USER MOD reduce.3.24.130724 H: found=0, std=0, add=1048, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1048 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 127 GLN : amide:sc= 0 X(o=0.12,f=0.12) USER MOD Set 1.2: A 129 SER OG : rot 47:sc= 0.118 USER MOD Set 2.1: A 86 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 90 GLN : amide:sc= -0.626 X(o=-0.63,f=-0.34) USER MOD Set 3.1: A 65 GLN : amide:sc= 0 K(o=-0.84,f=-1.5) USER MOD Set 3.2: A 79 TYR OH : rot 180:sc= -0.845 USER MOD Set 4.1: A 57 CYS SG : rot -110:sc= -0.301 USER MOD Set 4.2: A 89 HIS : +bothHN:sc= -1.03! C(o=-1.3!,f=-7.5!) USER MOD Set 5.1: A 29 TYR OH : rot 148:sc= 0.262 USER MOD Set 5.2: A 97 THR OG1 : rot 45:sc= 0.00914 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= -0.672 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0887) 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= 0.407 K(o=0.41,f=-5.3!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -1.33! C(o=-1.3!,f=-9.4!) USER MOD Single : A 38 SER OG : rot 180:sc= -1.09 USER MOD Single : A 47 ASN : amide:sc= 0 K(o=0,f=-2.4!) USER MOD Single : A 53 THR OG1 : rot -15:sc= 0.467 USER MOD Single : A 54 SER OG : rot 180:sc= -0.483 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 GLN : amide:sc= -0.502 K(o=-0.5,f=-1.5) USER MOD Single : A 67 SER OG : rot 94:sc= 0.327 USER MOD Single : A 69 GLN : amide:sc= -0.0143 X(o=-0.014,f=0) USER MOD Single : A 70 THR OG1 : rot 63:sc= 0.239 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.359 X(o=-0.36,f=-0.35) USER MOD Single : A 81 THR OG1 : rot 73:sc= 1.21 USER MOD Single : A 87 CYS SG : rot 180:sc= -0.355 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.11) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 GLN : amide:sc= -0.0916 K(o=-0.092,f=-0.73) USER MOD Single : A 109 ASN : amide:sc= -0.04 X(o=-0.04,f=-0.2) 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= -0.133 X(o=-0.13,f=0) USER MOD Single : A 117 GLN : amide:sc= 0 X(o=0,f=-0.065) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 ASN : amide:sc= -0.422 K(o=-0.42,f=-2.9!) USER MOD Single : A 125 ASN : amide:sc= -0.144 K(o=-0.14,f=-1.7!) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 130 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 131 ASN : amide:sc= 0 X(o=0,f=-0.053) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 2 14.257 7.240 -11.231 1.00 13.00 N ATOM 2 CA GLY A 2 15.121 7.189 -12.395 1.00 45.03 C ATOM 3 C GLY A 2 16.431 6.478 -12.116 1.00 13.12 C ATOM 4 O GLY A 2 16.654 5.364 -12.590 1.00 12.10 O ATOM 0 HA2 GLY A 2 14.601 6.681 -13.207 1.00 45.03 H new ATOM 0 HA3 GLY A 2 15.327 8.204 -12.735 1.00 45.03 H new ATOM 8 N ALA A 3 17.300 7.123 -11.345 1.00 13.41 N ATOM 9 CA ALA A 3 18.593 6.546 -11.002 1.00 34.10 C ATOM 10 C ALA A 3 18.439 5.423 -9.981 1.00 44.41 C ATOM 11 O ALA A 3 19.318 4.571 -9.846 1.00 2.22 O ATOM 12 CB ALA A 3 19.527 7.622 -10.469 1.00 45.44 C ATOM 0 H ALA A 3 17.131 8.046 -10.946 1.00 13.41 H new ATOM 0 HA ALA A 3 19.026 6.122 -11.908 1.00 34.10 H new ATOM 0 HB1 ALA A 3 20.489 7.176 -10.217 1.00 45.44 H new ATOM 0 HB2 ALA A 3 19.671 8.389 -11.230 1.00 45.44 H new ATOM 0 HB3 ALA A 3 19.091 8.073 -9.577 1.00 45.44 H new ATOM 18 N ARG A 4 17.321 5.429 -9.265 1.00 54.31 N ATOM 19 CA ARG A 4 17.054 4.413 -8.255 1.00 54.31 C ATOM 20 C ARG A 4 15.928 3.485 -8.701 1.00 53.31 C ATOM 21 O ARG A 4 15.379 3.639 -9.792 1.00 20.42 O ATOM 22 CB ARG A 4 16.689 5.070 -6.922 1.00 45.40 C ATOM 23 CG ARG A 4 17.766 4.928 -5.859 1.00 43.44 C ATOM 24 CD ARG A 4 17.388 5.663 -4.582 1.00 2.13 C ATOM 25 NE ARG A 4 18.360 5.440 -3.514 1.00 10.00 N ATOM 26 CZ ARG A 4 19.567 5.995 -3.491 1.00 35.25 C ATOM 27 