2.135 -0.597 7.082 1.00 12.21 H new ATOM 0 HD12 LEU A 31 -0.903 -1.704 6.432 1.00 12.21 H new ATOM 0 HD13 LEU A 31 -1.462 -1.882 8.112 1.00 12.21 H new ATOM 0 HD21 LEU A 31 -1.515 1.136 8.725 1.00 41.41 H new ATOM 0 HD22 LEU A 31 -0.817 -0.082 9.818 1.00 41.41 H new ATOM 0 HD23 LEU A 31 0.170 1.295 9.273 1.00 41.41 H new ATOM 489 N LYS A 32 4.179 -0.923 7.707 1.00 13.32 N ATOM 490 CA LYS A 32 5.451 -0.211 7.693 1.00 55.04 C ATOM 491 C LYS A 32 5.925 0.031 6.264 1.00 50.45 C ATOM 492 O LYS A 32 6.409 1.116 5.935 1.00 61.41 O ATOM 493 CB LYS A 32 6.509 -1.001 8.466 1.00 14.13 C ATOM 494 CG LYS A 32 6.323 -0.957 9.973 1.00 41.52 C ATOM 495 CD LYS A 32 6.892 -2.197 10.642 1.00 43.41 C ATOM 496 CE LYS A 32 6.592 -2.214 12.133 1.00 2.42 C ATOM 497 NZ LYS A 32 5.148 -2.461 12.406 1.00 33.53 N ATOM 0 H LYS A 32 4.090 -1.612 8.454 1.00 13.32 H new ATOM 0 HA LYS A 32 5.303 0.755 8.175 1.00 55.04 H new ATOM 0 HB2 LYS A 32 6.487 -2.040 8.136 1.00 14.13 H new ATOM 0 HB3 LYS A 32 7.495 -0.609 8.219 1.00 14.13 H new ATOM 0 HG2 LYS A 32 6.811 -0.069 10.375 1.00 41.52 H new ATOM 0 HG3 LYS A 32 5.262 -0.871 10.207 1.00 41.52 H new ATOM 0 HD2 LYS A 32 6.473 -3.088 10.175 1.00 43.41 H new ATOM 0 HD3 LYS A 32 7.970 -2.233 10.486 1.00 43.41 H new ATOM 0 HE2 LYS A 32 7.190 -2.987 12.615 1.00 2.42 H new ATOM 0 HE3 LYS A 32 6.887 -1.262 12.574 1.00 2.42 H new ATOM 0 HZ1 LYS A 32 5.011 -2.634 13.422 1.00 33.53 H new ATOM 0 HZ2 LYS A 32 4.593 -1.630 12.118 1.00 33.53 H new ATOM 0 HZ3 LYS A 32 4.830 -3.292 11.868 1.00 33.53 H new ATOM 511 N HIS A 33 5.781 -0.983 5.417 1.00 74.44 N ATOM 512 CA HIS A 33 6.193 -0.879 4.022 1.00 33.42 C ATOM 513 C HIS A 33 5.280 0.074 3.257 1.00 22.45 C ATOM 514 O HIS A 33 5.816 0.898 2.515 1.00 21.11 O ATOM 515 CB HIS A 33 6.179 -2.258 3.360 1.00 51.32 C ATOM 516 CG HIS A 33 6.962 -3.291 4.113 1.00 25.15 C ATOM 517 ND1 HIS A 33 6.462 -4.539 4.417 1.00 41.22 N ATOM 518 CD2 HIS A 33 8.215 -3.255 4.620 1.00 33.04 C ATOM 519 CE1 HIS A 33 7.374 -5.226 5.081 1.00 51.23 C ATOM 520 NE2 HIS A 33 8.449 -4.470 5.217 1.00 3.34 N ATOM 0 H HIS A 33 5.382 -1.886 5.672 1.00 74.44 H new ATOM 0 HA HIS A 33 7.208 -0.482 3.997 1.00 33.42 H new ATOM 0 HB2 HIS A 33 5.147 -2.595 3.263 1.00 51.32 H new ATOM 0 HB3 HIS A 33 6.582 -2.172 2.351 1.00 51.32 H new ATOM 0 HD2 HIS A 33 8.904 -2.425 4.566 1.00 33.04 H new ATOM 0 HE1 HIS A 33 7.260 -6.235 5.450 1.00 51.23 H new ATOM 0 HE2 HIS A 33 9.311 -4.744 5.688 1.00 3.34 H new ATOM 528 N ILE A 34 3.962 -0.013 3.411 1.00 14.43 N ATOM 529 CA ILE A 34 3.052 0.877 2.701 1.00 4.51 C ATOM 530 C ILE A 34 3.370 2.339 2.995 1.00 10.51 C ATOM 531 O ILE A 34 3.636 3.124 2.084 1.00 25.11 O ATOM 532 CB ILE A 34 1.584 0.598 3.078 1.00 34.22 C ATOM 533 CG1 ILE A 34 1.243 -0.872 2.828 1.00 61.41 C ATOM 534 CG2 ILE A 34 0.653 1.505 2.289 1.00 22.21 C ATOM 535 CD1 ILE A 34 -0.154 -1.251 3.269 1.00 65.21 C ATOM 0 H ILE A 34 3.502 -0.690 4.020 1.00 14.43 H new ATOM 0 HA ILE A 34 3.190 0.685 1.637 1.00 4.51 H new ATOM 0 HB ILE A 34 1.450 0.808 4.139 1.00 34.22 H new ATOM 0 HG12 ILE A 34 1.350 -1.086 1.765 1.00 61.41 H new ATOM 0 HG13 ILE A 34 1.964 -1.498 3.353 1.00 61.41 H new ATOM 0 HG21 ILE A 34 -0.380 1.296 2.566 1.00 22.21 H new ATOM 0 HG22 ILE A 34 0.885 2.547 2.512 1.00 22.21 H new ATOM 0 HG23 ILE A 34 0.786 1.324 1.222 1.00 22.21 H new ATOM 0 HD11 ILE A 34 -0.327 -2.307 3.062 1.00 65.21 H new ATOM 0 HD12 ILE A 34 -0.260 -1.069 4.338 1.00 65.21 H new ATOM 0 HD13 ILE A 34 -0.883 -0.650 2.725 1.00 65.21 H new ATOM 547 N VAL A 35 3.345 2.699 4.275 1.00 43.41 N ATOM 548 CA VAL A 35 3.634 4.066 4.691 1.00 11.01 C ATOM 549 C VAL A 35 4.996 4.519 4.178 1.00 43.31 C ATOM 550 O VAL A 35 5.122 5.593 3.589 1.00 32.33 O ATOM 551 CB VAL A 35 3.602 4.205 6.224 1.00 32.43 C ATOM 552 CG1 VAL A 35 3.994 5.615 6.641 1.00 74.32 C ATOM 553 CG2 VAL A 35 2.225 3.844 6.763 1.00 15.15 C ATOM 0 H VAL A 35 3.127 2.062 5.042 1.00 43.41 H new ATOM 0 HA VAL A 35 2.858 4.699 4.261 1.00 11.01 H new ATOM 0 HB VAL A 35 4.327 3.511 6.650 1.00 32.43 H new ATOM 0 HG11 VAL A 35 3.966 5.694 7.728 1.00 74.32 H new ATOM 0 HG12 VAL A 35 5.002 5.832 6.288 1.00 74.32 H new ATOM 0 HG13 VAL A 35 3.295 6.330 6.207 1.00 74.32 H new ATOM 0 HG21 VAL A 35 2.220 3.948 7.848 1.00 15.15 H new ATOM 0 HG22 VAL A 35 1.479 4.511 6.331 1.00 15.15 H new ATOM 0 HG23 VAL A 35 1.988 2.814 6.496 1.00 15.15 H new ATOM 563 N TRP A 36 6.012 3.695 4.406 1.00 53.15 N ATOM 564 CA TRP A 36 7.367 4.011 3.966 1.00 44.55 C ATOM 565 C TRP A 36 7.391 4.348 2.480 1.00 73.23 C ATOM 566 O TRP A 36 8.295 5.036 2.006 1.00 2.13 O ATOM 567 CB TRP A 36 8.304 2.839 4.253 1.00 31.12 C ATOM 568 CG TRP A 36 9.686 3.035 3.706 1.00 62.15 C ATOM 569 CD1 TRP A 36 10.775 3.508 4.381 1.00 52.11 C ATOM 570 CD2 TRP A 36 10.125 2.767 2.370 1.00 24.34 C ATOM 571 NE1 TRP A 36 11.864 3.549 3.545 1.00 13.44 N ATOM 572 CE2 TRP A 36 11.493 3.099 2.306 1.00 64.41 C ATOM 573 CE3 TRP A 36 9.497 2.276 1.222 1.00 45.11 C ATOM 574 CZ2 TRP A 36 12.239 2.957 1.139 1.00 23.52 C ATOM 575 CZ3 TRP A 36 10.238 2.136 0.065 1.00 74.43 C ATOM 576 CH2 TRP A 36 11.598 2.474 0.031 1.00 33.44 C ATOM 0 H TRP A 36 5.924 2.803 4.893 1.00 53.15 H new ATOM 0 HA TRP A 36 7.710 4.884 4.522 1.00 44.55 H new ATOM 0 HB2 TRP A 36 8.366 2.688 5.331 1.00 31.12 H new ATOM 0 HB3 TRP A 36 7.878 1.930 3.828 1.00 31.12 H new ATOM 0 HD1 TRP A 36 10.779 3.806 5.419 1.00 52.11 H new ATOM 0 HE1 TRP A 36 12.799 3.864 3.805 1.00 13.44 H new ATOM 0 HE3 TRP A 36 8.450 2.011 1.239 1.00 45.11 H new ATOM 0 HZ2 TRP A 36 13.286 3.219 1.109 1.00 23.52 H new ATOM 0 HZ3 TRP A 36 9.762 1.760 -0.828 1.00 74.43 H new ATOM 0 HH2 TRP A 36 12.151 2.351 -0.888 1.00 33.44 H new ATOM 587 N ALA A 37 6.394 3.858 1.750 1.00 14.14 N ATOM 588 CA ALA A 37 6.303 4.110 0.317 1.00 62.24 C ATOM 589 C ALA A 37 5.565 5.414 0.035 1.00 4.13 C ATOM 590 O ALA A 37 6.040 6.254 -0.730 1.00 22.15 O ATOM 591 CB ALA A 37 5.609 2.947 -0.379 1.00 41.32 C ATOM 0 H ALA A 37 5.639 3.285 2.127 1.00 14.14 H new ATOM 0 HA ALA A 37 7.315 4.204 -0.076 1.00 62.24 H new ATOM 0 HB1 ALA A 37 5.547 3.148 -1.449 1.00 41.32 H new ATOM 0 HB2 ALA A 37 6.178 2.032 -0.214 1.00 41.32 H new ATOM 0 HB3 ALA A 37 4.604 2.828 0.026 1.00 41.32 H new ATOM 597 N SER A 38 4.401 5.577 0.656 1.00 34.23 N ATOM 598 CA SER A 38 3.596 6.778 0.468 1.00 62.30 C ATOM 599 C SER A 38 4.374 8.024 0.881 1.00 41.22 C ATOM 600 O SER A 38 4.273 9.072 0.243 1.00 42.34 O ATOM 601 CB SER A 38 2.300 6.680 1.275 1.00 3.30 C ATOM 602 OG SER A 38 1.839 5.341 1.340 1.00 14.42 O ATOM 0 H SER A 38 3.995 4.892 1.294 1.00 34.23 H new ATOM 0 HA SER A 38 3.351 6.859 -0.591 1.00 62.30 H new ATOM 0 HB2 SER A 38 2.466 7.060 2.283 1.00 3.30 H new ATOM 0 HB3 SER A 38 1.536 7.309 0.819 1.00 3.30 H new ATOM 0 HG SER A 38 1.107 5.278 1.989 1.00 14.42 H new ATOM 608 N ARG A 39 5.149 7.901 1.953 1.00 5.10 N ATOM 609 CA ARG A 39 5.943 9.017 2.454 1.00 41.11 C ATOM 610 C ARG A 39 7.043 9.388 1.463 1.00 42.52 C ATOM 611 O ARG A 39 7.655 10.450 1.572 1.00 74.42 O ATOM 612 CB ARG A 39 6.559 8.664 3.809 1.00 0.21 C ATOM 613 CG ARG A 39 5.725 9.122 4.994 1.00 73.24 C ATOM 614 CD ARG A 39 5.774 10.633 5.160 1.00 21.51 C ATOM 615 NE ARG A 39 5.239 11.059 6.450 1.00 23.02 N ATOM 616 CZ ARG A 39 5.443 12.265 6.968 1.00 0.43 C ATOM 617 NH1 ARG A 39 6.167 13.160 6.309 1.00 32.21 N ATOM 618 NH2 ARG A 39 4.922 12.579 8.147 1.00 1.31 N ATOM 0 H ARG A 39 5.244 7.040 2.492 1.00 5.10 H new ATOM 0 HA ARG A 39 5.283 9.876 2.576 1.00 41.11 H new ATOM 0 HB2 ARG A 39 6.695 7.584 3.867 1.00 0.21 H new ATOM 0 HB3 ARG A 39 7.549 9.114 3.877 1.00 0.21 H new ATOM 0 HG2 ARG A 39 4.692 8.803 4.858 1.00 73.24 H new ATOM 0 HG3 ARG A 39 6.089 8.643 5.903 1.00 73.24 H new ATOM 0 HD2 ARG A 39 6.804 10.975 5.064 1.00 21.51 H new ATOM 0 HD3 ARG A 39 5.206 11.104 4.358 1.00 21.51 H new ATOM 0 HE ARG A 39 4.678 10.394 6.983 1.00 23.02 H new ATOM 0 HH11 ARG A 39 6.569 12.923 5.402 1.00 32.21 H new ATOM 0 HH12 ARG A 39 6.322 14.085 6.709 1.00 32.21 H new ATOM 0 HH21 ARG A 39 4.364 11.894 8.657 1.00 1.31 H new ATOM 0 HH22 ARG A 39 5.079 13.505 8.544 1.00 1.31 H new ATOM 632 N GLU A 40 7.287 8.506 0.500 1.00 50.41 N ATOM 633 CA GLU A 40 8.315 8.742 -0.509 1.00 44.34 C ATOM 634 C GLU A 40 7.733 9.471 -1.717 1.00 51.34 C ATOM 635 O GLU A 40 8.363 10.371 -2.275 1.00 12.11 O ATOM 636 CB GLU A 40 8.940 7.417 -0.950 1.00 22.04 C ATOM 637 CG GLU A 40 10.292 7.578 -1.626 1.00 61.42 C ATOM 638 CD GLU A 40 10.211 7.440 -3.134 1.00 51.33 C ATOM 639 OE1 GLU A 40 9.105 7.618 -3.686 1.00 64.43 O ATOM 640 OE2 GLU A 40 11.252 7.156 -3.761 1.00 42.12 O ATOM 0 H GLU A 40 6.788 7.622 0.396 1.00 50.41 H new ATOM 0 HA GLU A 40 9.088 9.370 -0.066 1.00 44.34 H new ATOM 0 HB2 GLU A 40 9.053 6.770 -0.080 1.00 22.04 H new ATOM 0 HB3 GLU A 40 8.258 6.913 -1.635 1.00 22.04 H new ATOM 0 HG2 GLU A 40 10.705 8.555 -1.376 1.00 61.42 H new ATOM 0 HG3 GLU A 40 10.982 6.831 -1.233 1.00 61.42 H new ATOM 647 N LEU A 41 6.530 9.076 -2.116 1.00 52.12 N ATOM 648 CA LEU A 41 5.863 9.691 -3.258 1.00 30.13 C ATOM 649 C LEU A 41 5.831 11.210 -3.118 1.00 24.21 C ATOM 650 O LEU A 41 6.100 11.936 -4.073 1.00 43.41 O ATOM 651 CB LEU A 41 4.439 9.149 -3.395 1.00 1.11 C ATOM 652 CG LEU A 41 4.311 7.724 -3.934 1.00 15.02 C ATOM 653 CD1 LEU A 41 2.849 7.313 -4.015 1.00 72.43 C ATOM 654 CD2 LEU A 41 4.976 7.610 -5.299 1.00 24.30 C ATOM 0 H LEU A 41 5.996 8.333 -1.666 1.00 52.12 H new ATOM 0 HA LEU A 41 6.428 9.440 -4.156 1.00 30.13 H new ATOM 0 HB2 LEU A 41 3.961 9.190 -2.416 1.00 1.11 H new ATOM 0 HB3 LEU A 41 3.880 9.816 -4.051 1.00 1.11 H new ATOM 0 HG LEU A 41 4.819 7.048 -3.246 1.00 15.02 H new ATOM 0 HD11 LEU A 41 2.778 6.296 -4.401 1.00 72.43 H new ATOM 0 HD12 LEU A 41 2.403 7.356 -3.021 1.00 72.43 H new ATOM 0 HD13 LEU A 41 2.317 7.992 -4.681 1.00 72.43 H new ATOM 0 HD21 LEU A 41 4.876 6.589 -5.668 1.00 24.30 H new ATOM 0 HD22 LEU A 41 4.496 8.297 -5.996 1.00 24.30 H new ATOM 0 HD23 LEU A 41 6.033 7.862 -5.211 1.00 24.30 H new ATOM 666 N GLU A 42 5.501 11.681 -1.919 1.00 1.02 N ATOM 667 CA GLU A 42 5.435 13.113 -1.654 1.00 44.02 C ATOM 668 C GLU A 42 6.738 13.800 -2.050 1.00 72.24 C ATOM 669 O GLU A 42 6.731 14.901 -2.599 1.00 4.33 O ATOM 670 CB GLU A 42 5.140 13.367 -0.174 1.00 21.21 C ATOM 671 CG GLU A 42 3.778 13.994 0.076 1.00 35.03 C ATOM 672 CD GLU A 42 3.802 15.506 -0.039 1.00 1.11 C ATOM 673 OE1 GLU A 42 4.075 16.013 -1.147 1.00 35.13 O ATOM 674 OE2 GLU A 42 3.546 16.182 0.980 1.00 13.02 O ATOM 0 H GLU A 42 5.276 11.092 -1.117 1.00 1.02 H new ATOM 0 HA GLU A 42 4.627 13.531 -2.255 1.00 44.02 H new ATOM 0 HB2 GLU A 42 5.201 12.423 0.367 1.00 21.21 H new ATOM 0 HB3 GLU A 42 5.912 14.019 0.235 1.00 21.21 H new ATOM 0 HG2 GLU A 42 3.060 13.590 -0.638 1.00 35.03 H new ATOM 0 HG3 GLU A 42 3.430 13.714 1.071 1.00 35.03 H new ATOM 681 N ARG A 43 7.857 13.142 -1.764 1.00 31.35 N ATOM 682 CA ARG A 43 9.169 13.689 -2.088 1.00 54.21 C ATOM 683 C ARG A 43 9.484 13.507 -3.570 1.00 10.33 C ATOM 684 O ARG A 43 10.292 14.241 -4.138 1.00 12.44 O ATOM 685 CB ARG A 43 10.250 13.015 -1.240 1.00 61.10 C ATOM 686 CG ARG A 43 11.440 13.913 -0.944 1.00 31.43 C ATOM 687 CD ARG A 43 12.682 13.454 -1.692 1.00 74.31 C ATOM 688 NE ARG A 43 12.841 14.147 -2.968 1.00 21.30 N ATOM 689 CZ ARG A 43 13.136 15.438 -3.071 1.00 1.04 C ATOM 690 NH1 ARG A 43 13.303 16.173 -1.981 1.00 74.22 N ATOM 691 NH2 ARG A 43 13.264 15.996 -4.268 1.00 24.14 N ATOM 0 H ARG A 43 7.881 12.230 -1.309 1.00 31.35 H new ATOM 0 HA ARG A 43 9.154 14.756 -1.866 1.00 54.21 H new ATOM 0 HB2 ARG A 43 9.810 12.688 -0.298 1.00 61.10 H new ATOM 0 HB3 ARG A 43 10.600 12.121 -1.756 1.00 61.10 H new ATOM 0 HG2 ARG A 43 11.202 14.939 -1.226 1.00 31.43 H new ATOM 0 HG3 ARG A 43 11.639 