NH1 ARG A 4 19.948 6.802 -4.471 1.00 13.23 N ATOM 28 NH2 ARG A 4 20.394 5.743 -2.484 1.00 53.40 N ATOM 0 H ARG A 4 16.584 6.127 -9.366 1.00 54.31 H new ATOM 0 HA ARG A 4 17.960 3.821 -8.124 1.00 54.31 H new ATOM 0 HB2 ARG A 4 16.493 6.129 -7.090 1.00 45.40 H new ATOM 0 HB3 ARG A 4 15.764 4.630 -6.551 1.00 45.40 H new ATOM 0 HG2 ARG A 4 17.925 3.872 -5.639 1.00 43.44 H new ATOM 0 HG3 ARG A 4 18.709 5.320 -6.240 1.00 43.44 H new ATOM 0 HD2 ARG A 4 17.313 6.731 -4.787 1.00 2.13 H new ATOM 0 HD3 ARG A 4 16.404 5.332 -4.251 1.00 2.13 H new ATOM 0 HE ARG A 4 18.098 4.825 -2.744 1.00 10.00 H new ATOM 0 HH11 ARG A 4 19.314 6.998 -5.246 1.00 13.23 H new ATOM 0 HH12 ARG A 4 20.875 7.227 -4.451 1.00 13.23 H new ATOM 0 HH21 ARG A 4 20.103 5.123 -1.728 1.00 53.40 H new ATOM 0 HH22 ARG A 4 21.321 6.169 -2.466 1.00 53.40 H new ATOM 42 N ALA A 5 15.588 2.523 -7.850 1.00 63.14 N ATOM 43 CA ALA A 5 14.527 1.571 -8.156 1.00 4.31 C ATOM 44 C ALA A 5 13.199 2.019 -7.554 1.00 32.51 C ATOM 45 O ALA A 5 12.451 1.208 -7.008 1.00 21.45 O ATOM 46 CB ALA A 5 14.899 0.185 -7.650 1.00 11.50 C ATOM 0 H ALA A 5 16.032 2.382 -6.943 1.00 63.14 H new ATOM 0 HA ALA A 5 14.410 1.530 -9.239 1.00 4.31 H new ATOM 0 HB1 ALA A 5 14.098 -0.515 -7.885 1.00 11.50 H new ATOM 0 HB2 ALA A 5 15.820 -0.143 -8.131 1.00 11.50 H new ATOM 0 HB3 ALA A 5 15.046 0.219 -6.570 1.00 11.50 H new ATOM 52 N SER A 6 12.913 3.312 -7.657 1.00 23.34 N ATOM 53 CA SER A 6 11.678 3.868 -7.117 1.00 71.05 C ATOM 54 C SER A 6 10.901 4.613 -8.199 1.00 4.33 C ATOM 55 O SER A 6 11.285 4.613 -9.368 1.00 74.53 O ATOM 56 CB SER A 6 11.983 4.809 -5.951 1.00 10.02 C ATOM 57 OG SER A 6 12.501 4.095 -4.842 1.00 41.22 O ATOM 0 H SER A 6 13.520 3.995 -8.110 1.00 23.34 H new ATOM 0 HA SER A 6 11.064 3.043 -6.755 1.00 71.05 H new ATOM 0 HB2 SER A 6 12.701 5.565 -6.268 1.00 10.02 H new ATOM 0 HB3 SER A 6 11.075 5.335 -5.657 1.00 10.02 H new ATOM 0 HG SER A 6 12.690 4.719 -4.110 1.00 41.22 H new ATOM 63 N VAL A 7 9.805 5.251 -7.797 1.00 23.50 N ATOM 64 CA VAL A 7 8.974 6.002 -8.730 1.00 43.42 C ATOM 65 C VAL A 7 9.504 7.420 -8.919 1.00 74.31 C ATOM 66 O VAL A 7 9.985 7.775 -9.996 1.00 10.22 O ATOM 67 CB VAL A 7 7.512 6.072 -8.247 1.00 41.44 C ATOM 68 CG1 VAL A 7 6.674 6.907 -9.204 1.00 60.11 C ATOM 69 CG2 VAL A 7 6.933 4.674 -8.098 1.00 61.24 C ATOM 0 H VAL A 7 9.473 5.262 -6.833 1.00 23.50 H new ATOM 0 HA VAL A 7 9.010 5.474 -9.683 1.00 43.42 H new ATOM 0 HB VAL A 7 7.492 6.554 -7.269 1.00 41.44 H new ATOM 0 HG11 VAL A 7 5.645 6.946 -8.847 1.00 60.11 H new ATOM 0 HG12 VAL A 7 7.079 7.918 -9.255 1.00 60.11 H new ATOM 0 HG13 VAL A 7 6.698 6.456 -10.196 1.00 60.11 H new ATOM 0 HG21 VAL A 7 5.900 4.742 -7.756 1.00 61.24 H new ATOM 0 HG22 VAL A 7 6.964 4.163 -9.060 1.00 61.24 H new ATOM 0 HG23 VAL A 7 7.519 4.113 -7.370 1.00 61.24 H new ATOM 79 N LEU A 8 9.412 8.224 -7.867 1.00 52.51 N ATOM 80 CA LEU A 8 9.882 9.605 -7.916 1.00 65.50 C ATOM 81 C LEU A 8 11.203 9.756 -7.167 1.00 15.40 C ATOM 82 O LEU A 8 11.366 9.234 -6.065 1.00 13.14 O ATOM 83 CB LEU A 8 8.834 10.544 -7.319 1.00 52.12 C ATOM 84 CG LEU A 8 7.482 10.584 -8.035 1.00 23.20 C ATOM 85 CD1 LEU A 8 6.619 11.707 -7.484 1.00 10.04 C ATOM 86 CD2 LEU A 8 7.678 10.746 -9.535 1.00 45.11 C ATOM 0 H LEU A 8 9.017 7.945 -6.969 1.00 52.51 H new ATOM 0 HA LEU A 8 10.044 9.871 -8.961 1.00 65.50 H new ATOM 0 HB2 LEU A 8 8.665 10.255 -6.282 1.00 52.12 H new ATOM 0 HB3 LEU A 8 9.245 11.553 -7.305 1.00 52.12 H new ATOM 0 HG LEU A 8 6.969 9.639 -7.856 1.00 23.20 H new ATOM 0 HD11 LEU A 8 5.662 11.720 -8.005 1.00 10.04 H new ATOM 0 HD12 LEU A 8 6.450 11.547 -6.419 1.00 10.04 H new ATOM 0 HD13 LEU A 8 7.125 12.661 -7.632 1.00 10.04 H new ATOM 0 HD21 LEU A 8 6.706 10.772 -10.028 1.00 45.11 H new ATOM 0 HD22 LEU A 8 8.211 11.676 -9.734 1.00 45.11 H new ATOM 0 HD23 LEU A 8 8.257 9.906 -9.919 1.00 45.11 H new ATOM 98 N SER A 9 12.142 10.477 -7.773 1.00 14.32 N ATOM 99 CA SER A 9 13.448 10.697 -7.164 1.00 23.24 C ATOM 100 C SER A 9 13.408 11.883 -6.206 1.00 12.44 C ATOM 101 O SER A 9 12.395 12.572 -6.095 1.00 2.23 O ATOM 102 CB SER A 9 14.504 10.935 -8.245 1.00 11.01 C ATOM 103 OG SER A 9 14.644 12.317 -8.525 1.00 51.12 O ATOM 0 H SER A 9 12.022 10.918 -8.685 1.00 14.32 H new ATOM 0 HA SER A 9 13.713 9.804 -6.598 1.00 23.24 H new ATOM 0 HB2 SER A 9 15.461 10.528 -7.919 1.00 11.01 H new ATOM 0 HB3 SER A 9 14.225 10.403 -9.154 1.00 11.01 H new ATOM 0 HG SER A 9 15.326 12.443 -9.218 1.00 51.12 H new ATOM 109 N GLY A 10 14.519 12.116 -5.514 1.00 64.30 N ATOM 110 CA GLY A 10 14.592 13.218 -4.574 1.00 42.52 C ATOM 111 C GLY A 10 14.161 14.535 -5.190 1.00 70.22 C ATOM 112 O GLY A 10 13.407 15.295 -4.583 1.00 63.12 O ATOM 0 H GLY A 10 15.371 11.560 -5.588 1.00 64.30 H new ATOM 0 HA2 GLY A 10 13.961 12.999 -3.713 1.00 42.52 H new ATOM 0 HA3 GLY A 10 15.614 13.310 -4.205 1.00 42.52 H new ATOM 116 N GLY A 11 14.641 14.806 -6.399 1.00 41.42 N ATOM 117 CA GLY A 11 14.290 16.041 -7.076 1.00 44.42 C ATOM 118 C GLY A 11 12.855 16.050 -7.560 1.00 55.41 C ATOM 119 O GLY A 11 12.131 17.026 -7.358 1.00 23.33 O ATOM 0 H GLY A 11 15.266 14.193 -6.922 1.00 41.42 H new ATOM 0 HA2 GLY A 11 14.447 16.880 -6.398 1.00 44.42 H new ATOM 0 HA3 GLY A 11 14.957 16.188 -7.925 1.00 44.42 H new ATOM 123 N GLU A 12 12.440 14.962 -8.201 1.00 61.44 N ATOM 124 CA GLU A 12 11.080 14.851 -8.717 1.00 63.42 C ATOM 125 C GLU A 12 10.060 14.955 -7.587 1.00 20.13 C ATOM 126 O GLU A 12 8.986 15.533 -7.756 1.00 55.25 O ATOM 127 CB GLU A 12 10.900 13.526 -9.461 1.00 22.52 C ATOM 128 CG GLU A 12 12.029 13.212 -10.428 1.00 52.12 C ATOM 129 CD GLU A 12 11.771 11.957 -11.239 1.00 52.30 C ATOM 130 OE1 GLU A 12 11.873 10.851 -10.667 1.00 3.30 O ATOM 131 OE2 GLU A 12 11.467 12.079 -12.444 1.00 2.24 O ATOM 0 H GLU A 12 13.025 14.145 -8.375 1.00 61.44 H new ATOM 0 HA GLU A 12 10.913 15.675 -9.411 1.00 63.42 H new ATOM 0 HB2 GLU A 12 10.821 12.718 -8.733 1.00 22.52 H new ATOM 0 HB3 GLU A 12 9.959 13.553 -10.011 1.00 22.52 H new ATOM 0 HG2 GLU A 12 12.168 14.055 -11.105 1.00 52.12 H new ATOM 0 HG3 GLU A 12 12.958 13.095 -9.870 1.00 52.12 H new ATOM 138 N LEU A 13 10.404 14.391 -6.434 1.00 13.43 N ATOM 139 CA LEU A 13 9.517 14.421 -5.275 1.00 63.14 C ATOM 140 C LEU A 13 9.058 15.843 -4.976 1.00 40.30 C ATOM 141 O LEU A 13 7.875 16.086 -4.730 1.00 44.03 O ATOM 142 CB LEU A 13 10.226 13.834 -4.053 1.00 13.12 C ATOM 143 CG LEU A 13 9.353 13.597 -2.820 1.00 52.45 C ATOM 144 CD1 LEU A 13 8.221 12.634 -3.146 1.00 14.43 C ATOM 145 CD2 LEU A 13 10.191 13.067 -1.666 1.00 22.33 C ATOM 0 H LEU A 13 11.289 13.908 -6.277 1.00 13.43 H new ATOM 0 HA LEU A 13 8.639 13.818 -5.504 1.00 63.14 H new ATOM 0 HB2 LEU A 13 10.678 12.885 -4.341 1.00 13.12 H new ATOM 0 HB3 LEU A 13 11.040 14.503 -3.774 1.00 13.12 H new ATOM 0 HG LEU A 13 8.918 14.550 -2.518 1.00 52.45 H new ATOM 0 HD11 LEU A 13 7.610 12.477 -2.257 1.00 14.43 H new ATOM 0 HD12 LEU A 13 7.604 13.053 -3.941 1.00 14.43 H new ATOM 0 HD13 LEU A 13 8.637 11.681 -3.474 1.00 14.43 H new ATOM 0 HD21 LEU A 13 9.553 12.904 -0.797 1.00 22.33 H new ATOM 0 HD22 LEU A 13 10.656 12.125 -1.956 1.00 22.33 H new ATOM 0 HD23 LEU A 13 10.966 13.792 -1.416 1.00 22.33 H new ATOM 157 N ASP A 14 9.998 16.782 -5.003 1.00 22.04 N ATOM 158 CA ASP A 14 9.689 18.182 -4.738 1.00 0.13 C ATOM 159 C ASP A 14 8.513 18.649 -5.590 1.00 0.10 C ATOM 160 O ASP A 14 7.550 19.222 -5.079 1.00 4.13 O