13.914 0.128 1.00 31.43 H new ATOM 0 HD2 ARG A 43 13.562 13.628 -1.073 1.00 74.31 H new ATOM 0 HD3 ARG A 43 12.623 12.380 -1.868 1.00 74.31 H new ATOM 0 HE ARG A 43 12.719 13.610 -3.827 1.00 21.30 H new ATOM 0 HH11 ARG A 43 13.205 15.748 -1.059 1.00 74.22 H new ATOM 0 HH12 ARG A 43 13.529 17.164 -2.064 1.00 74.22 H new ATOM 0 HH21 ARG A 43 13.136 15.434 -5.109 1.00 24.14 H new ATOM 0 HH22 ARG A 43 13.491 16.987 -4.347 1.00 24.14 H new ATOM 705 N PHE A 44 8.839 12.525 -4.190 1.00 12.34 N ATOM 706 CA PHE A 44 9.051 12.246 -5.606 1.00 63.21 C ATOM 707 C PHE A 44 8.067 13.032 -6.468 1.00 14.54 C ATOM 708 O PHE A 44 7.730 12.620 -7.577 1.00 34.11 O ATOM 709 CB PHE A 44 8.901 10.748 -5.880 1.00 31.32 C ATOM 710 CG PHE A 44 10.208 10.008 -5.892 1.00 21.24 C ATOM 711 CD1 PHE A 44 11.162 10.242 -4.915 1.00 12.44 C ATOM 712 CD2 PHE A 44 10.483 9.078 -6.882 1.00 71.44 C ATOM 713 CE1 PHE A 44 12.365 9.562 -4.923 1.00 15.40 C ATOM 714 CE2 PHE A 44 11.684 8.395 -6.894 1.00 32.52 C ATOM 715 CZ PHE A 44 12.628 8.638 -5.915 1.00 44.15 C ATOM 0 H PHE A 44 8.165 11.909 -3.735 1.00 12.34 H new ATOM 0 HA PHE A 44 10.063 12.557 -5.865 1.00 63.21 H new ATOM 0 HB2 PHE A 44 8.252 10.311 -5.121 1.00 31.32 H new ATOM 0 HB3 PHE A 44 8.406 10.610 -6.841 1.00 31.32 H new ATOM 0 HD1 PHE A 44 10.963 10.965 -4.138 1.00 12.44 H new ATOM 0 HD2 PHE A 44 9.751 8.885 -7.652 1.00 71.44 H new ATOM 0 HE1 PHE A 44 13.099 9.753 -4.154 1.00 15.40 H new ATOM 0 HE2 PHE A 44 11.885 7.671 -7.669 1.00 32.52 H new ATOM 0 HZ PHE A 44 13.568 8.107 -5.925 1.00 44.15 H new ATOM 725 N ALA A 45 7.611 14.167 -5.949 1.00 52.11 N ATOM 726 CA ALA A 45 6.669 15.013 -6.671 1.00 60.51 C ATOM 727 C ALA A 45 5.431 14.225 -7.087 1.00 72.53 C ATOM 728 O ALA A 45 4.737 14.593 -8.035 1.00 52.34 O ATOM 729 CB ALA A 45 7.339 15.629 -7.890 1.00 43.23 C ATOM 0 H ALA A 45 7.879 14.522 -5.031 1.00 52.11 H new ATOM 0 HA ALA A 45 6.351 15.813 -6.002 1.00 60.51 H new ATOM 0 HB1 ALA A 45 6.623 16.258 -8.419 1.00 43.23 H new ATOM 0 HB2 ALA A 45 8.188 16.234 -7.572 1.00 43.23 H new ATOM 0 HB3 ALA A 45 7.686 14.837 -8.554 1.00 43.23 H new ATOM 735 N VAL A 46 5.161 13.136 -6.373 1.00 51.10 N ATOM 736 CA VAL A 46 4.007 12.296 -6.668 1.00 63.30 C ATOM 737 C VAL A 46 3.000 12.323 -5.524 1.00 41.43 C ATOM 738 O VAL A 46 3.372 12.229 -4.355 1.00 63.33 O ATOM 739 CB VAL A 46 4.427 10.838 -6.933 1.00 64.45 C ATOM 740 CG1 VAL A 46 3.203 9.951 -7.101 1.00 25.24 C ATOM 741 CG2 VAL A 46 5.326 10.757 -8.157 1.00 31.04 C ATOM 0 H VAL A 46 5.726 12.816 -5.587 1.00 51.10 H new ATOM 0 HA VAL A 46 3.542 12.702 -7.567 1.00 63.30 H new ATOM 0 HB VAL A 46 4.990 10.479 -6.072 1.00 64.45 H new ATOM 0 HG11 VAL A 46 3.520 8.925 -7.287 1.00 25.24 H new ATOM 0 HG12 VAL A 46 2.601 9.986 -6.193 1.00 25.24 H new ATOM 0 HG13 VAL A 46 2.609 10.306 -7.943 1.00 25.24 H new ATOM 0 HG21 VAL A 46 5.613 9.720 -8.329 1.00 31.04 H new ATOM 0 HG22 VAL A 46 4.790 11.135 -9.028 1.00 31.04 H new ATOM 0 HG23 VAL A 46 6.220 11.358 -7.992 1.00 31.04 H new ATOM 751 N ASN A 47 1.723 12.452 -5.869 1.00 62.11 N ATOM 752 CA ASN A 47 0.662 12.491 -4.869 1.00 3.34 C ATOM 753 C ASN A 47 0.488 11.129 -4.205 1.00 21.23 C ATOM 754 O ASN A 47 0.422 10.093 -4.866 1.00 21.12 O ATOM 755 CB ASN A 47 -0.657 12.930 -5.512 1.00 33.00 C ATOM 756 CG ASN A 47 -0.648 14.394 -5.909 1.00 35.42 C ATOM 757 OD1 ASN A 47 -0.147 15.244 -5.173 1.00 41.20 O ATOM 758 ND2 ASN A 47 -1.204 14.693 -7.076 1.00 32.34 N ATOM 0 H ASN A 47 1.398 12.531 -6.833 1.00 62.11 H new ATOM 0 HA ASN A 47 0.945 13.214 -4.104 1.00 3.34 H new ATOM 0 HB2 ASN A 47 -0.849 12.319 -6.394 1.00 33.00 H new ATOM 0 HB3 ASN A 47 -1.475 12.750 -4.815 1.00 33.00 H new ATOM 0 HD21 ASN A 47 -1.228 15.661 -7.396 1.00 32.34 H new ATOM 0 HD22 ASN A 47 -1.607 13.955 -7.653 1.00 32.34 H new ATOM 765 N PRO A 48 0.412 11.128 -2.866 1.00 10.40 N ATOM 766 CA PRO A 48 0.244 9.901 -2.083 1.00 54.12 C ATOM 767 C PRO A 48 -1.139 9.285 -2.260 1.00 43.14 C ATOM 768 O PRO A 48 -1.408 8.187 -1.775 1.00 32.53 O ATOM 769 CB PRO A 48 0.440 10.371 -0.640 1.00 43.21 C ATOM 770 CG PRO A 48 0.076 11.816 -0.659 1.00 21.11 C ATOM 771 CD PRO A 48 0.483 12.327 -2.014 1.00 60.15 C ATOM 0 HA PRO A 48 0.942 9.123 -2.390 1.00 54.12 H new ATOM 0 HB2 PRO A 48 -0.194 9.812 0.048 1.00 43.21 H new ATOM 0 HB3 PRO A 48 1.470 10.226 -0.313 1.00 43.21 H new ATOM 0 HG2 PRO A 48 -0.993 11.951 -0.496 1.00 21.11 H new ATOM 0 HG3 PRO A 48 0.591 12.359 0.134 1.00 21.11 H new ATOM 0 HD2 PRO A 48 -0.188 13.111 -2.366 1.00 60.15 H new ATOM 0 HD3 PRO A 48 1.487 12.750 -1.999 1.00 60.15 H new ATOM 779 N GLY A 49 -2.017 10.002 -2.957 1.00 63.32 N ATOM 780 CA GLY A 49 -3.362 9.509 -3.184 1.00 25.45 C ATOM 781 C GLY A 49 -3.437 8.544 -4.352 1.00 54.23 C ATOM 782 O GLY A 49 -4.389 7.771 -4.469 1.00 45.41 O ATOM 0 H GLY A 49 -1.820 10.915 -3.368 1.00 63.32 H new ATOM 0 HA2 GLY A 49 -3.720 9.012 -2.283 1.00 25.45 H new ATOM 0 HA3 GLY A 49 -4.028 10.352 -3.370 1.00 25.45 H new ATOM 786 N LEU A 50 -2.431 8.587 -5.218 1.00 1.42 N ATOM 787 CA LEU A 50 -2.386 7.711 -6.383 1.00 71.21 C ATOM 788 C LEU A 50 -2.416 6.245 -5.963 1.00 64.33 C ATOM 789 O LEU A 50 -2.967 5.397 -6.667 1.00 1.34 O ATOM 790 CB LEU A 50 -1.129 7.991 -7.209 1.00 5.12 C ATOM 791 CG LEU A 50 -1.061 9.362 -7.883 1.00 32.54 C ATOM 792 CD1 LEU A 50 0.283 9.551 -8.570 1.00 2.45 C ATOM 793 CD2 LEU A 50 -2.199 9.523 -8.880 1.00 64.42 C ATOM 0 H LEU A 50 -1.635 9.220 -5.135 1.00 1.42 H new ATOM 0 HA LEU A 50 -3.266 7.914 -6.993 1.00 71.21 H new ATOM 0 HB2 LEU A 50 -0.260 7.884 -6.559 1.00 5.12 H new ATOM 0 HB3 LEU A 50 -1.047 7.225 -7.980 1.00 5.12 H new ATOM 0 HG LEU A 50 -1.166 10.129 -7.116 1.00 32.54 H new ATOM 0 HD11 LEU A 50 0.314 10.532 -9.045 1.00 2.45 H new ATOM 0 HD12 LEU A 50 1.082 9.479 -7.832 1.00 2.45 H new ATOM 0 HD13 LEU A 50 0.417 8.778 -9.326 1.00 2.45 H new ATOM 0 HD21 LEU A 50 -2.135 10.504 -9.350 1.00 64.42 H new ATOM 0 HD22 LEU A 50 -2.125 8.749 -9.644 1.00 64.42 H new ATOM 0 HD23 LEU A 50 -3.153 9.431 -8.361 1.00 64.42 H new ATOM 805 N LEU A 51 -1.823 5.953 -4.812 1.00 74.54 N ATOM 806 CA LEU A 51 -1.783 4.588 -4.295 1.00 53.12 C ATOM 807 C LEU A 51 -3.162 4.148 -3.815 1.00 23.31 C ATOM 808 O LEU A 51 -3.377 2.975 -3.510 1.00 25.20 O ATOM 809 CB LEU A 51 -0.774 4.484 -3.149 1.00 2.14 C ATOM 810 CG LEU A 51 0.656 4.916 -3.474 1.00 34.20 C ATOM 811 CD1 LEU A 51 1.504 4.946 -2.211 1.00 25.14 C ATOM 812 CD2 LEU A 51 1.272 3.985 -4.509 1.00 50.04 C ATOM 0 H LEU A 51 -1.363 6.642 -4.218 1.00 74.54 H new ATOM 0 HA LEU A 51 -1.472 3.928 -5.105 1.00 53.12 H new ATOM 0 HB2 LEU A 51 -1.135 5.089 -2.317 1.00 2.14 H new ATOM 0 HB3 LEU A 51 -0.751 3.450 -2.804 1.00 2.14 H new ATOM 0 HG LEU A 51 0.625 5.922 -3.892 1.00 34.20 H new ATOM 0 HD11 LEU A 51 2.519 5.256 -2.461 1.00 25.14 H new ATOM 0 HD12 LEU A 51 1.074 5.652 -1.501 1.00 25.14 H new ATOM 0 HD13 LEU A 51 1.528 3.952 -1.765 1.00 25.14 H new ATOM 0 HD21 LEU A 51 2.290 4.307 -4.728 1.00 50.04 H new ATOM 0 HD22 LEU A 51 1.290 2.968 -4.118 1.00 50.04 H new ATOM 0 HD23 LEU A 51 0.678 4.012 -5.422 1.00 50.04 H new ATOM 824 N GLU A 52 -4.093 5.094 -3.755 1.00 54.45 N ATOM 825 CA GLU A 52 -5.451 4.802 -3.313 1.00 44.22 C ATOM 826 C GLU A 52 -6.205 4.000 -4.369 1.00 31.53 C ATOM 827 O GLU A 52 -7.076 3.190 -4.046 1.00 12.25 O ATOM 828 CB GLU A 52 -6.203 6.101 -3.010 1.00 21.52 C ATOM 829 CG GLU A 52 -7.578 5.879 -2.402 1.00 1.41 C ATOM 830 CD GLU A 52 -8.127 7.125 -1.734 1.00 51.22 C ATOM 831 OE1 GLU A 52 -7.343 8.070 -1.505 1.00 71.31 O ATOM 832 OE2 GLU A 52 -9.339 7.155 -1.438 1.00 5.21 O ATOM 0 H GLU A 52 -3.932 6.069 -4.007 1.00 54.45 H new ATOM 0 HA GLU A 52 -5.390 4.205 -2.403 1.00 44.22 H new ATOM 0 HB2 GLU A 52 -5.606 6.706 -2.327 1.00 21.52 H new ATOM 0 HB3 GLU A 52 -6.310 6.673 -3.932 1.00 21.52 H new ATOM 0 HG2 GLU A 52 -8.268 5.555 -3.181 1.00 1.41 H new ATOM 0 HG3 GLU A 52 -7.522 5.073 -1.670 1.00 1.41 H new ATOM 839 N THR A 53 -5.865 4.229 -5.634 1.00 54.33 N ATOM 840 CA THR A 53 -6.510 3.529 -6.738 1.00 43.44 C ATOM 841 C THR A 53 -5.486 2.795 -7.595 1.00 61.50 C ATOM 842 O THR A 53 -4.355 3.252 -7.758 1.00 23.11 O ATOM 843 CB THR A 53 -7.307 4.500 -7.628 1.00 12.23 C ATOM 844 OG1 THR A 53 -6.453 5.054 -8.636 1.00 33.24 O ATOM 845 CG2 THR A 53 -7.914 5.622 -6.799 1.00 11.01 C ATOM 0 H THR A 53 -5.146 4.894 -5.919 1.00 54.33 H new ATOM 0 HA THR A 53 -7.196 2.806 -6.297 1.00 43.44 H new ATOM 0 HB THR A 53 -8.115 3.942 -8.102 1.00 12.23 H new ATOM 0 HG1 THR A 53 -6.968 5.669 -9.199 1.00 33.24 H new ATOM 0 HG21 THR A 53 -8.472 6.295 -7.450 1.00 11.01 H new ATOM 0 HG22 THR A 53 -8.586 5.200 -6.052 1.00 11.01 H new ATOM 0 HG23 THR A 53 -7.119 6.177 -6.300 1.00 11.01 H new ATOM 853 N SER A 54 -5.890 1.652 -8.142 1.00 5.43 N ATOM 854 CA SER A 54 -5.007 0.852 -8.982 1.00 73.15 C ATOM 855 C SER A 54 -4.490 1.670 -10.161 1.00 11.10 C ATOM 856 O SER A 54 -3.328 1.549 -10.552 1.00 45.33 O ATOM 857 CB SER A 54 -5.739 -0.391 -9.490 1.00 40.11 C ATOM 858 OG SER A 54 -5.951 -0.320 -10.889 1.00 23.42 O ATOM 0 H SER A 54 -6.823 1.260 -8.018 1.00 5.43 H new ATOM 0 HA SER A 54 -4.155 0.541 -8.377 1.00 73.15 H new ATOM 0 HB2 SER A 54 -5.158 -1.282 -9.252 1.00 40.11 H new ATOM 0 HB3 SER A 54 -6.696 -0.488 -8.978 1.00 40.11 H new ATOM 0 HG SER A 54 -6.419 -1.127 -11.190 1.00 23.42 H new ATOM 864 N GLU A 55 -5.360 2.502 -10.723 1.00 4.12 N ATOM 865 CA GLU A 55 -4.993 3.339 -11.859 1.00 54.42 C ATOM 866 C GLU A 55 -3.847 4.279 -11.494 1.00 60.13 C ATOM 867 O GLU A 55 -2.917 4.473 -12.274 1.00 74.00 O ATOM 868 CB GLU A 55 -6.199 4.150 -12.335 1.00 5.02 C ATOM 869 CG GLU A 55 -6.468 4.024 -13.826 1.00 51.23 C ATOM 870 CD GLU A 55 -6.250 5.327 -14.570 1.00 40.12 C ATOM 871 OE1 GLU A 55 -7.182 6.158 -14.595 1.00 51.22 O ATOM 872 OE2 GLU A 55 -5.148 5.515 -15.128 1.00 65.44 O ATOM 0 H GLU A 55 -6.324 2.615 -10.410 1.00 4.12 H new ATOM 0 HA GLU A 55 -4.662 2.686 -12.666 1.00 54.42 H new ATOM 0 HB2 GLU A 55 -7.083 3.826 -11.786 1.00 5.02 H new ATOM 0 HB3 GLU A 55 -6.039 5.200 -12.091 1.00 5.02 H new ATOM 0 HG2 GLU A 55 -5.817 3.257 -14.245 1.00 51.23 H new ATOM 0 HG3 GLU A 55 -7.494 3.690 -13.979 1.00 51.23 H new ATOM 879 N GLY A 56 -3.923 4.860 -10.300 1.00 65.54 N ATOM 880 CA GLY A 56 -2.888 5.772 -9.851 1.00 31.54 C ATOM 881 C GLY A 56 -1.501 5.167 -9.947 1.00 31.24 C ATOM 882 O GLY A 56 -0.554 5.832 -10.370 1.00 53.54 O ATOM 0 H GLY A 56 -4.683 4.715 -9.636 1.00 65.54 H new ATOM 0 HA2 GLY A 56 -2.926 6.683 -10.449 1.00 31.54 H new ATOM 0 HA3 GLY A 56 -3.085 6.060 -8.818 1.00 31.54 H new ATOM 886 N CYS A 57 -1.380 3.904 -9.554 1.00 14.51 N ATOM 887 CA CYS A 57 -0.096 3.210 -9.596 1.00 44.13 C ATOM 888 C CYS A 57 0.438 3.140 -11.022 1.00 51.51 C ATOM 889 O CYS A 57 1.630 3.336 -11.259 1.00 32.31 O ATOM 890 CB CYS A 57 -0.237 1.800 -9.021 1.00 44.52 C ATOM 891 SG CYS A 57 -1.029 1.741 -7.396 1.00 0.04 S ATOM 0 H CYS A 57 -2.154 3.339 -9.203 1.00 14.51 H new ATOM 0 HA CYS A 57 0.614 3.773 -8.990 1.00 44.13 H new ATOM 0 HB2 CYS A 57 -0.814 1.191 -9.717 1.00 44.52 H new ATOM 0 HB3 CYS A 57 0.752 1.348 -8.948 1.00 44.52 H new ATOM 0 HG CYS A 57 -2.223 2.250 -7.476 1.00 0.04 H new ATOM 897 N ARG A 58 -0.452 2.860 -11.969 1.00 1.40 N ATOM 898 CA ARG A 58 -0.069 2.761 -13.372 1.00 42.54 C ATOM 899 C ARG A 58 0.757 3.972 -13.796 1.00 3.05 C ATOM 900 O ARG A 58 1.646 3.863 -14.640 1.00 40.50 O ATOM 901 CB ARG A 58 -1.313 2.644 -14.254 1.00 11.05 C ATOM 902 CG ARG A 58 -0.998 2.448 -15.728 1.00 31.12 C ATOM 903 CD ARG A 58 -2.265 2.388 -16.567 1.00 54.01 C ATOM 904 NE ARG A 58 -2.320 1.183 -17.390 1.00 63.42 N ATOM 905 CZ ARG A 58 -3.332 0.892 -18.201 1.00 74.24 C ATOM 906 NH1 ARG A 58 -4.366 1.715 -18.296 1.00 14.32 N ATOM 907 NH2 ARG A 58 -3.309 -0.224 -18.917 1.00 33.44 N ATOM 0 H ARG A 58 -1.443 2.698 -11.790 1.00 1.40 H new ATOM 0 HA ARG A 58 0.541 1.866 -13.495 1.00 42.54 H new ATOM 0 HB2 ARG A 58 -1.917 1.806 -13.906 1.00 11.05 H new ATOM 0 HB3 ARG A 58 -1.917 3.544 -14.137 1.00 11.05 H new ATOM 0 HG2 ARG A 58 -0.367 3.265 -16.078 1.00 31.12 H new ATOM 0 HG3 ARG A 58 -0.429 1.528 -15.860 1.00 31.12 H new ATOM 0 HD2 ARG A 58 -3.135 2.419 -15.912 1.00 54.01 H new ATOM 0 HD3 ARG A 58 -2.317 3.268 -17.208 1.00 54.01 H new ATOM 0 HE ARG A 58 -1.539 0.529 -17.340 1.00 63.42 H new ATOM 0 HH11 ARG A 58 -4.386 2.574 -17.746 1.00 14.32 H new ATOM 0 HH12 ARG A 58 -5.142 1.490 -18.919 1.00 14.32 H new ATOM 0 HH21 ARG A 58 -2.514 -0.860 -18.845 1.00 33.44 H new ATOM 0 HH22 ARG A 58 -4.086 -0.447 -19.539 1.00 33.44 H new ATOM 921 N GLN A 59 0.453 5.125 -13.208 1.00 71.12 N ATOM 922 CA GLN A 59 1.167 6.356 -13.527 1.00 50.12 C ATOM 923 C GLN A 59 2.467 6.453 -12.734 1.00 4.15 C ATOM 924 O GLN A 59 3.466 6.979 -13.225 1.00 21.12 O ATOM 925 CB GLN A 59 0.285 7.571 -13.234 1.00 53.00 C ATOM 926 CG GLN A 59 0.281 8.603 -14.351 1.00 62.11 C ATOM 927 CD GLN A 59 0.226 10.026 -13.830 1.00 24.14 C ATOM 928 OE1 GLN A 59 -0.047 10.259 -12.653 1.00 73.41 O ATOM 929 NE2 GLN A 59 0.484 10.987 -14.709 1.00 52.41 N ATOM 0 H GLN A 59 -0.282 5.232 -12.509 1.00 71.12 H new ATOM 0 HA GLN A 59 1.412 6.340 -14.589 1.00 50.12 H new ATOM 0 HB2 GLN A 59 -0.737 7.234 -13.058 1.00 53.00 H new ATOM 0 HB3 GLN A 59 0.627 8.045 -12.314 1.00 53.00 H new ATOM 0 HG2 GLN A 59 1.176 8.477 -14.960 1.00 62.11 H new ATOM 0 HG3 GLN A 59 -0.575 8.425 -15.002 1.00 62.11 H new ATOM 0 HE21 GLN A 59 0.706 10.748 -15.675 1.00 52.41 H new ATOM 0 HE22 GLN A 59 0.460 11.964 -14.418 1.00 52.41 H new ATOM 938 N ILE A 60 2.446 5.942 -11.508 1.00 5.42 N ATOM 939 CA ILE A 60 3.623 5.970 -10.649 1.00 1.33 C ATOM 940 C ILE A 60 4.689 5.002 -11.146 1.00 12.14 C ATOM 941 O ILE A 60 5.813 5.403 -11.455 1.00 33.11 O ATOM 942 CB ILE A 60 3.265 5.620 -9.193 1.00 53.14 C ATOM 943 CG1 ILE A 60 2.151 6.536 -8.683 1.00 12.11 C ATOM 944 CG2 ILE A 60 4.496 5.729 -8.305 1.00 43.12 C ATOM 945 CD1 ILE A 60 1.495 6.042 -7.413 1.00 71.31 C ATOM 0 H ILE A 60 1.627 5.504 -11.087 1.00 5.42 H new ATOM 0 HA ILE A 60 4.015 6.986 -10.684 1.00 1.33 H new ATOM 0 HB ILE A 60 2.906 4.591 -9.160 1.00 53.14 H new ATOM 0 HG12 ILE A 60 2.562 7.530 -8.507 1.00 12.11 H new ATOM 0 HG13 ILE A 60 1.392 6.637 -9.459 1.00 12.11 H new ATOM 0 HG21 ILE A 60 4.228 5.479 -7.279 1.00 43.12 H new ATOM 0 HG22 ILE A 60 5.262 5.039 -8.658 1.00 43.12 H new ATOM 0 HG23 ILE A 60 4.882 6.748 -8.341 1.00 43.12 H new ATOM 0 HD11 ILE A 60 0.715 6.741 -7.110 1.00 71.31 H new ATOM 0 HD12 ILE A 60 1.054 5.061 -7.589 1.00 71.31 H new ATOM 0 HD13 ILE A 60 2.242 5.968 -6.623 1.00 71.31 H new ATOM 957 N LEU A 61 4.331 3.725 -11.224 1.00 71.45 N ATOM 958 CA LEU A 61 5.258 2.697 -11.686 1.00 62.23 C ATOM 959 C LEU A 61 5.904 3.101 -13.007 1.00 23.42 C ATOM 960 O LEU A 61 7.050 2.749 -13.283 1.00 53.41 O ATOM 961 CB LEU A 61 4.530 1.362 -11.848 1.00 64.53 C ATOM 962 CG LEU A 61 3.996 0.727 -10.561 1.00 14.34 C ATOM 963 CD1 LEU A 61 2.946 -0.324 -10.881 1.00 73.12 C ATOM 964 CD2 LEU A 61 5.135 0.120 -9.755 1.00 35.34 C ATOM 0 H LEU A 61 3.406 3.376 -10.973 1.00 71.45 H new ATOM 0 HA LEU A 61 6.043 2.587 -10.938 1.00 62.23 H new ATOM 0 HB2 LEU A 61 3.694 1.508 -12.532 1.00 64.53 H new ATOM 0 HB3 LEU A 61 5.210 0.655 -12.323 1.00 64.53 H new ATOM 0 HG LEU A 61 3.527 1.506 -9.960 1.00 14.34 H new ATOM 0 HD11 LEU A 61 2.578 -0.764 -9.954 1.00 73.12 H new ATOM 0 HD12 LEU A 61 2.118 0.140 -11.416 1.00 73.12 H new ATOM 0 HD13 LEU A 61 3.388 -1.103 -11.502 1.00 73.12 H new ATOM 0 HD21 LEU A 61 4.738 -0.327 -8.844 1.00 35.34 H new ATOM 0 HD22 LEU A 61 5.632 -0.647 -10.349 1.00 35.34 H new ATOM 0 HD23 LEU A 61 5.852 0.899 -9.495 1.00 35.34 H new ATOM 976 N GLY A 62 5.159 3.841 -13.822 1.00 3.41 N ATOM 977 CA GLY A 62 5.676 4.283 -15.104 1.00 31.45 C ATOM 978 C GLY A 62 6.742 5.351 -14.963 1.00 34.14 C ATOM 979 O GLY A 62 7.682 5.405 -15.755 1.00 53.30 O ATOM 0 H GLY A 62 4.206 4.142 -13.617 1.00 3.41 H new ATOM 0 HA2 GLY A 62 6.091 3.429 -15.639 1.00 31.45 H new ATOM 0 HA3 GLY A 62 4.856 4.670 -15.709 1.00 31.45 H new ATOM 983 N GLN A 63 6.595 6.202 -13.954 1.00 61.00 N ATOM 984 CA GLN A 63 7.553 7.275 -13.714 1.00 44.10 C ATOM 985 C GLN A 63 8.762 6.762 -12.939 1.00 5.13 C ATOM 986 O GLN A 63 9.748 7.479 -12.763 1.00 54.12 O ATOM 987 CB GLN A 63 6.887 8.419 -12.945 1.00 72.21 C ATOM 988 CG GLN A 63 6.813 9.717 -13.731 1.00 13.30 C ATOM 989 CD GLN A 63 6.414 10.900 -12.869 1.00 30.25 C ATOM 990 OE1 GLN A 63 7.245 11.740 -12.525 1.00 53.40 O ATOM 991 NE2 GLN A 63 5.136 10.969 -12.515 1.00 14.44 N ATOM 0 H GLN A 63 5.822 6.170 -13.289 1.00 61.00 H new ATOM 0 HA GLN A 63 7.895 7.646 -14.680 1.00 44.10 H new ATOM 0 HB2 GLN A 63 5.879 8.117 -12.662 1.00 72.21 H new ATOM 0 HB3 GLN A 63 7.438 8.594 -12.021 1.00 72.21 H new ATOM 0 HG2 GLN A 63 7.782 9.916 -14.188 1.00 13.30 H new ATOM 0 HG3 GLN A 63 6.094 9.605 -14.543 1.00 13.30 H new ATOM 0 HE21 GLN A 63 4.482 10.250 -12.823 1.00 14.44 H new ATOM 0 HE22 GLN A 63 4.809 11.741 -11.935 1.00 14.44 H new ATOM 1000 N LEU A 64 8.680 5.519 -12.480 1.00 61.25 N ATOM 1001 CA LEU A 64 9.768 4.910 -11.722 1.00 21.52 C ATOM 1002 C LEU A 64 10.423 3.786 -12.520 1.00 21.43 C ATOM 1003 O LEU A 64 11.583 3.445 -12.292 1.00 41.53 O ATOM 1004 CB LEU A 64 9.249 4.368 -10.390 1.00 45.42 C ATOM 1005 CG LEU A 64 8.923 5.414 -9.322 1.00 50.21 C ATOM 1006 CD1 LEU A 64 8.341 4.750 -8.085 1.00 43.14 C ATOM 1007 CD2 LEU A 64 10.167 6.215 -8.964 1.00 42.15 C ATOM 0 H LEU A 64 7.872 4.912 -12.619 1.00 61.25 H new ATOM 0 HA LEU A 64 10.516 5.678 -11.527 1.00 21.52 H new ATOM 0 HB2 LEU A 64 8.350 3.783 -10.584 1.00 45.42 H new ATOM 0 HB3 LEU A 64 9.993 3.683 -9.984 1.00 45.42 H new ATOM 0 HG LEU A 64 8.177 6.099 -9.726 1.00 50.21 H new ATOM 0 HD11 LEU A 64 8.115 5.510 -7.336 1.00 43.14 H new ATOM 0 HD12 LEU A 64 7.426 4.221 -8.352 1.00 43.14 H new ATOM 0 HD13 LEU A 64 9.063 4.043 -7.678 1.00 43.14 H new ATOM 0 HD21 LEU A 64 9.917 6.954 -8.203 1.00 42.15 H new ATOM 0 HD22 LEU A 64 10.934 5.543 -8.579 1.00 42.15 H new ATOM 0 HD23 LEU A 64 10.542 6.722 -9.853 1.00 42.15 H new ATOM 1019 N GLN A 65 9.671 3.217 -13.457 1.00 72.32 N ATOM 1020 CA GLN A 65 10.180 2.132 -14.288 1.00 61.01 C ATOM 1021 C GLN A 65 11.493 2.528 -14.956 1.00 0.50 C ATOM 1022 O GLN A 65 12.530 1.892 -14.768 1.00 61.32 O ATOM 1023 CB GLN A 65 9.148 1.750 -15.351 1.00 33.20 C ATOM 1024 CG GLN A 65 9.766 1.224 -16.637 1.00 70.23 C ATOM 1025 CD GLN A 65 8.756 0.529 -17.528 1.00 30.11 C ATOM 1026 OE1 GLN A 65 8.410 1.027 -18.600 1.00 62.50 O ATOM 1027 NE2 GLN A 65 8.275 -0.628 -17.089 1.00 34.42 N ATOM 0 H GLN A 65 8.709 3.489 -13.659 1.00 72.32 H new ATOM 0 HA GLN A 65 10.366 1.271 -13.645 1.00 61.01 H new ATOM 0 HB2 GLN A 65 8.481 0.992 -14.942 1.00 33.20 H new ATOM 0 HB3 GLN A 65 8.536 2.622 -15.582 1.00 33.20 H new ATOM 0 HG2 GLN A 65 10.218 2.052 -17.183 1.00 70.23 H new ATOM 0 HG3 GLN A 65 10.568 0.528 -16.392 1.00 70.23 H new ATOM 0 HE21 GLN A 65 8.589 -1.004 -16.195 1.00 34.42 H new ATOM 0 HE22 GLN A 65 7.591 -1.140 -17.646 1.00 34.42 H new ATOM 1036 N PRO A 66 11.449 3.604 -15.755 1.00 30.00 N ATOM 1037 CA PRO A 66 12.627 4.110 -16.467 1.00 65.41 C ATOM 1038 C PRO A 66 13.652 4.730 -15.525 1.00 70.33 C ATOM 1039 O PRO A 66 14.737 5.129 -15.948 1.00 14.40 O ATOM 1040 CB PRO A 66 12.047 5.175 -17.401 1.00 22.33 C ATOM 1041 CG PRO A 66 10.792 5.621 -16.735 1.00 22.11 C ATOM 1042 CD PRO A 66 10.247 4.411 -16.026 1.00 55.54 C ATOM 0 HA PRO A 66 13.162 3.314 -16.985 1.00 65.41 H new ATOM 0 HB2 PRO A 66 12.741 6.005 -17.534 1.00 22.33 H new ATOM 0 HB3 PRO A 66 11.846 4.766 -18.391 1.00 22.33 H new ATOM 0 HG2 PRO A 66 10.990 6.430 -16.031 1.00 22.11 H new ATOM 0 HG3 PRO A 66 10.077 6.001 -17.464 1.00 22.11 H new ATOM 0 HD2 PRO A 66 9.730 4.683 -15.106 1.00 55.54 H new ATOM 0 HD3 PRO A 66 9.531 3.871 -16.646 1.00 55.54 H new ATOM 1050 N SER A 67 13.303 4.807 -14.244 1.00 24.52 N ATOM 1051 CA SER A 67 14.191 5.382 -13.242 1.00 72.52 C ATOM 1052 C SER A 67 14.796 4.291 -12.362 1.00 30.12 C ATOM 1053 O SER A 67 15.751 4.531 -11.623 1.00 63.03 O ATOM 1054 CB SER A 67 13.434 6.389 -12.376 1.00 12.20 C ATOM 1055 OG SER A 67 13.119 7.559 -13.112 1.00 52.33 O ATOM 0 H SER A 67 12.410 4.478 -13.876 1.00 24.52 H new ATOM 0 HA SER A 67 14.999 5.896 -13.762 1.00 72.52 H new ATOM 0 HB2 SER A 67 12.517 5.934 -12.000 1.00 12.20 H new ATOM 0 HB3 SER A 67 14.038 6.653 -11.508 1.00 12.20 H new ATOM 0 HG SER A 67 12.634 8.187 -12.537 1.00 52.33 H new ATOM 1061 N LEU A 68 14.232 3.091 -12.448 1.00 23.00 N ATOM 1062 CA LEU A 68 14.713 1.961 -11.661 1.00 52.34 C ATOM 1063 C LEU A 68 16.205 1.735 -11.888 1.00 22.22 C ATOM 1064 O LEU A 68 16.881 1.119 -11.065 1.00 51.33 O ATOM 1065 CB LEU A 68 13.933 0.695 -12.018 1.00 55.51 C ATOM 1066 CG LEU A 68 12.609 0.493 -11.282 1.00 61.44 C ATOM 1067 CD1 LEU A 68 11.694 -0.430 -12.072 1.00 22.31 C ATOM 1068 CD2 LEU A 68 12.854 -0.064 -9.886 1.00 63.01 C ATOM 0 H LEU A 68 13.441 2.876 -13.055 1.00 23.00 H new ATOM 0 HA LEU A 68 14.555 2.191 -10.607 1.00 52.34 H new ATOM 0 HB2 LEU A 68 13.732 0.706 -13.089 1.00 55.51 H new ATOM 0 HB3 LEU A 68 14.570 -0.168 -11.822 1.00 55.51 H new ATOM 0 HG LEU A 68 12.118 1.462 -11.185 1.00 61.44 H new ATOM 0 HD11 LEU A 68 10.756 -0.562 -11.532 1.00 22.31 H new ATOM 0 HD12 LEU A 68 11.492 0.008 -13.049 1.00 22.31 H new ATOM 0 HD13 LEU A 68 12.178 -1.398 -12.201 1.00 22.31 H new ATOM 0 HD21 LEU A 68 11.900 -0.201 -9.377 1.00 63.01 H new ATOM 0 HD22 LEU A 68 13.366 -1.023 -9.962 1.00 63.01 H new ATOM 0 HD23 LEU A 68 13.471 0.633 -9.319 1.00 63.01 H new ATOM 1080 N GLN A 69 16.709 2.239 -13.010 1.00 71.44 N ATOM 1081 CA GLN A 69 18.121 2.093 -13.345 1.00 63.33 C ATOM 1082 C GLN A 69 18.896 3.360 -13.002 1.00 73.30 C ATOM 1083 O GLN A 69 19.996 3.299 -12.451 1.00 53.24 O ATOM 1084 CB GLN A 69 18.283 1.767 -14.830 1.00 0.01 C ATOM 1085 CG GLN A 69 19.723 1.508 -15.243 1.00 54.30 C ATOM 1086 CD GLN A 69 20.328 0.313 -14.531 1.00 1.41 C ATOM 1087 OE1 GLN A 69 21.128 0.466 -13.608 1.00 52.21 O ATOM 1088 NE2 GLN A 69 19.947 -0.885 -14.958 1.00 14.31 N ATOM 0 H GLN A 69 16.162 2.751 -13.702 1.00 71.44 H new ATOM 0 HA GLN A 69 18.526 1.271 -12.754 1.00 63.33 H new ATOM 0 HB2 GLN A 69 17.682 0.889 -15.068 1.00 0.01 H new ATOM 0 HB3 GLN A 69 17.888 2.594 -15.420 1.00 0.01 H new ATOM 0 HG2 GLN A 69 19.764 1.344 -16.320 1.00 54.30 H new ATOM 0 HG3 GLN A 69 20.322 2.394 -15.032 1.00 54.30 H new ATOM 0 HE21 GLN A 69 19.281 -0.964 -15.727 1.00 14.31 H new ATOM 0 HE22 GLN A 69 20.320 -1.726 -14.517 1.00 14.31 H new ATOM 1097 N THR A 70 18.316 4.510 -13.331 1.00 51.03 N ATOM 1098 CA THR A 70 18.953 5.793 -13.060 1.00 70.15 C ATOM 1099 C THR A 70 18.920 6.118 -11.570 1.00 33.14 C ATOM 1100 O THR A 70 19.569 7.060 -11.116 1.00 13.01 O ATOM 1101 CB THR A 70 18.272 6.934 -13.837 1.00 13.25 C ATOM 1102 OG1 THR A 70 16.957 7.164 -13.321 1.00 61.43 O ATOM 1103 CG2 THR A 70 18.189 6.603 -15.320 1.00 3.33 C ATOM 0 H THR A 70 17.406 4.579 -13.786 1.00 51.03 H new ATOM 0 HA THR A 70 19.989 5.708 -13.389 1.00 70.15 H new ATOM 0 HB THR A 70 18.872 7.836 -13.714 1.00 13.25 H new ATOM 0 HG1 THR A 70 16.532 7.892 -13.820 1.00 61.43 H new ATOM 0 HG21 THR A 70 17.704 7.423 -15.849 1.00 3.33 H new ATOM 0 HG22 THR A 70 19.194 6.458 -15.717 1.00 3.33 H new ATOM 0 HG23 THR A 70 17.610 5.690 -15.457 1.00 3.33 H new ATOM 1111 N GLY A 71 18.159 5.333 -10.814 1.00 33.10 N ATOM 1112 CA GLY A 71 18.057 5.553 -9.383 1.00 53.41 C ATOM 1113 C GLY A 71 18.828 4.524 -8.581 1.00 23.01 C ATOM 1114 O GLY A 71 