ATOM 161 CB ASP A 14 10.913 19.057 -5.012 1.00 54.12 C ATOM 162 CG ASP A 14 11.635 19.457 -3.741 1.00 2.21 C ATOM 163 OD1 ASP A 14 12.472 18.666 -3.259 1.00 73.21 O ATOM 164 OD2 ASP A 14 11.364 20.563 -3.228 1.00 32.03 O ATOM 0 H ASP A 14 10.981 16.598 -5.206 1.00 22.04 H new ATOM 0 HA ASP A 14 9.413 18.276 -3.688 1.00 0.13 H new ATOM 0 HB2 ASP A 14 11.602 18.519 -5.664 1.00 54.12 H new ATOM 0 HB3 ASP A 14 10.602 19.954 -5.547 1.00 54.12 H new ATOM 169 N LYS A 15 8.597 18.402 -6.893 1.00 3.11 N ATOM 170 CA LYS A 15 7.541 18.796 -7.817 1.00 0.34 C ATOM 171 C LYS A 15 6.215 18.145 -7.437 1.00 51.54 C ATOM 172 O LYS A 15 5.199 18.825 -7.290 1.00 61.34 O ATOM 173 CB LYS A 15 7.919 18.413 -9.249 1.00 52.12 C ATOM 174 CG LYS A 15 8.353 19.594 -10.101 1.00 72.41 C ATOM 175 CD LYS A 15 9.856 19.595 -10.327 1.00 74.11 C ATOM 176 CE LYS A 15 10.592 20.254 -9.172 1.00 41.20 C ATOM 177 NZ LYS A 15 12.071 20.144 -9.322 1.00 14.34 N ATOM 0 H LYS A 15 9.387 17.930 -7.333 1.00 3.11 H new ATOM 0 HA LYS A 15 7.424 19.878 -7.757 1.00 0.34 H new ATOM 0 HB2 LYS A 15 8.726 17.681 -9.219 1.00 52.12 H new ATOM 0 HB3 LYS A 15 7.066 17.928 -9.723 1.00 52.12 H new ATOM 0 HG2 LYS A 15 7.840 19.559 -11.062 1.00 72.41 H new ATOM 0 HG3 LYS A 15 8.056 20.523 -9.615 1.00 72.41 H new ATOM 0 HD2 LYS A 15 10.208 18.570 -10.447 1.00 74.11 H new ATOM 0 HD3 LYS A 15 10.085 20.121 -11.254 1.00 74.11 H new ATOM 0 HE2 LYS A 15 10.310 21.305 -9.114 1.00 41.20 H new ATOM 0 HE3 LYS A 15 10.286 19.790 -8.234 1.00 41.20 H new ATOM 0 HZ1 LYS A 15 12.537 20.605 -8.515 1.00 14.34 H new ATOM 0 HZ2 LYS A 15 12.343 19.141 -9.352 1.00 14.34 H new ATOM 0 HZ3 LYS A 15 12.366 20.609 -10.204 1.00 14.34 H new ATOM 191 N TRP A 16 6.233 16.827 -7.281 1.00 74.34 N ATOM 192 CA TRP A 16 5.031 16.084 -6.918 1.00 10.25 C ATOM 193 C TRP A 16 4.329 16.734 -5.730 1.00 34.21 C ATOM 194 O TRP A 16 3.167 17.128 -5.826 1.00 22.13 O ATOM 195 CB TRP A 16 5.384 14.634 -6.586 1.00 74.20 C ATOM 196 CG TRP A 16 4.189 13.791 -6.257 1.00 54.04 C ATOM 197 CD1 TRP A 16 3.796 13.374 -5.018 1.00 75.33 C ATOM 198 CD2 TRP A 16 3.231 13.264 -7.182 1.00 63.34 C ATOM 199 NE1 TRP A 16 2.652 12.618 -5.116 1.00 45.14 N ATOM 200 CE2 TRP A 16 2.286 12.536 -6.434 1.00 51.52 C ATOM 201 CE3 TRP A 16 3.081 13.336 -8.570 1.00 11.45 C ATOM 202 CZ2 TRP A 16 1.207 11.887 -7.028 1.00 72.14 C ATOM 203 CZ3 TRP A 16 2.009 12.690 -9.158 1.00 43.44 C ATOM 204 CH2 TRP A 16 1.083 11.974 -8.388 1.00 42.33 C ATOM 0 H TRP A 16 7.066 16.250 -7.400 1.00 74.34 H new ATOM 0 HA TRP A 16 4.352 16.099 -7.771 1.00 10.25 H new ATOM 0 HB2 TRP A 16 5.909 14.192 -7.433 1.00 74.20 H new ATOM 0 HB3 TRP A 16 6.073 14.620 -5.742 1.00 74.20 H new ATOM 0 HD1 TRP A 16 4.309 13.604 -4.096 1.00 75.33 H new ATOM 0 HE1 TRP A 16 2.156 12.188 -4.335 1.00 45.14 H new ATOM 0 HE3 TRP A 16 3.789 13.886 -9.172 1.00 11.45 H new ATOM 0 HZ2 TRP A 16 0.493 11.334 -6.436 1.00 72.14 H new ATOM 0 HZ3 TRP A 16 1.883 12.738 -10.230 1.00 43.44 H new ATOM 0 HH2 TRP A 16 0.256 11.481 -8.877 1.00 42.33 H new ATOM 215 N GLU A 17 5.041 16.841 -4.613 1.00 74.11 N ATOM 216 CA GLU A 17 4.484 17.443 -3.408 1.00 33.52 C ATOM 217 C GLU A 17 4.000 18.864 -3.681 1.00 71.45 C ATOM 218 O GLU A 17 3.151 19.393 -2.964 1.00 74.13 O ATOM 219 CB GLU A 17 5.526 17.455 -2.287 1.00 74.05 C ATOM 220 CG GLU A 17 5.807 16.080 -1.702 1.00 51.34 C ATOM 221 CD GLU A 17 6.566 16.148 -0.392 1.00 12.44 C ATOM 222 OE1 GLU A 17 7.114 17.225 -0.078 1.00 41.01 O ATOM 223 OE2 GLU A 17 6.611 15.124 0.321 1.00 72.23 O ATOM 0 H GLU A 17 6.004 16.519 -4.518 1.00 74.11 H new ATOM 0 HA GLU A 17 3.631 16.841 -3.095 1.00 33.52 H new ATOM 0 HB2 GLU A 17 6.456 17.874 -2.671 1.00 74.05 H new ATOM 0 HB3 GLU A 17 5.183 18.116 -1.491 1.00 74.05 H new ATOM 0 HG2 GLU A 17 4.864 15.557 -1.544 1.00 51.34 H new ATOM 0 HG3 GLU A 17 6.381 15.494 -2.420 1.00 51.34 H new ATOM 230 N LYS A 18 4.547 19.477 -4.725 1.00 51.54 N ATOM 231 CA LYS A 18 4.172 20.836 -5.097 1.00 43.45 C ATOM 232 C LYS A 18 2.768 20.871 -5.693 1.00 23.24 C ATOM 233 O LYS A 18 1.831 21.367 -5.066 1.00 62.53 O ATOM 234 CB LYS A 18 5.177 21.407 -6.101 1.00 72.12 C ATOM 235 CG LYS A 18 5.241 22.925 -6.101 1.00 64.45 C ATOM 236 CD LYS A 18 6.585 23.426 -6.605 1.00 30.44 C ATOM 237 CE LYS A 18 7.477 23.876 -5.457 1.00 54.54 C ATOM 238 NZ LYS A 18 7.672 22.797 -4.450 1.00 13.43 N ATOM 0 H LYS A 18 5.252 19.054 -5.329 1.00 51.54 H new ATOM 0 HA LYS A 18 4.180 21.447 -4.195 1.00 43.45 H new ATOM 0 HB2 LYS A 18 6.167 21.010 -5.877 1.00 72.12 H new ATOM 0 HB3 LYS A 18 4.914 21.063 -7.101 1.00 72.12 H new ATOM 0 HG2 LYS A 18 4.444 23.324 -6.729 1.00 64.45 H new ATOM 0 HG3 LYS A 18 5.068 23.298 -5.091 1.00 64.45 H new ATOM 0 HD2 LYS A 18 7.083 22.635 -7.166 1.00 30.44 H new ATOM 0 HD3 LYS A 18 6.430 24.256 -7.294 1.00 30.44 H new ATOM 0 HE2 LYS A 18 8.446 24.186 -5.850 1.00 54.54 H new ATOM 0 HE3 LYS A 18 7.035 24.748 -4.974 1.00 54.54 H new ATOM 0 HZ1 LYS A 18 8.425 23.072 -3.788 1.00 13.43 H new ATOM 0 HZ2 LYS A 18 6.787 22.648 -3.925 1.00 13.43 H new ATOM 0 HZ3 LYS A 18 7.940 21.916 -4.933 1.00 13.43 H new ATOM 252 N ILE A 19 2.631 20.340 -6.903 1.00 14.41 N ATOM 253 CA ILE A 19 1.340 20.308 -7.579 1.00 54.21 C ATOM 254 C ILE A 19 0.219 19.948 -6.610 1.00 24.41 C ATOM 255 O ILE A 19 0.409 19.144 -5.697 1.00 70.21 O ATOM 256 CB ILE A 19 1.339 19.301 -8.744 1.00 73.42 C ATOM 257 CG1 ILE A 19 2.446 19.642 -9.744 1.00 20.14 C ATOM 258 CG2 ILE A 19 -0.018 19.287 -9.432 1.00 63.11 C ATOM 259 CD1 ILE A 19 3.238 18.439 -10.205 1.00 34.43 C ATOM 0 H ILE A 19 3.397 19.927 -7.435 1.00 14.41 H new ATOM 0 HA ILE A 19 1.167 21.309 -7.974 1.00 54.21 H new ATOM 0 HB ILE A 19 1.532 18.306 -8.343 1.00 73.42 H new ATOM 0 HG12 ILE A 19 2.002 20.129 -10.612 1.00 20.14 H new ATOM 0 HG13 ILE A 19 3.126 20.362 -9.289 1.00 20.14 H new ATOM 0 HG21 ILE A 19 -0.002 18.570 -10.253 1.00 63.11 H new ATOM 0 HG22 ILE A 19 -0.787 19.000 -8.715 1.00 63.11 H new ATOM 0 HG23 ILE A 19 -0.238 20.281 -9.822 1.00 63.11 H new ATOM 0 HD11 ILE A 19 4.004 18.757 -10.912 1.00 34.43 H new ATOM 0 HD12 ILE A 19 3.711 17.964 -9.346 1.00 34.43 H new ATOM 0 HD13 ILE A 19 2.570 17.728 -10.690 1.00 34.43 H new ATOM 271 N ARG A 20 -0.950 20.547 -6.815 1.00 63.13 N ATOM 272 CA ARG A 20 -2.102 20.289 -5.960 1.00 64.02 C ATOM 273 C ARG A 20 -3.205 19.576 -6.735 1.00 62.33 C ATOM 274 O ARG A 20 -3.180 19.522 -7.965 1.00 22.01 O ATOM 275 CB ARG A 20 -2.636 21.599 -5.379 1.00 32.13 C ATOM 276 CG ARG A 20 -1.728 22.214 -4.326 1.00 14.32 C ATOM 277 CD ARG A 20 -2.060 23.680 -4.092 1.00 62.11 C ATOM 278 NE ARG A 20 -1.506 24.171 -2.832 1.00 75.13 N ATOM 279 CZ ARG A 20 -1.587 25.437 -2.440 1.00 33.03 C ATOM 280 NH1 ARG A 20 -2.194 26.335 -3.204 1.00 33.33 N ATOM 281 NH2 ARG A 20 -1.060 25.808 -1.279 1.00 73.14 N ATOM 0 H ARG A 20 -1.124 21.215 -7.566 1.00 63.13 H new ATOM 0 HA ARG A 20 -1.780 19.643 -5.144 1.00 64.02 H new ATOM 0 HB2 ARG A 20 -2.776 22.315 -6.189 1.00 32.13 H new ATOM 0 HB3 ARG A 20 -3.617 21.418 -4.940 1.00 32.13 H new ATOM 0 HG2 ARG A 20 -1.828 21.663 -3.391 1.00 14.32 H new ATOM 0 HG3 ARG A 20 -0.689 22.121 -4.641 1.00 14.32 H new ATOM 0 HD2 ARG A 20 -1.670 24.276 -4.917 1.00 62.11 H new ATOM 0 HD3 ARG A 20 -3.142 23.811 -4.088 1.00 62.11 H new ATOM 0 HE ARG A 20 -1.032 23.506 -2.221 1.00 75.13 H new ATOM 0 HH11 ARG A 20 -2.601 26.054 -4.096 1.00 33.33 H new ATOM 0 HH12 