19.305 3.530 -9.129 1.00 55.01 O ATOM 0 H GLY A 71 17.611 4.548 -11.167 1.00 33.10 H new ATOM 0 HA2 GLY A 71 18.430 6.549 -9.144 1.00 53.41 H new ATOM 0 HA3 GLY A 71 17.008 5.527 -9.089 1.00 53.41 H new ATOM 1118 N SER A 72 18.950 4.761 -7.278 1.00 12.41 N ATOM 1119 CA SER A 72 19.672 3.849 -6.400 1.00 42.54 C ATOM 1120 C SER A 72 18.739 2.779 -5.843 1.00 23.30 C ATOM 1121 O SER A 72 17.635 2.579 -6.348 1.00 44.22 O ATOM 1122 CB SER A 72 20.324 4.622 -5.252 1.00 45.15 C ATOM 1123 OG SER A 72 19.357 5.031 -4.299 1.00 22.52 O ATOM 0 H SER A 72 18.558 5.577 -6.808 1.00 12.41 H new ATOM 0 HA SER A 72 20.450 3.359 -6.986 1.00 42.54 H new ATOM 0 HB2 SER A 72 21.074 3.997 -4.768 1.00 45.15 H new ATOM 0 HB3 SER A 72 20.843 5.496 -5.646 1.00 45.15 H new ATOM 0 HG SER A 72 19.561 4.625 -3.431 1.00 22.52 H new ATOM 1129 N GLU A 73 19.193 2.092 -4.798 1.00 45.52 N ATOM 1130 CA GLU A 73 18.399 1.041 -4.172 1.00 1.24 C ATOM 1131 C GLU A 73 17.110 1.609 -3.584 1.00 14.51 C ATOM 1132 O GLU A 73 16.152 0.878 -3.341 1.00 70.23 O ATOM 1133 CB GLU A 73 19.208 0.344 -3.078 1.00 61.23 C ATOM 1134 CG GLU A 73 18.520 -0.881 -2.499 1.00 21.44 C ATOM 1135 CD GLU A 73 19.250 -2.170 -2.828 1.00 73.05 C ATOM 1136 OE1 GLU A 73 19.724 -2.306 -3.975 1.00 70.00 O ATOM 1137 OE2 GLU A 73 19.347 -3.041 -1.938 1.00 10.20 O ATOM 0 H GLU A 73 20.105 2.245 -4.368 1.00 45.52 H new ATOM 0 HA GLU A 73 18.137 0.313 -4.940 1.00 1.24 H new ATOM 0 HB2 GLU A 73 20.175 0.049 -3.485 1.00 61.23 H new ATOM 0 HB3 GLU A 73 19.404 1.054 -2.275 1.00 61.23 H new ATOM 0 HG2 GLU A 73 18.448 -0.775 -1.417 1.00 21.44 H new ATOM 0 HG3 GLU A 73 17.501 -0.936 -2.883 1.00 21.44 H new ATOM 1144 N GLU A 74 17.098 2.920 -3.358 1.00 64.21 N ATOM 1145 CA GLU A 74 15.928 3.585 -2.796 1.00 13.33 C ATOM 1146 C GLU A 74 14.781 3.611 -3.802 1.00 24.41 C ATOM 1147 O GLU A 74 13.617 3.435 -3.439 1.00 51.31 O ATOM 1148 CB GLU A 74 16.281 5.013 -2.373 1.00 41.14 C ATOM 1149 CG GLU A 74 16.913 5.101 -0.994 1.00 22.32 C ATOM 1150 CD GLU A 74 17.974 4.041 -0.771 1.00 61.23 C ATOM 1151 OE1 GLU A 74 19.101 4.211 -1.282 1.00 5.12 O ATOM 1152 OE2 GLU A 74 17.678 3.040 -0.083 1.00 2.34 O ATOM 0 H GLU A 74 17.883 3.541 -3.555 1.00 64.21 H new ATOM 0 HA GLU A 74 15.607 3.022 -1.920 1.00 13.33 H new ATOM 0 HB2 GLU A 74 16.966 5.441 -3.105 1.00 41.14 H new ATOM 0 HB3 GLU A 74 15.377 5.621 -2.388 1.00 41.14 H new ATOM 0 HG2 GLU A 74 17.357 6.088 -0.864 1.00 22.32 H new ATOM 0 HG3 GLU A 74 16.137 4.999 -0.235 1.00 22.32 H new ATOM 1159 N LEU A 75 15.117 3.830 -5.069 1.00 73.13 N ATOM 1160 CA LEU A 75 14.117 3.878 -6.129 1.00 64.41 C ATOM 1161 C LEU A 75 13.614 2.479 -6.468 1.00 63.34 C ATOM 1162 O LEU A 75 12.517 2.315 -7.002 1.00 25.10 O ATOM 1163 CB LEU A 75 14.701 4.539 -7.379 1.00 71.54 C ATOM 1164 CG LEU A 75 13.705 5.274 -8.277 1.00 31.52 C ATOM 1165 CD1 LEU A 75 14.259 6.627 -8.693 1.00 50.51 C ATOM 1166 CD2 LEU A 75 13.371 4.433 -9.502 1.00 54.12 C ATOM 0 H LEU A 75 16.075 3.977 -5.387 1.00 73.13 H new ATOM 0 HA LEU A 75 13.274 4.470 -5.772 1.00 64.41 H new ATOM 0 HB2 LEU A 75 15.469 5.247 -7.066 1.00 71.54 H new ATOM 0 HB3 LEU A 75 15.198 3.772 -7.973 1.00 71.54 H new ATOM 0 HG LEU A 75 12.788 5.438 -7.712 1.00 31.52 H new ATOM 0 HD11 LEU A 75 13.536 7.135 -9.332 1.00 50.51 H new ATOM 0 HD12 LEU A 75 14.447 7.231 -7.806 1.00 50.51 H new ATOM 0 HD13 LEU A 75 15.191 6.486 -9.241 1.00 50.51 H new ATOM 0 HD21 LEU A 75 12.661 4.971 -10.130 1.00 54.12 H new ATOM 0 HD22 LEU A 75 14.281 4.238 -10.069 1.00 54.12 H new ATOM 0 HD23 LEU A 75 12.931 3.487 -9.185 1.00 54.12 H new ATOM 1178 N ARG A 76 14.422 1.472 -6.151 1.00 42.50 N ATOM 1179 CA ARG A 76 14.058 0.086 -6.422 1.00 55.43 C ATOM 1180 C ARG A 76 13.109 -0.444 -5.352 1.00 25.42 C ATOM 1181 O ARG A 76 12.216 -1.241 -5.642 1.00 25.01 O ATOM 1182 CB ARG A 76 15.312 -0.789 -6.485 1.00 40.32 C ATOM 1183 CG ARG A 76 15.667 -1.242 -7.891 1.00 73.22 C ATOM 1184 CD ARG A 76 16.888 -2.151 -7.892 1.00 42.54 C ATOM 1185 NE ARG A 76 18.047 -1.508 -8.503 1.00 15.31 N ATOM 1186 CZ ARG A 76 18.245 -1.442 -9.815 1.00 44.51 C ATOM 1187 NH1 ARG A 76 17.362 -1.974 -10.649 1.00 31.40 N ATOM 1188 NH2 ARG A 76 19.325 -0.840 -10.296 1.00 51.31 N ATOM 0 H ARG A 76 15.332 1.590 -5.707 1.00 42.50 H new ATOM 0 HA ARG A 76 13.549 0.051 -7.385 1.00 55.43 H new ATOM 0 HB2 ARG A 76 16.153 -0.235 -6.067 1.00 40.32 H new ATOM 0 HB3 ARG A 76 15.165 -1.667 -5.856 1.00 40.32 H new ATOM 0 HG2 ARG A 76 14.820 -1.769 -8.330 1.00 73.22 H new ATOM 0 HG3 ARG A 76 15.860 -0.371 -8.517 1.00 73.22 H new ATOM 0 HD2 ARG A 76 17.129 -2.436 -6.868 1.00 42.54 H new ATOM 0 HD3 ARG A 76 16.656 -3.069 -8.432 1.00 42.54 H new ATOM 0 HE ARG A 76 18.743 -1.086 -7.889 1.00 15.31 H new ATOM 0 HH11 ARG A 76 16.529 -2.435 -10.284 1.00 31.40 H new ATOM 0 HH12 ARG A 76 17.516 -1.922 -11.656 1.00 31.40 H new ATOM 0 HH21 ARG A 76 20.005 -0.427 -9.658 1.00 51.31 H new ATOM 0 HH22 ARG A 76 19.475 -0.790 -11.304 1.00 51.31 H new ATOM 1202 N SER A 77 13.306 0.002 -4.116 1.00 14.14 N ATOM 1203 CA SER A 77 12.470 -0.431 -3.003 1.00 34.34 C ATOM 1204 C SER A 77 11.036 0.059 -3.179 1.00 0.02 C ATOM 1205 O SER A 77 10.087 -0.595 -2.746 1.00 62.21 O ATOM 1206 CB SER A 77 13.039 0.085 -1.680 1.00 20.11 C ATOM 1207 OG SER A 77 14.055 -0.775 -1.192 1.00 53.11 O ATOM 0 H SER A 77 14.038 0.664 -3.860 1.00 14.14 H new ATOM 0 HA SER A 77 12.464 -1.521 -2.987 1.00 34.34 H new ATOM 0 HB2 SER A 77 13.443 1.087 -1.821 1.00 20.11 H new ATOM 0 HB3 SER A 77 12.240 0.164 -0.943 1.00 20.11 H new ATOM 0 HG SER A 77 14.404 -0.423 -0.347 1.00 53.11 H new ATOM 1213 N LEU A 78 10.887 1.214 -3.817 1.00 44.22 N ATOM 1214 CA LEU A 78 9.568 1.794 -4.051 1.00 62.12 C ATOM 1215 C LEU A 78 8.823 1.029 -5.140 1.00 64.11 C ATOM 1216 O LEU A 78 7.728 0.514 -4.912 1.00 0.44 O ATOM 1217 CB LEU A 78 9.699 3.267 -4.444 1.00 34.45 C ATOM 1218 CG LEU A 78 9.246 4.284 -3.396 1.00 15.03 C ATOM 1219 CD1 LEU A 78 7.847 3.954 -2.902 1.00 30.21 C ATOM 1220 CD2 LEU A 78 10.229 4.327 -2.236 1.00 75.55 C ATOM 0 H LEU A 78 11.662 1.768 -4.182 1.00 44.22 H new ATOM 0 HA LEU A 78 8.996 1.721 -3.126 1.00 62.12 H new ATOM 0 HB2 LEU A 78 10.743 3.466 -4.687 1.00 34.45 H new ATOM 0 HB3 LEU A 78 9.123 3.432 -5.354 1.00 34.45 H new ATOM 0 HG LEU A 78 9.221 5.270 -3.860 1.00 15.03 H new ATOM 0 HD11 LEU A 78 7.542 4.689 -2.157 1.00 30.21 H new ATOM 0 HD12 LEU A 78 7.151 3.976 -3.740 1.00 30.21 H new ATOM 0 HD13 LEU A 78 7.844 2.960 -2.454 1.00 30.21 H new ATOM 0 HD21 LEU A 78 9.891 5.056 -1.500 1.00 75.55 H new ATOM 0 HD22 LEU A 78 10.287 3.343 -1.772 1.00 75.55 H new ATOM 0 HD23 LEU A 78 11.214 4.613 -2.604 1.00 75.55 H new ATOM 1232 N TYR A 79 9.424 0.957 -6.322 1.00 52.21 N ATOM 1233 CA TYR A 79 8.817 0.256 -7.446 1.00 32.15 C ATOM 1234 C TYR A 79 8.282 -1.107 -7.014 1.00 2.43 C ATOM 1235 O TYR A 79 7.183 -1.504 -7.399 1.00 70.43 O ATOM 1236 CB TYR A 79 9.835 0.081 -8.576 1.00 44.05 C ATOM 1237 CG TYR A 79 9.228 -0.424 -9.865 1.00 21.12 C ATOM 1238 CD1 TYR A 79 8.477 0.416 -10.678 1.00 24.15 C ATOM 1239 CD2 TYR A 79 9.404 -1.742 -10.269 1.00 1.41 C ATOM 1240 CE1 TYR A 79 7.920 -0.042 -11.858 1.00 62.23 C ATOM 1241 CE2 TYR A 79 8.852 -2.208 -11.447 1.00 51.13 C ATOM 1242 CZ TYR A 79 8.111 -1.354 -12.237 1.00 33.32 C ATOM 1243 OH TYR A 79 7.559 -1.816 -13.410 1.00 3.50 O ATOM 0 H TYR A 79 10.331 1.376 -6.526 1.00 52.21 H new ATOM 0 HA TYR A 79 7.982 0.857 -7.807 1.00 32.15 H new ATOM 0 HB2 TYR A 79 10.324 1.037 -8.764 1.00 44.05 H new ATOM 0 HB3 TYR A 79 10.609 -0.615 -8.252 1.00 44.05 H new ATOM 0 HD1 TYR A 79 8.326 1.444 -10.383 1.00 24.15 H new ATOM 0 HD2 TYR A 79 9.982 -2.414 -9.652 1.00 1.41 H new ATOM 0 HE1 TYR A 79 7.339 0.624 -12.479 1.00 62.23 H new ATOM 0 HE2 TYR A 79 9.000 -3.235 -11.747 1.00 51.13 H new ATOM 0 HH TYR A 79 7.789 -2.761 -13.530 1.00 3.50 H new ATOM 1253 N ASN A 80 9.068 -1.816 -6.212 1.00 14.30 N ATOM 1254 CA ASN A 80 8.676 -3.133 -5.726 1.00 65.51 C ATOM 1255 C ASN A 80 7.318 -3.075 -5.032 1.00 2.25 C ATOM 1256 O ASN A 80 6.340 -3.652 -5.508 1.00 23.11 O ATOM 1257 CB ASN A 80 9.731 -3.680 -4.762 1.00 51.24 C ATOM 1258 CG ASN A 80 11.073 -3.894 -5.434 1.00 52.45 C ATOM 1259 OD1 ASN A 80 11.190 -3.798 -6.656 1.00 60.10 O ATOM 1260 ND2 ASN A 80 12.094 -4.186 -4.636 1.00 23.23 N ATOM 0 H ASN A 80 9.981 -1.500 -5.885 1.00 14.30 H new ATOM 0 HA ASN A 80 8.598 -3.800 -6.584 1.00 65.51 H new ATOM 0 HB2 ASN A 80 9.851 -2.988 -3.929 1.00 51.24 H new ATOM 0 HB3 ASN A 80 9.382 -4.624 -4.344 1.00 51.24 H new ATOM 0 HD21 ASN A 80 13.022 -4.341 -5.031 1.00 23.23 H new ATOM 0 HD22 ASN A 80 11.950 -4.255 -3.629 1.00 23.23 H new ATOM 1267 N THR A 81 7.265 -2.373 -3.904 1.00 74.54 N ATOM 1268 CA THR A 81 6.030 -2.239 -3.144 1.00 22.33 C ATOM 1269 C THR A 81 4.891 -1.747 -4.030 1.00 65.13 C ATOM 1270 O THR A 81 3.840 -2.383 -4.116 1.00 12.20 O ATOM 1271 CB THR A 81 6.201 -1.269 -1.959 1.00 22.14 C ATOM 1272 OG1 THR A 81 7.225 -1.745 -1.081 1.00 54.24 O ATOM 1273 CG2 THR A 81 4.896 -1.119 -1.191 1.00 53.22 C ATOM 0 H THR A 81 8.065 -1.888 -3.497 1.00 74.54 H new ATOM 0 HA THR A 81 5.786 -3.229 -2.759 1.00 22.33 H new ATOM 0 HB THR A 81 6.486 -0.294 -2.354 1.00 22.14 H new ATOM 0 HG1 THR A 81 7.329 -1.122 -0.331 1.00 54.24 H new ATOM 0 HG21 THR A 81 5.041 -0.430 -0.359 1.00 53.22 H new ATOM 0 HG22 THR A 81 4.125 -0.729 -1.856 1.00 53.22 H new ATOM 0 HG23 THR A 81 4.586 -2.091 -0.807 1.00 53.22 H new ATOM 1281 N ILE A 82 5.106 -0.611 -4.685 1.00 12.14 N ATOM 1282 CA ILE A 82 4.097 -0.035 -5.566 1.00 43.12 C ATOM 1283 C ILE A 82 3.499 -1.095 -6.484 1.00 52.11 C ATOM 1284 O ILE A 82 2.295 -1.102 -6.739 1.00 0.03 O ATOM 1285 CB ILE A 82 4.682 1.102 -6.425 1.00 31.52 C ATOM 1286 CG1 ILE A 82 5.230 2.215 -5.530 1.00 12.35 C ATOM 1287 CG2 ILE A 82 3.625 1.647 -7.373 1.00 30.52 C ATOM 1288 CD1 ILE A 82 6.259 3.089 -6.216 1.00 71.42 C ATOM 0 H ILE A 82 5.969 -0.071 -4.622 1.00 12.14 H new ATOM 0 HA ILE A 82 3.314 0.371 -4.926 1.00 43.12 H new ATOM 0 HB ILE A 82 5.503 0.703 -7.020 1.00 31.52 H new ATOM 0 HG12 ILE A 82 4.403 2.839 -5.191 1.00 12.35 H new ATOM 0 HG13 ILE A 82 5.678 1.769 -4.642 1.00 12.35 H new ATOM 0 HG21 ILE A 82 4.054 2.450 -7.973 1.00 30.52 H new ATOM 0 HG22 ILE A 82 3.278 0.849 -8.029 1.00 30.52 H new ATOM 0 HG23 ILE A 82 2.784 2.034 -6.797 1.00 30.52 H new ATOM 0 HD11 ILE A 82 6.604 3.857 -5.523 1.00 71.42 H new ATOM 0 HD12 ILE A 82 7.104 2.477 -6.531 1.00 71.42 H new ATOM 0 HD13 ILE A 82 5.810 3.563 -7.089 1.00 71.42 H new ATOM 1300 N ALA A 83 4.348 -1.991 -6.976 1.00 11.13 N ATOM 1301 CA ALA A 83 3.903 -3.059 -7.863 1.00 2.03 C ATOM 1302 C ALA A 83 2.954 -4.011 -7.143 1.00 11.44 C ATOM 1303 O ALA A 83 1.949 -4.445 -7.706 1.00 63.34 O ATOM 1304 CB ALA A 83 5.099 -3.820 -8.415 1.00 14.33 C ATOM 0 H ALA A 83 5.348 -1.999 -6.775 1.00 11.13 H new ATOM 0 HA ALA A 83 3.361 -2.606 -8.693 1.00 2.03 H new ATOM 0 HB1 ALA A 83 4.751 -4.614 -9.076 1.00 14.33 H new ATOM 0 HB2 ALA A 83 5.738 -3.137 -8.974 1.00 14.33 H new ATOM 0 HB3 ALA A 83 5.665 -4.255 -7.591 1.00 14.33 H new ATOM 1310 N VAL A 84 3.281 -4.333 -5.895 1.00 24.01 N ATOM 1311 CA VAL A 84 2.457 -5.234 -5.098 1.00 1.22 C ATOM 1312 C VAL A 84 1.065 -4.652 -4.874 1.00 34.33 C ATOM 1313 O VAL A 84 0.074 -5.382 -4.841 1.00 44.12 O ATOM 1314 CB VAL A 84 3.105 -5.526 -3.732 1.00 42.40 C ATOM 1315 CG1 VAL A 84 2.350 -6.629 -3.007 1.00 34.15 C ATOM 1316 CG2 VAL A 84 4.570 -5.896 -3.906 1.00 30.44 C ATOM 0 H VAL A 84 4.110 -3.983 -5.415 1.00 24.01 H new ATOM 0 HA VAL A 84 2.373 -6.165 -5.658 1.00 1.22 H new ATOM 0 HB VAL A 84 3.052 -4.623 -3.124 1.00 42.40 H new ATOM 0 HG11 VAL A 84 2.823 -6.821 -2.044 1.00 34.15 H new ATOM 0 HG12 VAL A 84 1.317 -6.319 -2.849 1.00 34.15 H new ATOM 0 HG13 VAL A 84 