ARG A 20 -2.254 27.307 -2.899 1.00 33.33 H new ATOM 0 HH21 ARG A 20 -0.593 25.120 -0.688 1.00 73.14 H new ATOM 0 HH22 ARG A 20 -1.122 26.781 -0.978 1.00 73.14 H new ATOM 295 N LEU A 21 -4.173 19.028 -6.007 1.00 45.13 N ATOM 296 CA LEU A 21 -5.287 18.318 -6.626 1.00 25.20 C ATOM 297 C LEU A 21 -6.242 19.291 -7.307 1.00 50.54 C ATOM 298 O LEU A 21 -6.715 19.039 -8.416 1.00 41.23 O ATOM 299 CB LEU A 21 -6.038 17.496 -5.578 1.00 30.20 C ATOM 300 CG LEU A 21 -5.178 16.614 -4.672 1.00 4.43 C ATOM 301 CD1 LEU A 21 -5.912 16.303 -3.377 1.00 22.10 C ATOM 302 CD2 LEU A 21 -4.790 15.330 -5.390 1.00 42.32 C ATOM 0 H LEU A 21 -4.209 19.062 -4.988 1.00 45.13 H new ATOM 0 HA LEU A 21 -4.882 17.647 -7.383 1.00 25.20 H new ATOM 0 HB2 LEU A 21 -6.608 18.180 -4.950 1.00 30.20 H new ATOM 0 HB3 LEU A 21 -6.758 16.860 -6.092 1.00 30.20 H new ATOM 0 HG LEU A 21 -4.266 17.158 -4.426 1.00 4.43 H new ATOM 0 HD11 LEU A 21 -5.285 15.674 -2.745 1.00 22.10 H new ATOM 0 HD12 LEU A 21 -6.138 17.233 -2.854 1.00 22.10 H new ATOM 0 HD13 LEU A 21 -6.841 15.779 -3.602 1.00 22.10 H new ATOM 0 HD21 LEU A 21 -4.178 14.715 -4.730 1.00 42.32 H new ATOM 0 HD22 LEU A 21 -5.690 14.781 -5.666 1.00 42.32 H new ATOM 0 HD23 LEU A 21 -4.223 15.573 -6.289 1.00 42.32 H new ATOM 314 N ARG A 22 -6.521 20.405 -6.639 1.00 31.14 N ATOM 315 CA ARG A 22 -7.420 21.417 -7.180 1.00 14.04 C ATOM 316 C ARG A 22 -6.660 22.699 -7.509 1.00 32.10 C ATOM 317 O ARG A 22 -5.617 22.998 -6.927 1.00 41.15 O ATOM 318 CB ARG A 22 -8.543 21.717 -6.185 1.00 51.42 C ATOM 319 CG ARG A 22 -9.834 20.974 -6.482 1.00 75.22 C ATOM 320 CD ARG A 22 -10.673 20.789 -5.226 1.00 65.23 C ATOM 321 NE ARG A 22 -11.201 19.432 -5.117 1.00 13.33 N ATOM 322 CZ ARG A 22 -12.258 18.999 -5.795 1.00 25.55 C ATOM 323 NH1 ARG A 22 -12.894 19.810 -6.627 1.00 34.14 N ATOM 324 NH2 ARG A 22 -12.680 17.750 -5.641 1.00 23.30 N ATOM 0 H ARG A 22 -6.137 20.630 -5.721 1.00 31.14 H new ATOM 0 HA ARG A 22 -7.855 21.027 -8.100 1.00 14.04 H new ATOM 0 HB2 ARG A 22 -8.207 21.457 -5.181 1.00 51.42 H new ATOM 0 HB3 ARG A 22 -8.742 22.789 -6.187 1.00 51.42 H new ATOM 0 HG2 ARG A 22 -10.409 21.525 -7.227 1.00 75.22 H new ATOM 0 HG3 ARG A 22 -9.603 20.000 -6.913 1.00 75.22 H new ATOM 0 HD2 ARG A 22 -10.067 21.014 -4.348 1.00 65.23 H new ATOM 0 HD3 ARG A 22 -11.499 21.500 -5.234 1.00 65.23 H new ATOM 0 HE ARG A 22 -10.733 18.781 -4.486 1.00 13.33 H new ATOM 0 HH11 ARG A 22 -12.572 20.770 -6.749 1.00 34.14 H new ATOM 0 HH12 ARG A 22 -13.705 19.474 -7.146 1.00 34.14 H new ATOM 0 HH21 ARG A 22 -12.193 17.122 -5.002 1.00 23.30 H new ATOM 0 HH22 ARG A 22 -13.492 17.418 -6.162 1.00 23.30 H new ATOM 338 N PRO A 23 -7.194 23.475 -8.463 1.00 65.33 N ATOM 339 CA PRO A 23 -6.583 24.737 -8.891 1.00 44.32 C ATOM 340 C PRO A 23 -6.678 25.819 -7.821 1.00 12.12 C ATOM 341 O PRO A 23 -5.758 26.616 -7.647 1.00 2.43 O ATOM 342 CB PRO A 23 -7.403 25.129 -10.123 1.00 2.41 C ATOM 343 CG PRO A 23 -8.723 24.465 -9.926 1.00 44.43 C ATOM 344 CD PRO A 23 -8.435 23.181 -9.199 1.00 51.13 C ATOM 0 HA PRO A 23 -5.517 24.627 -9.090 1.00 44.32 H new ATOM 0 HB2 PRO A 23 -7.511 26.211 -10.199 1.00 2.41 H new ATOM 0 HB3 PRO A 23 -6.923 24.792 -11.042 1.00 2.41 H new ATOM 0 HG2 PRO A 23 -9.396 25.098 -9.348 1.00 44.43 H new ATOM 0 HG3 PRO A 23 -9.209 24.272 -10.882 1.00 44.43 H new ATOM 0 HD2 PRO A 23 -9.247 22.910 -8.525 1.00 51.13 H new ATOM 0 HD3 PRO A 23 -8.304 22.349 -9.890 1.00 51.13 H new ATOM 352 N GLY A 24 -7.799 25.841 -7.106 1.00 30.42 N ATOM 353 CA GLY A 24 -7.993 26.830 -6.061 1.00 74.14 C ATOM 354 C GLY A 24 -8.110 26.204 -4.685 1.00 52.53 C ATOM 355 O GLY A 24 -8.932 26.624 -3.873 1.00 33.10 O ATOM 0 H GLY A 24 -8.576 25.192 -7.232 1.00 30.42 H new ATOM 0 HA2 GLY A 24 -7.158 27.530 -6.068 1.00 74.14 H new ATOM 0 HA3 GLY A 24 -8.894 27.406 -6.273 1.00 74.14 H new ATOM 359 N GLY A 25 -7.284 25.196 -4.424 1.00 33.44 N ATOM 360 CA GLY A 25 -7.316 24.526 -3.137 1.00 22.23 C ATOM 361 C GLY A 25 -6.019 24.686 -2.368 1.00 62.14 C ATOM 362 O GLY A 25 -5.074 25.310 -2.851 1.00 54.14 O ATOM 0 H GLY A 25 -6.594 24.831 -5.080 1.00 33.44 H new ATOM 0 HA2 GLY A 25 -8.138 24.925 -2.543 1.00 22.23 H new ATOM 0 HA3 GLY A 25 -7.517 23.465 -3.288 1.00 22.23 H new ATOM 366 N LYS A 26 -5.972 24.122 -1.166 1.00 22.33 N ATOM 367 CA LYS A 26 -4.782 24.204 -0.328 1.00 33.34 C ATOM 368 C LYS A 26 -4.179 22.821 -0.102 1.00 44.30 C ATOM 369 O LYS A 26 -3.218 22.668 0.652 1.00 24.33 O ATOM 370 CB LYS A 26 -5.125 24.848 1.018 1.00 32.23 C ATOM 371 CG LYS A 26 -4.018 25.730 1.570 1.00 74.54 C ATOM 372 CD LYS A 26 -4.558 27.064 2.054 1.00 1.45 C ATOM 373 CE LYS A 26 -4.800 27.056 3.556 1.00 65.12 C ATOM 374 NZ LYS A 26 -5.399 28.334 4.028 1.00 1.23 N ATOM 0 H LYS A 26 -6.745 23.603 -0.750 1.00 22.33 H new ATOM 0 HA LYS A 26 -4.047 24.822 -0.844 1.00 33.34 H new ATOM 0 HB2 LYS A 26 -6.031 25.444 0.906 1.00 32.23 H new ATOM 0 HB3 LYS A 26 -5.347 24.063 1.741 1.00 32.23 H new ATOM 0 HG2 LYS A 26 -3.520 25.218 2.393 1.00 74.54 H new ATOM 0 HG3 LYS A 26 -3.267 25.899 0.798 1.00 74.54 H new ATOM 0 HD2 LYS A 26 -3.853 27.856 1.802 1.00 1.45 H new ATOM 0 HD3 LYS A 26 -5.490 27.290 1.536 1.00 1.45 H new ATOM 0 HE2 LYS A 26 -5.461 26.228 3.813 1.00 65.12 H new ATOM 0 HE3 LYS A 26 -3.857 26.883 4.075 1.00 65.12 H new ATOM 0 HZ1 LYS A 26 -5.548 28.289 5.056 1.00 1.23 H new ATOM 0 HZ2 LYS A 26 -4.757 29.121 3.806 1.00 1.23 H new ATOM 0 HZ3 LYS A 26 -6.311 28.487 3.552 1.00 1.23 H new ATOM 388 N LYS A 27 -4.746 21.818 -0.763 1.00 14.11 N ATOM 389 CA LYS A 27 -4.263 20.448 -0.638 1.00 11.33 C ATOM 390 C LYS A 27 -3.288 20.110 -1.762 1.00 32.04 C ATOM 391 O LYS A 27 -3.608 20.269 -2.940 1.00 22.13 O ATOM 392 CB LYS A 27 -5.438 19.468 -0.654 1.00 63.12 C ATOM 393 CG LYS A 27 -5.774 18.898 0.713 1.00 3.32 C ATOM 394 CD LYS A 27 -6.060 17.408 0.641 1.00 21.11 C ATOM 395 CE LYS A 27 -6.167 16.794 2.029 1.00 33.04 C ATOM 396 NZ LYS A 27 -7.339 15.883 2.142 1.00 33.54 N ATOM 0 H LYS A 27 -5.542 21.928 -1.392 1.00 14.11 H new ATOM 0 HA LYS A 27 -3.738 20.359 0.313 1.00 11.33 H new ATOM 0 HB2 LYS A 27 -6.317 19.974 -1.053 1.00 63.12 H new ATOM 0 HB3 LYS A 27 -5.207 18.648 -1.333 1.00 63.12 H new ATOM 0 HG2 LYS A 27 -4.944 19.077 1.397 1.00 3.32 H new ATOM 0 HG3 LYS A 27 -6.642 19.417 1.121 1.00 3.32 H new ATOM 0 HD2 LYS A 27 -6.988 17.240 0.095 1.00 21.11 H new ATOM 0 HD3 LYS A 27 -5.267 16.911 0.082 1.00 21.11 H new ATOM 0 HE2 LYS A 27 -5.254 16.242 2.253 1.00 33.04 H new ATOM 0 HE3 LYS A 27 -6.250 17.587 2.772 1.00 33.04 H new ATOM 0 HZ1 LYS A 27 -7.378 15.485 3.102 1.00 33.54 H new ATOM 0 HZ2 LYS A 27 -8.212 16.415 1.953 1.00 33.54 H new ATOM 0 HZ3 LYS A 27 -7.247 15.112 1.450 1.00 33.54 H new ATOM 410 N GLN A 28 -2.101 19.644 -1.390 1.00 23.24 N ATOM 411 CA GLN A 28 -1.082 19.283 -2.368 1.00 21.44 C ATOM 412 C GLN A 28 -1.037 17.772 -2.575 1.00 13.42 C ATOM 413 O GLN A 28 -1.753 17.023 -1.910 1.00 63.04 O ATOM 414 CB GLN A 28 0.290 19.788 -1.916 1.00 51.34 C ATOM 415 CG GLN A 28 0.249 21.165 -1.272 1.00 71.22 C ATOM 416 CD GLN A 28 0.268 21.100 0.242 1.00 1.32 C ATOM 417 OE1 GLN A 28 -0.615 20.507 0.861 1.00 13.24 O ATOM 418 NE2 GLN A 28 1.278 21.714 0.849 1.00 63.13 N ATOM 0 H GLN A 28 -1.821 19.507 -0.419 1.00 23.24 H new ATOM 0 HA GLN A 28 -1.341 19.754 -3.316 1.00 21.44 H new ATOM 0 HB2 GLN A 28 0.714 19.077 -1.207 1.00 51.34 H new ATOM 0 HB3 GLN A 28 0.959 19.818 -2.776 