2.368 -7.538 -3.608 1.00 34.15 H new ATOM 0 HG21 VAL A 84 5.012 -6.099 -2.931 1.00 30.44 H new ATOM 0 HG22 VAL A 84 4.649 -6.785 -4.532 1.00 30.44 H new ATOM 0 HG23 VAL A 84 5.100 -5.070 -4.380 1.00 30.44 H new ATOM 1326 N LEU A 85 0.998 -3.335 -4.721 1.00 54.40 N ATOM 1327 CA LEU A 85 -0.273 -2.654 -4.500 1.00 42.41 C ATOM 1328 C LEU A 85 -1.189 -2.803 -5.711 1.00 32.14 C ATOM 1329 O LEU A 85 -2.327 -3.256 -5.589 1.00 30.43 O ATOM 1330 CB LEU A 85 -0.035 -1.172 -4.206 1.00 4.42 C ATOM 1331 CG LEU A 85 -1.282 -0.286 -4.174 1.00 12.34 C ATOM 1332 CD1 LEU A 85 -2.192 -0.686 -3.023 1.00 12.24 C ATOM 1333 CD2 LEU A 85 -0.891 1.181 -4.063 1.00 54.04 C ATOM 0 H LEU A 85 1.809 -2.717 -4.746 1.00 54.40 H new ATOM 0 HA LEU A 85 -0.760 -3.116 -3.641 1.00 42.41 H new ATOM 0 HB2 LEU A 85 0.470 -1.089 -3.244 1.00 4.42 H new ATOM 0 HB3 LEU A 85 0.647 -0.778 -4.959 1.00 4.42 H new ATOM 0 HG LEU A 85 -1.828 -0.426 -5.107 1.00 12.34 H new ATOM 0 HD11 LEU A 85 -3.073 -0.045 -3.016 1.00 12.24 H new ATOM 0 HD12 LEU A 85 -2.500 -1.724 -3.146 1.00 12.24 H new ATOM 0 HD13 LEU A 85 -1.656 -0.576 -2.080 1.00 12.24 H new ATOM 0 HD21 LEU A 85 -1.790 1.797 -4.042 1.00 54.04 H new ATOM 0 HD22 LEU A 85 -0.322 1.338 -3.147 1.00 54.04 H new ATOM 0 HD23 LEU A 85 -0.280 1.461 -4.921 1.00 54.04 H new ATOM 1345 N TYR A 86 -0.683 -2.421 -6.878 1.00 32.34 N ATOM 1346 CA TYR A 86 -1.455 -2.513 -8.112 1.00 24.24 C ATOM 1347 C TYR A 86 -2.120 -3.880 -8.239 1.00 61.45 C ATOM 1348 O TYR A 86 -3.282 -3.984 -8.634 1.00 42.42 O ATOM 1349 CB TYR A 86 -0.555 -2.258 -9.322 1.00 1.51 C ATOM 1350 CG TYR A 86 -1.266 -2.407 -10.648 1.00 53.32 C ATOM 1351 CD1 TYR A 86 -1.940 -1.335 -11.221 1.00 31.42 C ATOM 1352 CD2 TYR A 86 -1.263 -3.618 -11.328 1.00 11.12 C ATOM 1353 CE1 TYR A 86 -2.591 -1.467 -12.432 1.00 11.23 C ATOM 1354 CE2 TYR A 86 -1.911 -3.759 -12.540 1.00 40.01 C ATOM 1355 CZ TYR A 86 -2.573 -2.680 -13.088 1.00 25.54 C ATOM 1356 OH TYR A 86 -3.221 -2.815 -14.295 1.00 74.12 O ATOM 0 H TYR A 86 0.258 -2.045 -6.996 1.00 32.34 H new ATOM 0 HA TYR A 86 -2.234 -1.752 -8.080 1.00 24.24 H new ATOM 0 HB2 TYR A 86 -0.142 -1.252 -9.252 1.00 1.51 H new ATOM 0 HB3 TYR A 86 0.286 -2.950 -9.291 1.00 1.51 H new ATOM 0 HD1 TYR A 86 -1.955 -0.383 -10.711 1.00 31.42 H new ATOM 0 HD2 TYR A 86 -0.745 -4.464 -10.902 1.00 11.12 H new ATOM 0 HE1 TYR A 86 -3.112 -0.625 -12.863 1.00 11.23 H new ATOM 0 HE2 TYR A 86 -1.899 -4.708 -13.055 1.00 40.01 H new ATOM 0 HH TYR A 86 -3.111 -3.731 -14.625 1.00 74.12 H new ATOM 1366 N CYS A 87 -1.375 -4.927 -7.899 1.00 5.43 N ATOM 1367 CA CYS A 87 -1.891 -6.289 -7.974 1.00 31.31 C ATOM 1368 C CYS A 87 -3.004 -6.506 -6.955 1.00 10.10 C ATOM 1369 O CYS A 87 -3.921 -7.296 -7.179 1.00 34.30 O ATOM 1370 CB CYS A 87 -0.764 -7.296 -7.739 1.00 22.40 C ATOM 1371 SG CYS A 87 0.420 -7.410 -9.100 1.00 72.20 S ATOM 0 H CYS A 87 -0.412 -4.858 -7.569 1.00 5.43 H new ATOM 0 HA CYS A 87 -2.303 -6.441 -8.972 1.00 31.31 H new ATOM 0 HB2 CYS A 87 -0.230 -7.022 -6.829 1.00 22.40 H new ATOM 0 HB3 CYS A 87 -1.200 -8.280 -7.568 1.00 22.40 H new ATOM 0 HG CYS A 87 1.274 -6.434 -9.015 1.00 72.20 H new ATOM 1377 N VAL A 88 -2.917 -5.799 -5.833 1.00 43.13 N ATOM 1378 CA VAL A 88 -3.917 -5.914 -4.777 1.00 10.14 C ATOM 1379 C VAL A 88 -5.231 -5.260 -5.191 1.00 33.13 C ATOM 1380 O VAL A 88 -6.312 -5.762 -4.881 1.00 21.00 O ATOM 1381 CB VAL A 88 -3.427 -5.271 -3.467 1.00 50.30 C ATOM 1382 CG1 VAL A 88 -4.584 -5.086 -2.497 1.00 2.50 C ATOM 1383 CG2 VAL A 88 -2.324 -6.111 -2.841 1.00 65.41 C ATOM 0 H VAL A 88 -2.165 -5.140 -5.631 1.00 43.13 H new ATOM 0 HA VAL A 88 -4.081 -6.979 -4.611 1.00 10.14 H new ATOM 0 HB VAL A 88 -3.017 -4.288 -3.697 1.00 50.30 H new ATOM 0 HG11 VAL A 88 -4.218 -4.630 -1.577 1.00 2.50 H new ATOM 0 HG12 VAL A 88 -5.337 -4.439 -2.948 1.00 2.50 H new ATOM 0 HG13 VAL A 88 -5.027 -6.056 -2.270 1.00 2.50 H new ATOM 0 HG21 VAL A 88 -1.990 -5.641 -1.916 1.00 65.41 H new ATOM 0 HG22 VAL A 88 -2.705 -7.109 -2.624 1.00 65.41 H new ATOM 0 HG23 VAL A 88 -1.486 -6.185 -3.534 1.00 65.41 H new ATOM 1393 N HIS A 89 -5.131 -4.136 -5.894 1.00 31.13 N ATOM 1394 CA HIS A 89 -6.311 -3.412 -6.353 1.00 63.05 C ATOM 1395 C HIS A 89 -6.952 -4.119 -7.544 1.00 51.22 C ATOM 1396 O HIS A 89 -8.156 -3.941 -7.725 1.00 0.25 O ATOM 1397 CB HIS A 89 -5.941 -1.979 -6.735 1.00 41.33 C ATOM 1398 CG HIS A 89 -5.701 -1.088 -5.555 1.00 13.12 C ATOM 1399 ND1 HIS A 89 -6.482 -1.117 -4.419 1.00 54.40 N ATOM 1400 CD2 HIS A 89 -4.759 -0.140 -5.338 1.00 12.13 C ATOM 1401 CE1 HIS A 89 -6.031 -0.224 -3.556 1.00 44.41 C ATOM 1402 NE2 HIS A 89 -4.985 0.382 -4.090 1.00 43.31 N ATOM 0 H HIS A 89 -4.244 -3.707 -6.158 1.00 31.13 H new ATOM 0 HA HIS A 89 -7.032 -3.387 -5.536 1.00 63.05 H new ATOM 0 HB2 HIS A 89 -5.045 -1.997 -7.355 1.00 41.33 H new ATOM 0 HB3 HIS A 89 -6.741 -1.556 -7.343 1.00 41.33 H new ATOM 0 HD2 HIS A 89 -3.975 0.151 -6.021 1.00 12.13 H new ATOM 0 HE1 HIS A 89 -6.447 -0.023 -2.580 1.00 44.41 H new ATOM 0 HE2 HIS A 89 -4.435 1.118 -3.646 1.00 43.31 H new ATOM 1411 N GLN A 90 -6.207 -4.888 -8.332 1.00 74.12 N ATOM 1412 CA GLN A 90 -6.775 -5.581 -9.481 1.00 22.10 C ATOM 1413 C GLN A 90 -7.309 -6.953 -9.081 1.00 54.25 C ATOM 1414 O GLN A 90 -7.566 -7.803 -9.932 1.00 1.02 O ATOM 1415 CB GLN A 90 -5.725 -5.731 -10.583 1.00 22.44 C ATOM 1416 CG GLN A 90 -5.592 -4.504 -11.470 1.00 64.23 C ATOM 1417 CD GLN A 90 -5.751 -4.827 -12.942 1.00 34.23 C ATOM 1418 OE1 GLN A 90 -5.095 -5.728 -13.466 1.00 53.04 O ATOM 1419 NE2 GLN A 90 -6.625 -4.092 -13.619 1.00 32.50 N ATOM 0 H GLN A 90 -5.209 -5.046 -8.195 1.00 74.12 H new ATOM 0 HA GLN A 90 -7.605 -4.984 -9.859 1.00 22.10 H new ATOM 0 HB2 GLN A 90 -4.759 -5.944 -10.126 1.00 22.44 H new ATOM 0 HB3 GLN A 90 -5.981 -6.590 -11.203 1.00 22.44 H new ATOM 0 HG2 GLN A 90 -6.342 -3.768 -11.180 1.00 64.23 H new ATOM 0 HG3 GLN A 90 -4.617 -4.046 -11.306 1.00 64.23 H new ATOM 0 HE21 GLN A 90 -7.147 -3.355 -13.145 1.00 32.50 H new ATOM 0 HE22 GLN A 90 -6.774 -4.264 -14.613 1.00 32.50 H new ATOM 1428 N ARG A 91 -7.472 -7.161 -7.778 1.00 52.03 N ATOM 1429 CA ARG A 91 -7.973 -8.430 -7.264 1.00 63.44 C ATOM 1430 C ARG A 91 -7.091 -9.588 -7.720 1.00 52.13 C ATOM 1431 O ARG A 91 -7.535 -10.735 -7.778 1.00 40.53 O ATOM 1432 CB ARG A 91 -9.413 -8.658 -7.727 1.00 60.50 C ATOM 1433 CG ARG A 91 -10.344 -9.116 -6.616 1.00 0.20 C ATOM 1434 CD ARG A 91 -10.504 -10.628 -6.609 1.00 52.11 C ATOM 1435 NE ARG A 91 -10.261 -11.197 -5.286 1.00 63.20 N ATOM 1436 CZ ARG A 91 -10.078 -12.495 -5.067 1.00 22.12 C ATOM 1437 NH1 ARG A 91 -10.110 -13.353 -6.078 1.00 52.23 N ATOM 1438 NH2 ARG A 91 -9.863 -12.937 -3.835 1.00 43.54 N ATOM 0 H ARG A 91 -7.264 -6.467 -7.060 1.00 52.03 H new ATOM 0 HA ARG A 91 -7.951 -8.387 -6.175 1.00 63.44 H new ATOM 0 HB2 ARG A 91 -9.799 -7.733 -8.155 1.00 60.50 H new ATOM 0 HB3 ARG A 91 -9.416 -9.403 -8.523 1.00 60.50 H new ATOM 0 HG2 ARG A 91 -9.953 -8.786 -5.653 1.00 0.20 H new ATOM 0 HG3 ARG A 91 -11.320 -8.647 -6.741 1.00 0.20 H new ATOM 0 HD2 ARG A 91 -11.511 -10.888 -6.936 1.00 52.11 H new ATOM 0 HD3 ARG A 91 -9.812 -11.069 -7.326 1.00 52.11 H new ATOM 0 HE ARG A 91 -10.230 -10.564 -4.487 1.00 63.20 H new ATOM 0 HH11 ARG A 91 -10.275 -13.017 -7.027 1.00 52.23 H new ATOM 0 HH12 ARG A 91 -9.969 -14.349 -5.907 1.00 52.23 H new ATOM 0 HH21 ARG A 91 -9.838 -12.281 -3.055 1.00 43.54 H new ATOM 0 HH22 ARG A 91 -9.723 -13.933 -3.668 1.00 43.54 H new ATOM 1452 N ILE A 92 -5.839 -9.279 -8.045 1.00 64.35 N ATOM 1453 CA ILE A 92 -4.895 -10.295 -8.494 1.00 12.45 C ATOM 1454 C ILE A 92 -4.152 -10.916 -7.317 1.00 44.21 C ATOM 1455 O ILE A 92 -3.528 -10.212 -6.523 1.00 74.13 O ATOM 1456 CB ILE A 92 -3.869 -9.710 -9.483 1.00 51.31 C ATOM 1457 CG1 ILE A 92 -4.584 -9.083 -10.683 1.00 60.45 C ATOM 1458 CG2 ILE A 92 -2.901 -10.789 -9.942 1.00 34.43 C ATOM 1459 CD1 ILE A 92 -3.642 -8.465 -11.692 1.00 62.40 C ATOM 0 H ILE A 92 -5.456 -8.334 -8.006 1.00 64.35 H new ATOM 0 HA ILE A 92 -5.478 -11.066 -8.999 1.00 12.45 H new ATOM 0 HB ILE A 92 -3.300 -8.931 -8.975 1.00 51.31 H new ATOM 0 HG12 ILE A 92 -5.184 -9.847 -11.178 1.00 60.45 H new ATOM 0 HG13 ILE A 92 -5.274 -8.318 -10.326 1.00 60.45 H new ATOM 0 HG21 ILE A 92 -2.182 -10.360 -10.640 1.00 34.43 H new ATOM 0 HG22 ILE A 92 -2.372 -11.194 -9.079 1.00 34.43 H new ATOM 0 HG23 ILE A 92 -3.454 -11.588 -10.436 1.00 34.43 H new ATOM 0 HD11 ILE A 92 -4.217 -8.040 -12.515 1.00 62.40 H new ATOM 0 HD12 ILE A 92 -3.060 -7.678 -11.212 1.00 62.40 H new ATOM 0 HD13 ILE A 92 -2.969 -9.231 -12.078 1.00 62.40 H new ATOM 1471 N ASP A 93 -4.222 -12.238 -7.211 1.00 24.52 N ATOM 1472 CA ASP A 93 -3.554 -12.955 -6.132 1.00 63.44 C ATOM 1473 C ASP A 93 -2.099 -13.245 -6.490 1.00 44.51 C ATOM 1474 O ASP A 93 -1.810 -14.150 -7.272 1.00 4.53 O ATOM 1475 CB ASP A 93 -4.287 -14.263 -5.829 1.00 54.33 C ATOM 1476 CG ASP A 93 -5.662 -14.032 -5.234 1.00 51.31 C ATOM 1477 OD1 ASP A 93 -6.395 -13.164 -5.754 1.00 24.23 O ATOM 1478 OD2 ASP A 93 -6.006 -14.719 -4.250 1.00 41.12 O ATOM 0 H ASP A 93 -4.735 -12.835 -7.860 1.00 24.52 H new ATOM 0 HA ASP A 93 -3.572 -12.323 -5.244 1.00 63.44 H new ATOM 0 HB2 ASP A 93 -4.384 -14.843 -6.747 1.00 54.33 H new ATOM 0 HB3 ASP A 93 -3.691 -14.859 -5.138 1.00 54.33 H new ATOM 1483 N VAL A 94 -1.188 -12.468 -5.914 1.00 52.44 N ATOM 1484 CA VAL A 94 0.237 -12.640 -6.171 1.00 31.04 C ATOM 1485 C VAL A 94 0.860 -13.621 -5.184 1.00 4.02 C ATOM 1486 O VAL A 94 0.254 -13.967 -4.169 1.00 13.43 O ATOM 1487 CB VAL A 94 0.988 -11.298 -6.089 1.00 74.23 C ATOM 1488 CG1 VAL A 94 0.350 -10.270 -7.010 1.00 50.34 C ATOM 1489 CG2 VAL A 94 1.020 -10.793 -4.654 1.00 73.21 C ATOM 0 H VAL A 94 -1.411 -11.713 -5.266 1.00 52.44 H new ATOM 0 HA VAL A 94 0.330 -13.039 -7.181 1.00 31.04 H new ATOM 0 HB VAL A 94 2.015 -11.456 -6.418 1.00 74.23 H new ATOM 0 HG11 VAL A 94 0.895 -9.329 -6.938 1.00 50.34 H new ATOM 0 HG12 VAL A 94 0.385 -10.631 -8.038 1.00 50.34 H new ATOM 0 HG13 VAL A 94 -0.688 -10.112 -6.716 1.00 50.34 H new ATOM 0 HG21 VAL A 94 1.554 -9.844 -4.614 1.00 73.21 H new ATOM 0 HG22 VAL A 94 0.001 -10.651 -4.296 1.00 73.21 H new ATOM 0 HG23 VAL A 94 1.528 -11.522 -4.023 1.00 73.21 H new ATOM 1499 N LYS A 95 2.074 -14.065 -5.488 1.00 33.54 N ATOM 1500 CA LYS A 95 2.783 -15.006 -4.628 1.00 5.12 C ATOM 1501 C LYS A 95 3.958 -14.328 -3.932 1.00 1.42 C ATOM 1502 O LYS A 95 4.388 -14.755 -2.861 1.00 31.21 O ATOM 1503 CB LYS A 95 3.279 -16.201 -5.444 1.00 60.41 C ATOM 1504 CG LYS A 95 3.508 -17.452 -4.614 1.00 53.25 C ATOM 1505 CD LYS A 95 2.929 -18.684 -5.290 1.00 73.55 C ATOM 1506 CE LYS A 95 1.470 -18.891 -4.915 1.00 32.52 C ATOM 1507 NZ LYS A 95 0.570 -17.971 -5.662 1.00 1.31 N ATOM 0 H LYS A 95 2.589 -13.788 -6.324 1.00 33.54 H new ATOM 0 HA LYS A 95 2.087 -15.359 -3.866 1.00 5.12 H new ATOM 0 HB2 LYS A 95 2.553 -16.422 -6.226 1.00 60.41 H new ATOM 0 HB3 LYS A 95 4.210 -15.929 -5.941 1.00 60.41 H new ATOM 0 HG2 LYS A 95 4.577 -17.593 -4.454 1.00 53.25 H new ATOM 0 HG3 LYS A 95 3.052 -17.327 -3.632 1.00 53.25 H new ATOM 0 HD2 LYS A 95 3.017 -18.582 -6.372 1.00 73.55 H new ATOM 0 HD3 LYS A 95 3.507 -19.563 -5.005 1.00 73.55 H new ATOM 0 HE2 LYS A 95 1.185 -19.923 -5.120 1.00 32.52 H new ATOM 0 HE3 LYS A 95 1.344 -18.732 -3.844 1.00 32.52 H new ATOM 0 HZ1 LYS A 95 -0.417 -18.273 -5.537 1.00 1.31 H new ATOM 0 HZ2 LYS A 95 0.684 -17.003 -5.299 1.00 1.31 H new ATOM 0 HZ3 LYS A 95 0.813 -17.993 -6.673 1.00 1.31 H new ATOM 1521 N ASP A 96 4.473 -13.269 -4.548 1.00 74.30 N ATOM 1522 CA ASP A 96 5.598 -12.530 -3.986 1.00 31.54 C ATOM 1523 C ASP A 96 5.901 -11.287 -4.818 1.00 73.41 C ATOM 1524 O ASP A 96 5.357 -11.107 -5.908 1.00 65.21 O ATOM 1525 CB ASP A 96 6.837 -13.424 -3.911 1.00 5.42 C ATOM 1526 CG ASP A 96 6.949 -14.358 -5.101 1.00 73.21 C ATOM 1527 OD1 ASP A 96 7.166 -13.862 -6.226 1.00 24.14 O ATOM 1528 OD2 ASP A 96 6.823 -15.585 -4.905 1.00 43.11 O ATOM 0 H ASP A 96 4.130 -12.903 -5.436 1.00 74.30 H new ATOM 0 HA ASP A 96 5.327 -12.214 -2.979 1.00 31.54 H new ATOM 0 HB2 ASP A 96 7.729 -12.800 -3.857 1.00 5.42 H new ATOM 0 HB3 ASP A 96 6.803 -14.011 -2.993 1.00 5.42 H new ATOM 1533 N THR A 97 6.775 -10.432 -4.297 1.00 72.01 N ATOM 1534 CA THR A 97 7.150 -9.206 -4.990 1.00 3.21 C ATOM 1535 C THR A 97 7.322 -9.449 -6.484 1.00 11.13 C ATOM 1536 O THR A 97 6.664 -8.813 -7.308 1.00 23.33 O ATOM 1537 CB THR A 97 8.455 -8.616 -4.423 1.00 24.21 C ATOM 1538 OG1 THR A 97 8.215 -8.048 -3.131 1.00 63.00 O ATOM 1539 CG2 THR A 97 9.018 -7.553 -5.354 1.00 61.21 C ATOM 0 H THR A 97 7.236 -10.566 -3.397 1.00 72.01 H new ATOM 0 HA THR A 97 6.340 -8.494 -4.832 1.00 3.21 H new ATOM 0 HB THR A 97 9.184 -9.422 -4.335 1.00 24.21 H new ATOM 0 HG1 THR A 97 8.538 -8.662 -2.439 1.00 63.00 H new ATOM 0 HG21 THR A 97 9.939 -7.151 -4.932 1.00 61.21 H new ATOM 0 HG22 THR A 97 9.227 -7.996 -6.328 1.00 61.21 H new ATOM 0 HG23 THR A 97 8.291 -6.749 -5.470 1.00 61.21 H new ATOM 1547 N LYS A 98 8.212 -10.373 -6.829 1.00 22.24 N ATOM 1548 CA LYS A 98 8.471 -10.704 -8.226 1.00 62.13 C ATOM 1549 C LYS A 98 7.179 -11.082 -8.944 1.00 64.02 C ATOM 1550 O LYS A 98 6.891 -10.576 -10.028 1.00 4.25 O ATOM 1551 CB LYS A 98 9.475 -11.854 -8.321 1.00 11.24 C ATOM 1552 CG LYS A 98 10.384 -11.769 -9.536 1.00 22.12 C ATOM 1553 CD LYS A 98 10.653 -13.142 -10.128 1.00 54.21 C ATOM 1554 CE LYS A 98 10.178 -13.231 -11.570 1.00 54.32 C ATOM 1555 NZ LYS A 98 11.299 -13.057 -12.535 1.00 72.20 N ATOM 0 H LYS A 98 8.767 -10.907 -6.160 1.00 22.24 H new ATOM 0 HA LYS A 98 8.891 -9.823 -8.711 1.00 62.13 H new ATOM 0 HB2 LYS A 98 10.088 -11.866 -7.419 1.00 11.24 H new ATOM 0 HB3 LYS A 98 8.931 -12.798 -8.350 1.00 11.24 H new ATOM 0 HG2 LYS A 98 9.925 -11.130 -10.291 1.00 22.12 H new ATOM 0 HG3 LYS A 98 11.328 -11.302 -9.254 1.00 22.12 H new ATOM 0 HD2 LYS A 98 11.721 -13.356 -10.082 1.00 54.21 H new ATOM 0 HD3 LYS A 98 10.149 -13.902 -9.531 1.00 54.21 H new ATOM 0 HE2 LYS A 98 9.702 -14.197 -11.737 1.00 54.32 H new ATOM 0 HE3 LYS A 98 9.421 -12.468 -11.751 1.00 54.32 H new ATOM 0 HZ1 LYS A 98 10.934 -13.124 -13.507 1.00 72.20 H new ATOM 0 HZ2 LYS A 98 11.737 -12.125 -12.393 1.00 72.20 H new ATOM 0 HZ3 LYS A 98 12.009 -13.801 -12.380 1.00 72.20 H new ATOM 1569 N GLU A 99 6.406 -11.972 -8.331 1.00 24.52 N ATOM 1570 CA GLU A 99 5.144 -12.416 -8.914 1.00 74.42 C ATOM 1571 C GLU A 99 4.281 -11.224 -9.316 1.00 30.32 C ATOM 1572 O GLU A 99 3.624 -11.244 -10.357 1.00 73.15 O ATOM 1573 CB GLU A 99 4.383 -13.299 -7.923 1.00 20.52 C ATOM 1574 CG GLU A 99 3.674 -14.475 -8.575 1.00 43.25 C ATOM 1575 CD GLU A 99 4.607 -15.636 -8.856 1.00 14.33 C ATOM 1576 OE1 GLU A 99 5.839 -15.432 -8.818 1.00 43.52 O ATOM 1577 OE2 GLU A 99 4.106 -16.750 -9.116 1.00 61.35 O ATOM 0 H GLU A 99 6.630 -12.400 -7.432 1.00 24.52 H new ATOM 0 HA GLU A 99 5.370 -12.996 -9.808 1.00 74.42 H new ATOM 0 HB2 GLU A 99 5.081 -13.676 -7.175 1.00 20.52 H new ATOM 0 HB3 GLU A 99 3.649 -12.690 -7.396 1.00 20.52 H new ATOM 0 HG2 GLU A 99 2.866 -14.812 -7.926 1.00 43.25 H new ATOM 0 HG3 GLU A 99 3.217 -14.147 -9.509 1.00 43.25 H new ATOM 1584 N ALA A 100 4.288 -10.188 -8.485 1.00 74.24 N ATOM 1585 CA ALA A 100 3.509 -8.987 -8.754 1.00 10.43 C ATOM 1586 C ALA A 100 4.034 -8.255 -9.985 1.00 24.10 C ATOM 1587 O ALA A 100 3.303 -8.045 -10.953 1.00 13.41 O ATOM 1588 CB ALA A 100 3.523 -8.065 -7.544 1.00 73.43 C ATOM 0 H ALA A 100 4.825 -10.156 -7.619 1.00 74.24 H new ATOM 0 HA ALA A 100 2.481 -9.289 -8.954 1.00 10.43 H new ATOM 0 HB1 ALA A 100 2.937 -7.172 -7.760 1.00 73.43 H new ATOM 0 HB2 ALA A 100 3.093 -8.583 -6.687 1.00 73.43 H new ATOM 0 HB3 ALA A 100 4.550 -7.779 -7.317 1.00 73.43 H new ATOM 1594 N LEU A 101 5.305 -7.871 -9.940 1.00 44.51 N ATOM 1595 CA LEU A 101 5.929 -7.161 -11.052 1.00 23.31 C ATOM 1596 C LEU A 101 5.714 -7.909 -12.364 1.00 21.01 C ATOM 1597 O LEU A 101 5.267 -7.330 -13.354 1.00 2.20 O ATOM 1598 CB LEU A 101 7.425 -6.982 -10.794 1.00 73.14 C ATOM 1599 CG LEU A 101 7.802 -6.294 -9.480 1.00 10.24 C ATOM 1600 CD1 LEU A 101 9.123 -6.834 -8.954 1.00 64.22 C ATOM 1601 CD2 LEU A 101 7.878 -4.787 -9.671 1.00 14.42 C ATOM 0 H LEU A 101 5.923 -8.039 -9.146 1.00 44.51 H new ATOM 0 HA LEU A 101 5.461 -6.180 -11.133 1.00 23.31 H new ATOM 0 HB2 LEU A 101 7.897 -7.964 -10.815 1.00 73.14 H new ATOM 0 HB3 LEU A 101 7.849 -6.407 -11.617 1.00 73.14 H new ATOM 0 HG LEU A 101 7.027 -6.509 -8.744 1.00 10.24 H new ATOM 0 HD11 LEU A 101 9.375 -6.333 -8.019 1.00 64.22 H new ATOM 0 HD12 LEU A 101 9.034 -7.906 -8.778 1.00 64.22 H new ATOM 0 HD13 LEU A 101 9.909 -6.651 -9.687 1.00 64.22 H new ATOM 0 HD21 LEU A 101 8.147 -4.314 -8.727 1.00 14.42 H new ATOM 0 HD22 LEU A 101 8.632 -4.553 -10.422 1.00 14.42 H new ATOM 0 HD23 LEU A 101 6.909 -4.413 -10.001 1.00 14.42 H new ATOM 1613 N ASP A 102 6.033 -9.198 -12.363 1.00 24.22 N ATOM 1614 CA ASP A 102 5.872 -10.027 -13.552 1.00 51.04 C ATOM 1615 C ASP A 102 4.431 -9.986 -14.051 1.00 35.14 C ATOM 1616 O ASP A 102 4.182 -9.942 -15.256 1.00 24.43 O ATOM 1617 CB ASP A 102 6.281 -11.471 -13.253 1.00 1.10 C ATOM 1618 CG ASP A 102 6.433 -12.302 -14.512 1.00 70.05 C ATOM 1619 OD1 ASP A 102 6.357 -11.725 -15.617 1.00 63.00 O ATOM 1620 OD2 ASP A 102 6.630 -13.529 -14.391 1.00 21.03 O ATOM 0 H ASP A 102 6.405 -9.692 -11.552 1.00 24.22 H new ATOM 0 HA ASP A 102 6.520 -9.629 -14.333 1.00 51.04 H new ATOM 0 HB2 ASP A 102 7.223 -11.473 -12.704 1.00 1.10 H new ATOM 0 HB3 ASP A 102 5.534 -11.931 -12.606 1.00 1.10 H new ATOM 1625 N LYS A 103 3.486 -10.002 -13.118 1.00 64.42 N ATOM 1626 CA LYS A 103 2.070 -9.967 -13.462 1.00 5.13 C ATOM 1627 C LYS A 103 1.727 -8.694 -14.229 1.00 12.12 C ATOM 1628 O LYS A 103 0.925 -8.717 -15.162 1.00 22.25 O ATOM 1629 CB LYS A 103 1.214 -10.058 -12.197 1.00 31.30 C ATOM 1630 CG LYS A 103 0.286 -11.260 -12.176 1.00 73.54 C ATOM 1631 CD LYS A 103 1.019 -12.523 -11.753 1.00 41.31 C ATOM 1632 CE LYS A 103 0.050 -13.660 -11.465 1.00 54.43 C ATOM 1633 NZ LYS A 103 0.483 -14.933 -12.104 1.00 54.21 N ATOM 0 H LYS A 103 3.675 -10.039 -12.116 1.00 64.42 H new ATOM 0 HA LYS A 103 1.856 -10.824 -14.101 1.00 5.13 H new ATOM 0 HB2 LYS A 103 1.869 -10.100 -11.327 1.00 31.30 H new ATOM 0 HB3 LYS A 103 0.620 -9.149 -12.104 1.00 31.30 H new ATOM 0 HG2 LYS A 103 -0.540 -11.071 -11.491 1.00 73.54 H new ATOM 0 HG3 LYS A 103 -0.147 -11.404 -13.166 1.00 73.54 H new ATOM 0 HD2 LYS A 103 1.711 -12.824 -12.539 1.00 41.31 H new ATOM 0 HD3 LYS A 103 1.616 -12.318 -10.864 1.00 41.31 H new ATOM 0 HE2 LYS A 103 -0.031 -13.804 -10.388 1.00 54.43 H new ATOM 0 HE3 LYS A 103 -0.943 -13.392 -11.826 1.00 54.43 H new ATOM 0 HZ1 LYS A 103 -0.203 -15.683 -11.884 1.00 54.21 H new ATOM 0 HZ2 LYS A 103 0.536 -14.804 -13.135 1.00 54.21 H new ATOM 0 HZ3 LYS A 103 1.419 -15.203 -11.740 1.00 54.21 H new ATOM 1647 N ILE A 104 2.342 -7.586 -13.831 1.00 14.21 N ATOM 1648 CA ILE A 104 2.104 -6.304 -14.484 1.00 32.41 C ATOM 1649 C ILE A 104 2.895 -6.193 -15.783 1.00 34.22 C ATOM 1650 O ILE A 104 2.426 -5.607 -16.758 1.00 72.03 O ATOM 1651 CB ILE A 104 2.481 -5.126 -13.565 1.00 4.10 C ATOM 1652 CG1 ILE A 104 1.707 -5.212 -12.248 1.00 42.44 C ATOM 1653 CG2 ILE A 104 2.205 -3.803 -14.262 1.00 41.52 C ATOM 1654 CD1 ILE A 104 2.169 -4.212 -11.210 1.00 63.13 C ATOM 0 H ILE A 104 3.009 -7.550 -13.060 1.00 14.21 H new ATOM 0 HA ILE A 104 1.038 -6.256 -14.705 1.00 32.41 H new ATOM 0 HB ILE A 104 3.547 -5.182 -13.343 1.00 4.10 H new ATOM 0 HG12 ILE A 104 0.647 -5.053 -12.448 1.00 42.44 H new ATOM 0 HG13 ILE A 104 1.808 -6.218 -11.842 1.00 42.44 H new ATOM 0 HG21 ILE A 104 2.476 -2.980 -13.601 1.00 41.52 H new ATOM 0 HG22 ILE A 104 2.795 -3.743 -15.176 1.00 41.52 H new ATOM 0 HG23 ILE A 104 1.145 -3.736 -14.509 1.00 41.52 H new ATOM 0 HD11 ILE A 104 1.577 -4.330 -10.302 1.00 63.13 H new ATOM 0 HD12 ILE A 104 3.221 -4.384 -10.982 1.00 63.13 H new ATOM 0 HD13 ILE A 104 2.042 -3.201 -11.597 1.00 63.13 H new ATOM 1666 N GLU A 105 4.098 -6.761 -15.788 1.00 45.13 N ATOM 1667 CA GLU A 105 4.953 -6.727 -16.968 1.00 21.22 C ATOM 1668 C GLU A 105 4.325 -7.511 -18.117 1.00 13.35 C ATOM 1669 O GLU A 105 4.216 -7.011 -19.236 1.00 13.43 O ATOM 1670 CB GLU A 105 6.334 -7.297 -16.641 1.00 53.11 C ATOM 1671 CG GLU A 105 7.203 -6.356 -15.823 1.00 23.23 C ATOM 1672 CD GLU A 105 8.561 -6.948 -15.503 1.00 72.25 C ATOM 1673 OE1 GLU A 105 9.495 -6.764 -16.312 1.00 31.22 O ATOM 1674 OE2 GLU A 105 8.692 -7.595 -14.442 1.00 41.23 O ATOM 0 H GLU A 105 4.501 -7.249 -14.988 1.00 45.13 H new ATOM 0 HA GLU A 105 5.062 -5.687 -17.277 1.00 21.22 H new ATOM 0 HB2 GLU A 105 6.212 -8.232 -16.095 1.00 53.11 H new ATOM 0 HB3 GLU A 105 6.849 -7.536 -17.572 1.00 53.11 H new ATOM 0 HG2 GLU A 105 7.337 -5.423 -16.370 1.00 23.23 H new ATOM 0 HG3 GLU A 105 6.690 -6.109 -14.893 1.00 23.23 H new ATOM 1681 N GLU A 106 3.917 -8.743 -17.832 1.00 25.40 N ATOM 1682 CA GLU A 106 3.302 -9.597 -18.842 1.00 41.42 C ATOM 1683 C GLU A 106 2.039 -8.952 -19.404 1.00 43.01 C ATOM 1684 O GLU A 106 1.771 -9.028 -20.602 1.00 24.42 O ATOM 1685 CB GLU A 106 2.968 -10.967 -18.249 1.00 54.24 C ATOM 1686 CG GLU A 106 4.134 -11.940 -18.272 1.00 33.44 C ATOM 1687 CD GLU A 106 3.690 -13.379 -18.460 1.00 5.40 C ATOM 1688 OE1 GLU A 106 3.313 -13.740 -19.594 1.00 0.44 O ATOM 1689 OE2 GLU A 106 3.720 -14.142 -17.472 1.00 53.12 O ATOM 0 H GLU A 106 4.001 -9.172 -16.911 1.00 25.40 H new ATOM 0 HA GLU A 106 4.016 -9.726 -19.655 1.00 41.42 H new ATOM 0 HB2 GLU A 106 2.635 -10.837 -17.219 1.00 54.24 H new ATOM 0 HB3 GLU A 106 2.134 -11.399 -18.802 1.00 54.24 H new ATOM 0 HG2 GLU A 106 4.815 -11.666 -19.077 1.00 33.44 H new ATOM 0 HG3 GLU A 106 4.692 -11.855 -17.340 1.00 33.44 H new ATOM 1696 N GLU A 107 1.266 -8.317 -18.528 1.00 64.04 N ATOM 1697 CA GLU A 107 0.029 -7.660 -18.936 1.00 32.22 C ATOM 1698 C GLU A 107 0.318 -6.489 -19.871 1.00 14.44 C ATOM 1699 O GLU A 107 -0.304 -6.355 -20.925 1.00 34.42 O ATOM 1700 CB GLU A 107 -0.743 -7.169 -17.710 1.00 31.20 C ATOM 1701 CG GLU A 107 -2.009 -7.962 -17.431 1.00 43.41 C ATOM 1702 CD GLU A 107 -3.255 -7.097 -17.452 1.00 74.21 C ATOM 1703 OE1 GLU A 107 -3.345 -6.210 -18.327 1.00 50.43 O ATOM 1704 OE2 GLU A 107 -4.138 -7.308 -16.596 1.00 41.53 O ATOM 0 H GLU A 107 1.474 -8.244 -17.532 1.00 64.04 H new ATOM 0 HA GLU A 107 -0.580 -8.389 -19.471 1.00 32.22 H new ATOM 0 HB2 GLU A 107 -0.092 -7.220 -16.837 1.00 31.20 H new ATOM 0 HB3 GLU A 107 -1.005 -6.120 -17.852 1.00 31.20 H new ATOM 0 HG2 GLU A 107 -2.108 -8.754 -18.173 1.00 43.41 H new ATOM 0 HG3 GLU A 107 -1.923 -8.446 -16.458 1.00 43.41 H new ATOM 1711 N GLN A 108 1.266 -5.645 -19.476 1.00 1.33 N ATOM 1712 CA GLN A 108 1.637 -4.484 -20.278 1.00 62.51 C ATOM 1713 C GLN A 108 2.126 -4.910 -21.658 1.00 52.12 C ATOM 1714 O GLN A 108 1.838 -4.257 -22.659 1.00 43.41 O ATOM 1715 CB GLN A 108 2.721 -3.672 -19.567 1.00 24.54 C ATOM 1716 CG GLN A 108 2.213 -2.368 -18.974 1.00 4.10 C ATOM 1717 CD GLN A 108 2.229 -1.227 -19.972 1.00 2.11 C ATOM 1718 OE1 GLN A 108 1.215 -0.921 -20.599 1.00 60.25 O ATOM 1719 NE2 GLN A 108 3.384 -0.590 -20.124 1.00 32.13 N ATOM 0 H GLN A 108 1.791 -5.743 -18.607 1.00 1.33 H new ATOM 0 HA GLN A 108 0.751 -3.862 -20.403 1.00 62.51 H new ATOM 0 HB2 GLN A 108 3.155 -4.278 -18.772 1.00 24.54 H new ATOM 0 HB3 GLN A 108 3.521 -3.453 -20.274 1.00 24.54 H new ATOM 0 HG2 GLN A 108 1.196 -2.511 -18.608 1.00 4.10 H new ATOM 0 HG3 GLN A 108 2.827 -2.101 -18.113 1.00 4.10 H new ATOM 0 HE21 GLN A 108 4.200 -0.877 -19.583 1.00 32.13 H new ATOM 0 HE22 GLN A 108 3.455 0.187 -20.781 1.00 32.13 H new ATOM 1728 N ASN A 109 2.870 -6.011 -21.703 1.00 13.03 N ATOM 1729 CA ASN A 109 3.402 -6.524 -22.960 1.00 5.33 C ATOM 1730 C ASN A 109 2.300 -7.173 -23.792 1.00 24.33 C ATOM 1731 O ASN A 109 2.294 -7.078 -25.020 1.00 14.14 O ATOM 1732 CB ASN A 109 4.516 -7.536 -22.692 1.00 32.10 C ATOM 1733 CG ASN A 109 5.893 -6.974 -22.990 1.00 3.51 C ATOM 1734 OD1 ASN A 109 6.202 -5.837 -22.630 1.00 42.30 O ATOM 1735 ND2 ASN A 109 6.727 -7.768 -23.651 1.00 63.13 N ATOM 0 H ASN A 109 3.118 -6.565 -20.883 1.00 13.03 H new ATOM 0 HA ASN A 109 3.811 -5.684 -23.522 1.00 5.33 H new ATOM 0 HB2 ASN A 109 4.473 -7.851 -21.649 1.00 32.10 H new ATOM 0 HB3 ASN A 109 4.350 -8.425 -23.301 1.00 32.10 H new ATOM 0 HD21 ASN A 109 7.666 -7.443 -23.880 1.00 63.13 H new ATOM 0 HD22 ASN A 109 6.428 -8.703 -23.929 1.00 63.13 H new ATOM 1742 N LYS A 110 1.366 -7.833 -23.115 1.00 4.23 N ATOM 1743 CA LYS A 110 0.256 -8.496 -23.790 1.00 62.24 C ATOM 1744 C LYS A 110 -0.615 -7.485 -24.527 1.00 21.45 C ATOM 1745 O LYS A 110 -1.141 -7.773 -25.603 1.00 0.13 O ATOM 1746 CB LYS A 110 -0.590 -9.274 -22.779 1.00 52.42 C ATOM 1747 CG LYS A 110 -0.474 -10.782 -22.920 1.00 13.53 C ATOM 1748 CD LYS A 110 -1.839 -11.436 -23.056 1.00 40.33 C ATOM 1749 CE LYS A 110 -1.719 -12.940 -23.239 1.00 21.34 C ATOM 1750 NZ LYS A 110 -1.775 -13.330 -24.675 1.00 22.53 N ATOM 0 H LYS A 110 1.356 -7.923 -22.099 1.00 4.23 H new ATOM 0 HA LYS A 110 0.670 -9.191 -24.520 1.00 62.24 H new ATOM 0 HB2 LYS A 110 -0.290 -8.988 -21.771 1.00 52.42 H new ATOM 0 HB3 LYS A 110 -1.635 -8.986 -22.895 1.00 52.42 H new ATOM 0 HG2 LYS A 110 0.134 -11.021 -23.793 1.00 13.53 H new ATOM 0 HG3 LYS A 110 0.041 -11.191 -22.051 1.00 13.53 H new ATOM 0 HD2 LYS A 110 -2.436 -11.223 -22.169 1.00 40.33 H new ATOM 0 HD3 LYS A 110 -2.367 -11.006 -23.907 1.00 40.33 H new ATOM 0 HE2 LYS A 110 -0.780 -13.285 -22.805 1.00 21.34 H new ATOM 0 HE3 LYS A 110 -2.523 -13.437 -22.696 1.00 21.34 H new ATOM 0 HZ1 LYS A 110 -1.690 -14.363 -24.758 1.00 22.53 H new ATOM 0 HZ2 LYS A 110 -2.681 -13.024 -25.083 1.00 22.53 H new ATOM 0 HZ3 LYS A 110 -0.993 -12.876 -25.189 1.00 22.53 H new ATOM 1764 N SER A 111 -0.764 -6.300 -23.944 1.00 70.33 N ATOM 1765 CA SER A 111 -1.573 -5.248 -24.545 1.00 41.44 C ATOM 1766 C SER A 111 -0.980 -4.799 -25.877 1.00 43.04 C ATOM 1767 O SER A 111 -1.699 -4.362 -26.775 1.00 52.33 O ATOM 1768 CB SER A 111 -1.683 -4.054 -23.595 1.00 54.22 C ATOM 1769 OG SER A 111 -2.607 -4.314 -22.553 1.00 71.32 O ATOM 0 H SER A 111 -0.334 -6.045 -23.055 1.00 70.33 H new ATOM 0 HA SER A 111 -2.569 -5.651 -24.728 1.00 41.44 H new ATOM 0 HB2 SER A 111 -0.704 -3.832 -23.170 1.00 54.22 H new ATOM 0 HB3 SER A 111 -1.997 -3.171 -24.151 1.00 54.22 H new ATOM 0 HG SER A 111 -2.657 -3.536 -21.959 1.00 71.32 H new ATOM 1775 N LYS A 112 0.338 -4.911 -25.997 1.00 34.21 N ATOM 1776 CA LYS A 112 1.032 -4.520 -27.219 1.00 52.21 C ATOM 1777 C LYS A 112 0.728 -5.494 -28.353 1.00 51.13 C ATOM 1778 O LYS A 112 0.641 -5.100 -29.516 1.00 23.03 O ATOM 1779 CB LYS A 112 2.542 -4.459 -26.976 1.00 70.22 C ATOM 1780 CG LYS A 112 3.219 -3.279 -27.649 1.00 22.24 C ATOM 1781 CD LYS A 112 4.402 -3.723 -28.494 1.00 3.52 C ATOM 1782 CE LYS A 112 5.532 -4.261 -27.631 1.00 51.31 C ATOM 1783 NZ LYS A 112 5.970 -5.614 -28.071 1.00 23.33 N ATOM 0 H LYS A 112 0.948 -5.270 -25.262 1.00 34.21 H new ATOM 0 HA LYS A 112 0.677 -3.531 -27.508 1.00 52.21 H new ATOM 0 HB2 LYS A 112 2.727 -4.410 -25.903 1.00 70.22 H new ATOM 0 HB3 LYS A 112 2.997 -5.382 -27.336 1.00 70.22 H new ATOM 0 HG2 LYS A 112 2.499 -2.754 -28.277 1.00 22.24 H new ATOM 0 HG3 LYS A 112 3.557 -2.571 -26.892 1.00 22.24 H new ATOM 0 HD2 LYS A 112 4.081 -4.493 -29.196 1.00 3.52 H new ATOM 0 HD3 LYS A 112 4.764 -2.882 -29.086 1.00 3.52 H new ATOM 0 HE2 LYS A 112 6.378 -3.575 -27.671 1.00 51.31 H new ATOM 0 HE3 LYS A 112 5.206 -4.305 -26.592 1.00 51.31 H new ATOM 0 HZ1 LYS A 112 6.742 -5.946 -27.458 1.00 23.33 H new ATOM 0 HZ2 LYS A 112 5.170 -6.275 -28.009 1.00 23.33 H new ATOM 0 HZ3 LYS A 112 6.305 -5.568 -29.054 1.00 23.33 H new ATOM 1797 N LYS A 113 0.565 -6.766 -28.007 1.00 74.23 N ATOM 1798 CA LYS A 113 0.267 -7.797 -28.995 1.00 54.54 C ATOM 1799 C LYS A 113 -1.096 -7.558 -29.635 1.00 41.21 C ATOM 1800 O LYS A 113 -1.228 -7.561 -30.859 1.00 15.41 O ATOM 1801 CB LYS A 113 0.303 -9.181 -28.344 1.00 43.21 C ATOM 1802 CG LYS A 113 1.688 -9.803 -28.311 1.00 4.32 C ATOM 1803 CD LYS A 113 1.710 -11.070 -27.472 1.00 15.45 C ATOM 1804 CE LYS A 113 2.300 -10.815 -26.094 1.00 60.32 C ATOM 1805 NZ LYS A 113 3.583 -11.545 -25.896 1.00 42.33 N ATOM 0 H LYS A 113 0.634 -7.109 -27.049 1.00 74.23 H new ATOM 0 HA LYS A 113 1.027 -7.750 -29.775 1.00 54.54 H new ATOM 0 HB2 LYS A 113 -0.075 -9.104 -27.325 1.00 43.21 H new ATOM 0 HB3 LYS A 113 -0.371 -9.845 -28.885 1.00 43.21 H new ATOM 0 HG2 LYS A 113 2.009 -10.033 -29.327 1.00 4.32 H new ATOM 0 HG3 LYS A 113 2.401 -9.085 -27.906 1.00 4.32 H new ATOM 0 HD2 LYS A 113 0.696 -11.457 -27.369 1.00 15.45 H new ATOM 0 HD3 LYS A 113 2.293 -11.836 -27.983 1.00 15.45 H new ATOM 0 HE2 LYS A 113 2.466 -9.746 -25.962 1.00 60.32 H new ATOM 0 HE3 LYS A 113 1.586 -11.123 -25.330 1.00 60.32 H new ATOM 0 HZ1 LYS A 113 3.953 -11.345 -24.945 1.00 42.33 H new ATOM 0 HZ2 LYS A 113 3.420 -12.567 -25.996 1.00 42.33 H new ATOM 0 HZ3 LYS A 113 4.273 -11.233 -26.609 1.00 42.33 H new ATOM 1819 N LYS A 114 -2.108 -7.350 -28.800 1.00 24.44 N ATOM 1820 CA LYS A 114 -3.462 -7.108 -29.285 1.00 11.21 C ATOM 1821 C LYS A 114 -3.559 -5.749 -29.971 1.00 22.43 C ATOM 1822 O LYS A 114 -4.386 -5.550 -30.860 1.00 25.21 O ATOM 1823 CB LYS A 114 -4.461 -7.178 -28.127 1.00 31.22 C ATOM 1824 CG LYS A 114 -5.663 -8.061 -28.413 1.00 4.03 C ATOM 1825 CD LYS A 114 -6.550 -8.210 -27.189 1.00 52.42 C ATOM 1826 CE LYS A 114 -7.796 -7.343 -27.295 1.00 64.33 C ATOM 1827 NZ LYS A 114 -9.016 -8.157 -27.554 1.00 52.12 N ATOM 0 H LYS A 114 -2.017 -7.344 -27.784 1.00 24.44 H new ATOM 0 HA LYS A 114 -3.704 -7.882 -30.013 1.00 11.21 H new ATOM 0 HB2 LYS A 114 -3.950 -7.551 -27.239 1.00 31.22 H new ATOM 0 HB3 LYS A 114 -4.808 -6.171 -27.896 1.00 31.22 H new ATOM 0 HG2 LYS A 114 -6.241 -7.635 -29.233 1.00 4.03 H new ATOM 0 HG3 LYS A 114 -5.324 -9.044 -28.739 1.00 4.03 H new ATOM 0 HD2 LYS A 114 -6.841 -9.254 -27.074 1.00 52.42 H new ATOM 0 HD3 LYS A 114 -5.989 -7.935 -26.296 1.00 52.42 H new ATOM 0 HE2 LYS A 114 -7.925 -6.778 -26.372 1.00 64.33 H new ATOM 0 HE3 LYS A 114 -7.666 -6.617 -28.098 1.00 64.33 H new ATOM 0 HZ1 LYS A 114 -9.844 -7.531 -27.620 1.00 52.12 H new ATOM 0 HZ2 LYS A 114 -8.903 -8.677 -28.448 1.00 52.12 H new ATOM 0 HZ3 LYS A 114 -9.154 -8.833 -26.776 1.00 52.12 H new ATOM 1841 N ALA A 115 -2.708 -4.819 -29.554 1.00 52.53 N ATOM 1842 CA ALA A 115 -2.695 -3.480 -30.131 1.00 72.22 C ATOM 1843 C ALA A 115 -2.419 -3.531 -31.629 1.00 61.41 C ATOM 1844 O ALA A 115 -2.838 -2.648 -32.376 1.00 2.54 O ATOM 1845 CB ALA A 115 -1.659 -2.613 -29.431 1.00 42.00 C ATOM 0 H ALA A 115 -2.018 -4.968 -28.818 1.00 52.53 H new ATOM 0 HA ALA A 115 -3.681 -3.039 -29.984 1.00 72.22 H new ATOM 0 HB1 ALA A 115 -1.661 -1.616 -29.872 1.00 42.00 H new ATOM 0 HB2 ALA A 115 -1.901 -2.541 -28.371 1.00 42.00 H new ATOM 0 HB3 ALA A 115 -0.672 -3.060 -29.548 1.00 42.00 H new ATOM 1851 N GLN A 116 -1.713 -4.571 -32.061 1.00 50.11 N ATOM 1852 CA GLN A 116 -1.380 -4.735 -33.472 1.00 62.32 C ATOM 1853 C GLN A 116 -1.905 -6.064 -34.003 1.00 63.04 C ATOM 1854 O GLN A 116 -1.197 -6.784 -34.709 1.00 44.31 O ATOM 1855 CB GLN A 116 0.133 -4.653 -33.673 1.00 12.34 C ATOM 1856 CG GLN A 116 0.745 -3.354 -33.174 1.00 42.11 C ATOM 1857 CD GLN A 116 2.245 -3.298 -33.380 1.00 10.42 C ATOM 1858 OE1 GLN A 116 2.724 -3.138 -34.504 1.00 43.35 O ATOM 1859 NE2 GLN A 116 2.998 -3.428 -32.294 1.00 61.22 N ATOM 0 H GLN A 116 -1.361 -5.312 -31.455 1.00 50.11 H new ATOM 0 HA GLN A 116 -1.857 -3.928 -34.029 1.00 62.32 H new ATOM 0 HB2 GLN A 116 0.605 -5.489 -33.157 1.00 12.34 H new ATOM 0 HB3 GLN A 116 0.357 -4.766 -34.734 1.00 12.34 H new ATOM 0 HG2 GLN A 116 0.280 -2.515 -33.692 1.00 42.11 H new ATOM 0 HG3 GLN A 116 0.523 -3.236 -32.113 1.00 42.11 H new ATOM 0 HE21 GLN A 116 2.560 -3.559 -31.382 1.00 61.22 H new ATOM 0 HE22 GLN A 116 4.015 -3.397 -32.372 1.00 61.22 H new ATOM 1868 N GLN A 117 -3.149 -6.385 -33.659 1.00 33.02 N ATOM 1869 CA GLN A 117 -3.767 -7.629 -34.101 1.00 35.25 C ATOM 1870 C GLN A 117 -5.183 -7.382 -34.611 1.00 72.35 C ATOM 1871 O GLN A 117 -5.478 -7.604 -35.784 1.00 63.14 O ATOM 1872 CB GLN A 117 -3.792 -8.645 -32.958 1.00 3.25 C ATOM 1873 CG GLN A 117 -3.214 -10.000 -33.335 1.00 42.31 C ATOM 1874 CD GLN A 117 -4.274 -11.078 -33.438 1.00 1.13 C ATOM 1875 OE1 GLN A 117 -4.579 -11.761 -32.460 1.00 11.14 O ATOM 1876 NE2 GLN A 117 -4.843 -11.237 -34.628 1.00 33.01 N ATOM 0 H GLN A 117 -3.748 -5.800 -33.076 1.00 33.02 H new ATOM 0 HA GLN A 117 -3.171 -8.031 -34.920 1.00 35.25 H new ATOM 0 HB2 GLN A 117 -3.232 -8.243 -32.113 1.00 3.25 H new ATOM 0 HB3 GLN A 117 -4.821 -8.778 -32.624 1.00 3.25 H new ATOM 0 HG2 GLN A 117 -2.693 -9.916 -34.289 1.00 42.31 H new ATOM 0 HG3 GLN A 117 -2.473 -10.294 -32.592 1.00 42.31 H new ATOM 0 HE21 GLN A 117 -4.560 -10.649 -35.412 1.00 33.01 H new ATOM 0 HE22 GLN A 117 -5.563 -11.947 -34.758 1.00 33.01 H new ATOM 1885 N ALA A 118 -6.055 -6.923 -33.719 1.00 43.10 N ATOM 1886 CA ALA A 118 -7.440 -6.645 -34.078 1.00 50.05 C ATOM 1887 C ALA A 118 -7.556 -5.329 -34.838 1.00 14.13 C ATOM 1888 O ALA A 118 -8.423 -5.172 -35.699 1.00 73.35 O ATOM 1889 CB ALA A 118 -8.313 -6.616 -32.832 1.00 10.31 C ATOM 0 H ALA A 118 -5.827 -6.736 -32.743 1.00 43.10 H new ATOM 0 HA ALA A 118 -7.787 -7.444 -34.733 1.00 50.05 H new ATOM 0 HB1 ALA A 118 -9.345 -6.407 -33.115 1.00 10.31 H new ATOM 0 HB2 ALA A 118 -8.263 -7.582 -32.330 1.00 10.31 H new ATOM 0 HB3 ALA A 118 -7.958 -5.838 -32.157 1.00 10.31 H new ATOM 1895 N ALA A 119 -6.678 -4.384 -34.515 1.00 62.14 N ATOM 1896 CA ALA A 119 -6.682 -3.082 -35.168 1.00 2.45 C ATOM 1897 C ALA A 119 -5.796 -3.088 -36.409 1.00 24.14 C ATOM 1898 O ALA A 119 -4.745 -2.449 -36.437 1.00 75.55 O ATOM 1899 CB ALA A 119 -6.226 -2.002 -34.198 1.00 32.31 C ATOM 0 H ALA A 119 -5.955 -4.497 -33.804 1.00 62.14 H new ATOM 0 HA ALA A 119 -7.703 -2.865 -35.482 1.00 2.45 H new ATOM 0 HB1 ALA A 119 -6.234 -1.035 -34.700 1.00 32.31 H new ATOM 0 HB2 ALA A 119 -6.901 -1.972 -33.343 1.00 32.31 H new ATOM 0 HB3 ALA A 119 -5.216 -2.224 -33.855 1.00 32.31 H new ATOM 1905 N ALA A 120 -6.228 -3.814 -37.435 1.00 11.23 N ATOM 1906 CA ALA A 120 -5.475 -3.902 -38.680 1.00 30.55 C ATOM 1907 C ALA A 120 -6.404 -4.114 -39.871 1.00 41.52 C ATOM 1908 O ALA A 120 -6.369 -3.355 -40.839 1.00 2.53 O ATOM 1909 CB ALA A 120 -4.452 -5.026 -38.600 1.00 10.43 C ATOM 0 H ALA A 120 -7.096 -4.350 -37.428 1.00 11.23 H new ATOM 0 HA ALA A 120 -4.951 -2.957 -38.825 1.00 30.55 H new ATOM 0 HB1 ALA A 120 -3.897 -5.080 -39.537 1.00 10.43 H new ATOM 0 HB2 ALA A 120 -3.761 -4.832 -37.780 1.00 10.43 H new ATOM 0 HB3 ALA A 120 -4.964 -5.972 -38.427 1.00 10.43 H new ATOM 1915 N ASP A 121 -7.232 -5.148 -39.792 1.00 65.41 N ATOM 1916 CA ASP A 121 -8.171 -5.460 -40.863 1.00 41.50 C ATOM 1917 C ASP A 121 -9.046 -4.252 -41.187 1.00 75.12 C ATOM 1918 O ASP A 121 -9.425 -4.038 -42.339 1.00 0.40 O ATOM 1919 CB ASP A 121 -9.049 -6.650 -40.472 1.00 61.05 C ATOM 1920 CG ASP A 121 -9.559 -7.415 -41.677 1.00 11.35 C ATOM 1921 OD1 ASP A 121 -9.382 -6.921 -42.811 1.00 73.25 O ATOM 1922 OD2 ASP A 121 -10.136 -8.506 -41.487 1.00 1.13 O ATOM 0 H ASP A 121 -7.273 -5.786 -38.997 1.00 65.41 H new ATOM 0 HA ASP A 121 -7.596 -5.720 -41.752 1.00 41.50 H new ATOM 0 HB2 ASP A 121 -8.479 -7.324 -39.833 1.00 61.05 H new ATOM 0 HB3 ASP A 121 -9.896 -6.295 -39.886 1.00 61.05 H new ATOM 1927 N THR A 122 -9.363 -3.466 -40.163 1.00 23.35 N ATOM 1928 CA THR A 122 -10.194 -2.281 -40.338 1.00 23.52 C ATOM 1929 C THR A 122 -9.339 -1.029 -40.496 1.00 63.25 C ATOM 1930 O THR A 122 -8.584 -0.664 -39.596 1.00 52.04 O ATOM 1931 CB THR A 122 -11.155 -2.089 -39.150 1.00 52.32 C ATOM 1932 OG1 THR A 122 -10.408 -1.910 -37.941 1.00 65.41 O ATOM 1933 CG2 THR A 122 -12.085 -3.284 -39.006 1.00 32.43 C ATOM 0 H THR A 122 -9.057 -3.629 -39.204 1.00 23.35 H new ATOM 0 HA THR A 122 -10.778 -2.434 -41.246 1.00 23.52 H new ATOM 0 HB THR A 122 -11.759 -1.201 -39.339 1.00 52.32 H new ATOM 0 HG1 THR A 122 -9.628 -1.344 -38.119 1.00 65.41 H new ATOM 0 HG21 THR A 122 -12.754 -3.125 -38.160 1.00 32.43 H new ATOM 0 HG22 THR A 122 -12.673 -3.400 -39.917 1.00 32.43 H new ATOM 0 HG23 THR A 122 -11.496 -4.185 -38.838 1.00 32.43 H new ATOM 1941 N GLY A 123 -9.465 -0.372 -41.644 1.00 23.01 N ATOM 1942 CA GLY A 123 -8.699 0.834 -41.897 1.00 31.22 C ATOM 1943 C GLY A 123 -9.048 1.475 -43.226 1.00 40.42 C ATOM 1944 O GLY A 123 -9.191 2.694 -43.315 1.00 34.14 O ATOM 0 H GLY A 123 -10.084 -0.653 -42.404 1.00 23.01 H new ATOM 0 HA2 GLY A 123 -8.878 1.549 -41.094 1.00 31.22 H new ATOM 0 HA3 GLY A 123 -7.636 0.595 -41.880 1.00 31.22 H new ATOM 1948 N ASN A 124 -9.185 0.652 -44.261 1.00 60.22 N ATOM 1949 CA ASN A 124 -9.517 1.147 -45.592 1.00 53.13 C ATOM 1950 C ASN A 124 -10.922 1.742 -45.615 1.00 31.42 C ATOM 1951 O ASN A 124 -11.913 1.023 -45.498 1.00 21.12 O ATOM 1952 CB ASN A 124 -9.411 0.018 -46.619 1.00 2.42 C ATOM 1953 CG ASN A 124 -8.731 0.463 -47.898 1.00 2.24 C ATOM 1954 OD1 ASN A 124 -9.262 0.278 -48.994 1.00 30.41 O ATOM 1955 ND2 ASN A 124 -7.548 1.053 -47.766 1.00 61.44 N ATOM 0 H ASN A 124 -9.071 -0.360 -44.203 1.00 60.22 H new ATOM 0 HA ASN A 124 -8.805 1.931 -45.850 1.00 53.13 H new ATOM 0 HB2 ASN A 124 -8.855 -0.813 -46.185 1.00 2.42 H new ATOM 0 HB3 ASN A 124 -10.409 -0.353 -46.851 1.00 2.42 H new ATOM 0 HD21 ASN A 124 -7.043 1.373 -48.592 1.00 61.44 H new ATOM 0 HD22 ASN A 124 -7.145 1.186 -46.838 1.00 61.44 H new ATOM 1962 N ASN A 125 -10.998 3.059 -45.770 1.00 5.22 N ATOM 1963 CA ASN A 125 -12.281 3.752 -45.810 1.00 44.02 C ATOM 1964 C ASN A 125 -13.132 3.255 -46.975 1.00 74.13 C ATOM 1965 O ASN A 125 -12.931 3.660 -48.120 1.00 43.12 O ATOM 1966 CB ASN A 125 -12.066 5.261 -45.929 1.00 53.54 C ATOM 1967 CG ASN A 125 -13.246 6.057 -45.403 1.00 53.22 C ATOM 1968 OD1 ASN A 125 -14.401 5.701 -45.635 1.00 1.12 O ATOM 1969 ND2 ASN A 125 -12.959 7.140 -44.690 1.00 70.42 N ATOM 0 H ASN A 125 -10.186 3.669 -45.870 1.00 5.22 H new ATOM 0 HA ASN A 125 -12.809 3.539 -44.881 1.00 44.02 H new ATOM 0 HB2 ASN A 125 -11.168 5.542 -45.379 1.00 53.54 H new ATOM 0 HB3 ASN A 125 -11.894 5.519 -46.974 1.00 53.54 H new ATOM 0 HD21 ASN A 125 -13.711 7.714 -44.310 1.00 70.42 H new ATOM 0 HD22 ASN A 125 -11.986 7.397 -44.523 1.00 70.42 H new ATOM 1976 N SER A 126 -14.081 2.374 -46.674 1.00 2.20 N ATOM 1977 CA SER A 126 -14.960 1.820 -47.696 1.00 32.44 C ATOM 1978 C SER A 126 -16.392 1.708 -47.179 1.00 32.24 C ATOM 1979 O SER A 126 -16.716 2.217 -46.108 1.00 42.45 O ATOM 1980 CB SER A 126 -14.457 0.444 -48.139 1.00 41.10 C ATOM 1981 OG SER A 126 -13.054 0.337 -47.976 1.00 12.10 O ATOM 0 H SER A 126 -14.260 2.029 -45.731 1.00 2.20 H new ATOM 0 HA SER A 126 -14.953 2.495 -48.552 1.00 32.44 H new ATOM 0 HB2 SER A 126 -14.954 -0.333 -47.558 1.00 41.10 H new ATOM 0 HB3 SER A 126 -14.719 0.277 -49.184 1.00 41.10 H new ATOM 0 HG SER A 126 -12.825 0.454 -47.030 1.00 12.10 H new ATOM 1987 N GLN A 127 -17.241 1.038 -47.950 1.00 64.51 N ATOM 1988 CA GLN A 127 -18.639 0.860 -47.571 1.00 32.41 C ATOM 1989 C GLN A 127 -19.166 -0.488 -48.053 1.00 15.44 C ATOM 1990 O GLN A 127 -19.607 -1.316 -47.256 1.00 52.40 O ATOM 1991 CB GLN A 127 -19.493 1.990 -48.146 1.00 13.15 C ATOM 1992 CG GLN A 127 -19.879 3.043 -47.120 1.00 23.34 C ATOM 1993 CD GLN A 127 -20.386 4.321 -47.758 1.00 53.24 C ATOM 1994 OE1 GLN A 127 -21.516 4.380 -48.243 1.00 52.34 O ATOM 1995 NE2 GLN A 127 -19.551 5.353 -47.760 1.00 12.40 N ATOM 0 H GLN A 127 -16.987 0.609 -48.840 1.00 64.51 H new ATOM 0 HA GLN A 127 -18.701 0.886 -46.483 1.00 32.41 H new ATOM 0 HB2 GLN A 127 -18.947 2.469 -48.959 1.00 13.15 H new ATOM 0 HB3 GLN A 127 -20.400 1.566 -48.578 1.00 13.15 H new ATOM 0 HG2 GLN A 127 -20.649 2.639 -46.463 1.00 23.34 H new ATOM 0 HG3 GLN A 127 -19.015 3.271 -46.496 1.00 23.34 H new ATOM 0 HE21 GLN A 127 -18.623 5.259 -47.347 1.00 12.40 H new ATOM 0 HE22 GLN A 127 -19.837 6.240 -48.175 1.00 12.40 H new ATOM 2004 N VAL A 128 -19.118 -0.701 -49.365 1.00 71.22 N ATOM 2005 CA VAL A 128 -19.590 -1.949 -49.954 1.00 21.30 C ATOM 2006 C VAL A 128 -18.672 -3.111 -49.590 1.00 24.34 C ATOM 2007 O VAL A 128 -17.719 -3.411 -50.308 1.00 54.13 O ATOM 2008 CB VAL A 128 -19.684 -1.845 -51.488 1.00 42.43 C ATOM 2009 CG1 VAL A 128 -20.184 -3.153 -52.083 1.00 73.45 C ATOM 2010 CG2 VAL A 128 -20.588 -0.689 -51.889 1.00 44.11 C ATOM 0 H VAL A 128 -18.757 -0.026 -50.039 1.00 71.22 H new ATOM 0 HA VAL A 128 -20.584 -2.134 -49.548 1.00 21.30 H new ATOM 0 HB VAL A 128 -18.687 -1.651 -51.883 1.00 42.43 H new ATOM 0 HG11 VAL A 128 -20.244 -3.060 -53.167 1.00 73.45 H new ATOM 0 HG12 VAL A 128 -19.495 -3.957 -51.825 1.00 73.45 H new ATOM 0 HG13 VAL A 128 -21.172 -3.380 -51.683 1.00 73.45 H new ATOM 0 HG21 VAL A 128 -20.643 -0.630 -52.976 1.00 44.11 H new ATOM 0 HG22 VAL A 128 -21.587 -0.850 -51.483 1.00 44.11 H new ATOM 0 HG23 VAL A 128 -20.183 0.243 -51.495 1.00 44.11 H new ATOM 2020 N SER A 129 -18.968 -3.762 -48.469 1.00 3.20 N ATOM 2021 CA SER A 129 -18.168 -4.890 -48.007 1.00 34.11 C ATOM 2022 C SER A 129 -19.045 -5.938 -47.330 1.00 62.43 C ATOM 2023 O SER A 129 -20.104 -5.619 -46.789 1.00 30.03 O ATOM 2024 CB SER A 129 -17.086 -4.411 -47.038 1.00 54.02 C ATOM 2025 OG SER A 129 -17.522 -3.281 -46.304 1.00 52.24 O ATOM 0 H SER A 129 -19.755 -3.528 -47.865 1.00 3.20 H new ATOM 0 HA SER A 129 -17.693 -5.346 -48.875 1.00 34.11 H new ATOM 0 HB2 SER A 129 -16.826 -5.217 -46.351 1.00 54.02 H new ATOM 0 HB3 SER A 129 -16.182 -4.161 -47.593 1.00 54.02 H new ATOM 0 HG SER A 129 -16.813 -2.996 -45.691 1.00 52.24 H new ATOM 2031 N GLN A 130 -18.597 -7.189 -47.365 1.00 71.11 N ATOM 2032 CA GLN A 130 -19.342 -8.284 -46.755 1.00 3.22 C ATOM 2033 C GLN A 130 -18.453 -9.509 -46.568 1.00 31.13 C ATOM 2034 O GLN A 130 -18.932 -10.641 -46.564 1.00 64.11 O ATOM 2035 CB GLN A 130 -20.554 -8.646 -47.616 1.00 10.31 C ATOM 2036 CG GLN A 130 -20.195 -9.020 -49.045 1.00 61.32 C ATOM 2037 CD GLN A 130 -21.409 -9.095 -49.951 1.00 55.10 C ATOM 2038 OE1 GLN A 130 -22.419 -8.435 -49.710 1.00 44.41 O ATOM 2039 NE2 GLN A 130 -21.314 -9.903 -51.001 1.00 64.24 N ATOM 0 H GLN A 130 -17.722 -7.469 -47.809 1.00 71.11 H new ATOM 0 HA GLN A 130 -19.687 -7.954 -45.775 1.00 3.22 H new ATOM 0 HB2 GLN A 130 -21.082 -9.479 -47.153 1.00 10.31 H new ATOM 0 HB3 GLN A 130 -21.243 -7.801 -47.632 1.00 10.31 H new ATOM 0 HG2 GLN A 130 -19.494 -8.287 -49.443 1.00 61.32 H new ATOM 0 HG3 GLN A 130 -19.685 -9.983 -49.047 1.00 61.32 H new ATOM 0 HE21 GLN A 130 -20.457 -10.432 -51.162 1.00 64.24 H new ATOM 0 HE22 GLN A 130 -22.098 -9.995 -51.646 1.00 64.24 H new ATOM 2048 N ASN A 131 -17.154 -9.273 -46.413 1.00 11.11 N ATOM 2049 CA ASN A 131 -16.197 -10.357 -46.225 1.00 4.04 C ATOM 2050 C ASN A 131 -15.770 -10.460 -44.764 1.00 55.21 C ATOM 2051 O ASN A 131 -15.958 -11.494 -44.123 1.00 61.13 O ATOM 2052 CB ASN A 131 -14.969 -10.142 -47.113 1.00 5.23 C ATOM 2053 CG ASN A 131 -15.308 -10.194 -48.591 1.00 65.11 C ATOM 2054 OD1 ASN A 131 -15.540 -9.163 -49.222 1.00 42.12 O ATOM 2055 ND2 ASN A 131 -15.339 -11.398 -49.148 1.00 63.01 N ATOM 0 H ASN A 131 -16.740 -8.341 -46.414 1.00 11.11 H new ATOM 0 HA ASN A 131 -16.684 -11.290 -46.509 1.00 4.04 H new ATOM 0 HB2 ASN A 131 -14.520 -9.177 -46.880 1.00 5.23 H new ATOM 0 HB3 ASN A 131 -14.223 -10.904 -46.887 1.00 5.23 H new ATOM 0 HD21 ASN A 131 -15.562 -11.496 -50.138 1.00 63.01 H new ATOM 0 HD22 ASN A 131 -15.140 -12.225 -48.586 1.00 63.01 H new ATOM 2062 N TYR A 132 -15.196 -9.381 -44.245 1.00 55.22 N ATOM 2063 CA TYR A 132 -14.740 -9.349 -42.861 1.00 52.35 C ATOM 2064 C TYR A 132 -15.511 -8.306 -42.057 1.00 33.10 C ATOM 2065 O TYR A 132 -15.572 -7.137 -42.435 1.00 75.33 O ATOM 2066 CB TYR A 132 -13.241 -9.049 -42.801 1.00 3.03 C ATOM 2067 CG TYR A 132 -12.374 -10.210 -43.231 1.00 52.15 C ATOM 2068 CD1 TYR A 132 -12.152 -11.289 -42.383 1.00 43.23 C ATOM 2069 CD2 TYR A 132 -11.776 -10.229 -44.484 1.00 34.33 C ATOM 2070 CE1 TYR A 132 -11.360 -12.352 -42.771 1.00 42.02 C ATOM 2071 CE2 TYR A 132 -10.983 -11.289 -44.881 1.00 1.33 C ATOM 2072 CZ TYR A 132 -10.778 -12.347 -44.021 1.00 55.02 C ATOM 2073 OH TYR A 132 -9.989 -13.405 -44.411 1.00 10.24 O ATOM 0 H TYR A 132 -15.035 -8.517 -44.762 1.00 55.22 H new ATOM 0 HA TYR A 132 -14.925 -10.330 -42.423 1.00 52.35 H new ATOM 0 HB2 TYR A 132 -13.025 -8.190 -43.437 1.00 3.03 H new ATOM 0 HB3 TYR A 132 -12.976 -8.766 -41.782 1.00 3.03 H new ATOM 0 HD1 TYR A 132 -12.607 -11.296 -41.403 1.00 43.23 H new ATOM 0 HD2 TYR A 132 -11.933 -9.401 -45.160 1.00 34.33 H new ATOM 0 HE1 TYR A 132 -11.198 -13.182 -42.099 1.00 42.02 H new ATOM 0 HE2 TYR A 132 -10.526 -11.289 -45.860 1.00 1.33 H new ATOM 0 HH TYR A 132 -9.656 -13.247 -45.319 1.00 10.24 H new TER 2083 TYR A 132 HETATM 2084 C1 MYR A 1 0.499 13.353 4.987 1.00 53.24 C HETATM 2085 O1 MYR A 1 -0.397 14.194 4.941 1.00 32.32 O HETATM 2086 C2 MYR A 1 0.486 12.218 3.963 1.00 22.10 C HETATM 2087 C3 MYR A 1 -0.862 11.471 3.850 1.00 22.53 C HETATM 2088 C4 MYR A 1 -0.703 10.082 3.203 1.00 2.11 C HETATM 2089 C5 MYR A 1 -2.014 9.275 3.231 1.00 22.42 C HETATM 2090 C6 MYR A 1 -2.577 9.028 1.818 1.00 51.33 C HETATM 2091 C7 MYR A 1 -3.082 7.584 1.635 1.00 14.24 C HETATM 2092 C8 MYR A 1 -1.956 6.625 1.206 1.00 72.51 C HETATM 2093 C9 MYR A 1 -2.504 5.325 0.588 1.00 35.44 C HETATM 2094 C10 MYR A 1 -1.747 4.076 1.087 1.00 3.01 C HETATM 2095 C11 MYR A 1 -0.566 3.647 0.190 1.00 50.41 C HETATM 2096 C12 MYR A 1 -0.736 2.263 -0.468 1.00 64.41 C HETATM 2097 C13 MYR A 1 0.604 1.671 -0.935 1.00 33.10 C HETATM 2098 C14 MYR A 1 0.598 0.136 -0.887 1.00 14.12 C HETATM 0 H143 MYR A 1 0.416 -0.195 0.135 1.00 14.12 H new HETATM 0 H142 MYR A 1 -0.189 -0.245 -1.538 1.00 14.12 H new HETATM 0 H141 MYR A 1 1.563 -0.242 -1.225 1.00 14.12 H new HETATM 0 H132 MYR A 1 0.812 2.002 -1.952 1.00 33.10 H new HETATM 0 H131 MYR A 1 1.408 2.051 -0.305 1.00 33.10 H new HETATM 0 H122 MYR A 1 -1.205 1.581 0.241 1.00 64.41 H new HETATM 0 H121 MYR A 1 -1.410 2.349 -1.321 1.00 64.41 H new HETATM 0 H112 MYR A 1 -0.430 4.394 -0.592 1.00 50.41 H new HETATM 0 H111 MYR A 1 0.345 3.642 0.788 1.00 50.41 H new HETATM 0 H102 MYR A 1 -1.373 4.270 2.092 1.00 3.01 H new HETATM 0 H101 MYR A 1 -2.450 3.246 1.163 1.00 3.01 H new HETATM 0 H92 MYR A 1 -3.562 5.227 0.831 1.00 35.44 H new HETATM 0 H91 MYR A 1 -2.430 5.382 -0.498 1.00 35.44 H new HETATM 0 H82 MYR A 1 -1.311 7.125 0.484 1.00 72.51 H new HETATM 0 H81 MYR A 1 -1.338 6.382 2.071 1.00 72.51 H new HETATM 0 H72 MYR A 1 -3.520 7.233 2.569 1.00 14.24 H new HETATM 0 H71 MYR A 1 -3.874 7.570 0.886 1.00 14.24 H new HETATM 0 H62 MYR A 1 -3.395 9.723 1.628 1.00 51.33 H new HETATM 0 H61 MYR A 1 -1.803 9.236 1.079 1.00 51.33 H new HETATM 0 H52 MYR A 1 -1.839 8.318 3.723 1.00 22.42 H new HETATM 0 H51 MYR A 1 -2.754 9.809 3.827 1.00 22.42 H new HETATM 0 H42 MYR A 1 -0.372 10.199 2.171 1.00 2.11 H new HETATM 0 H41 MYR A 1 0.075 9.526 3.726 1.00 2.11 H new HETATM 0 H32 MYR A 1 -1.299 11.360 4.843 1.00 22.53 H new HETATM 0 H31 MYR A 1 -1.558 12.067 3.260 1.00 22.53 H new HETATM 0 H22 MYR A 1 0.744 12.625 2.985 1.00 22.10 H new HETATM 0 H21 MYR A 1 1.264 11.500 4.225 1.00 22.10 H new