1.00 51.34 H new ATOM 0 HG2 GLN A 28 1.102 21.749 -1.618 1.00 71.22 H new ATOM 0 HG3 GLN A 28 -0.650 21.688 -1.598 1.00 71.22 H new ATOM 0 HE21 GLN A 28 1.989 22.194 0.297 1.00 63.13 H new ATOM 0 HE22 GLN A 28 1.342 21.705 1.867 1.00 63.13 H new ATOM 427 N TYR A 29 -0.193 17.332 -3.501 1.00 42.33 N ATOM 428 CA TYR A 29 -0.057 15.912 -3.799 1.00 62.35 C ATOM 429 C TYR A 29 0.837 15.224 -2.772 1.00 74.40 C ATOM 430 O TYR A 29 1.792 15.814 -2.267 1.00 31.52 O ATOM 431 CB TYR A 29 0.516 15.716 -5.204 1.00 24.30 C ATOM 432 CG TYR A 29 -0.536 15.438 -6.253 1.00 62.25 C ATOM 433 CD1 TYR A 29 -1.240 14.240 -6.260 1.00 3.12 C ATOM 434 CD2 TYR A 29 -0.825 16.373 -7.240 1.00 34.14 C ATOM 435 CE1 TYR A 29 -2.202 13.982 -7.217 1.00 32.53 C ATOM 436 CE2 TYR A 29 -1.786 16.123 -8.201 1.00 32.41 C ATOM 437 CZ TYR A 29 -2.471 14.926 -8.185 1.00 13.31 C ATOM 438 OH TYR A 29 -3.429 14.673 -9.141 1.00 42.23 O ATOM 0 H TYR A 29 0.408 17.939 -4.059 1.00 42.33 H new ATOM 0 HA TYR A 29 -1.048 15.460 -3.753 1.00 62.35 H new ATOM 0 HB2 TYR A 29 1.073 16.609 -5.488 1.00 24.30 H new ATOM 0 HB3 TYR A 29 1.226 14.889 -5.186 1.00 24.30 H new ATOM 0 HD1 TYR A 29 -1.031 13.498 -5.504 1.00 3.12 H new ATOM 0 HD2 TYR A 29 -0.289 17.311 -7.256 1.00 34.14 H new ATOM 0 HE1 TYR A 29 -2.740 13.046 -7.207 1.00 32.53 H new ATOM 0 HE2 TYR A 29 -1.999 16.861 -8.960 1.00 32.41 H new ATOM 0 HH TYR A 29 -3.862 15.513 -9.400 1.00 42.23 H new ATOM 448 N LYS A 30 0.521 13.969 -2.469 1.00 34.44 N ATOM 449 CA LYS A 30 1.295 13.196 -1.504 1.00 14.23 C ATOM 450 C LYS A 30 1.444 11.749 -1.962 1.00 20.33 C ATOM 451 O LYS A 30 0.794 11.317 -2.914 1.00 51.42 O ATOM 452 CB LYS A 30 0.625 13.241 -0.129 1.00 15.24 C ATOM 453 CG LYS A 30 1.467 13.919 0.937 1.00 62.25 C ATOM 454 CD LYS A 30 1.202 15.414 0.990 1.00 54.50 C ATOM 455 CE LYS A 30 1.186 15.927 2.422 1.00 62.21 C ATOM 456 NZ LYS A 30 0.798 17.363 2.494 1.00 53.12 N ATOM 0 H LYS A 30 -0.266 13.465 -2.878 1.00 34.44 H new ATOM 0 HA LYS A 30 2.288 13.640 -1.432 1.00 14.23 H new ATOM 0 HB2 LYS A 30 -0.327 13.765 -0.215 1.00 15.24 H new ATOM 0 HB3 LYS A 30 0.401 12.223 0.190 1.00 15.24 H new ATOM 0 HG2 LYS A 30 1.251 13.476 1.909 1.00 62.25 H new ATOM 0 HG3 LYS A 30 2.523 13.743 0.734 1.00 62.25 H new ATOM 0 HD2 LYS A 30 1.969 15.941 0.422 1.00 54.50 H new ATOM 0 HD3 LYS A 30 0.246 15.632 0.514 1.00 54.50 H new ATOM 0 HE2 LYS A 30 0.489 15.333 3.013 1.00 62.21 H new ATOM 0 HE3 LYS A 30 2.173 15.795 2.866 1.00 62.21 H new ATOM 0 HZ1 LYS A 30 0.799 17.674 3.487 1.00 53.12 H new ATOM 0 HZ2 LYS A 30 1.477 17.934 1.952 1.00 53.12 H new ATOM 0 HZ3 LYS A 30 -0.154 17.486 2.094 1.00 53.12 H new ATOM 470 N LEU A 31 2.303 11.003 -1.276 1.00 32.11 N ATOM 471 CA LEU A 31 2.537 9.602 -1.610 1.00 64.21 C ATOM 472 C LEU A 31 1.221 8.834 -1.693 1.00 3.42 C ATOM 473 O LEU A 31 1.037 7.989 -2.568 1.00 71.44 O ATOM 474 CB LEU A 31 3.454 8.955 -0.571 1.00 63.11 C ATOM 475 CG LEU A 31 4.848 8.558 -1.060 1.00 71.12 C ATOM 476 CD1 LEU A 31 5.720 9.791 -1.244 1.00 71.45 C ATOM 477 CD2 LEU A 31 5.497 7.583 -0.088 1.00 14.50 C ATOM 0 H LEU A 31 2.849 11.345 -0.485 1.00 32.11 H new ATOM 0 HA LEU A 31 3.021 9.563 -2.586 1.00 64.21 H new ATOM 0 HB2 LEU A 31 3.567 9.646 0.265 1.00 63.11 H new ATOM 0 HB3 LEU A 31 2.959 8.064 -0.184 1.00 63.11 H new ATOM 0 HG LEU A 31 4.746 8.063 -2.026 1.00 71.12 H new ATOM 0 HD11 LEU A 31 6.708 9.489 -1.592 1.00 71.45 H new ATOM 0 HD12 LEU A 31 5.263 10.454 -1.979 1.00 71.45 H new ATOM 0 HD13 LEU A 31 5.815 10.315 -0.293 1.00 71.45 H new ATOM 0 HD21 LEU A 31 6.488 7.312 -0.452 1.00 14.50 H new ATOM 0 HD22 LEU A 31 5.586 8.052 0.892 1.00 14.50 H new ATOM 0 HD23 LEU A 31 4.882 6.687 -0.007 1.00 14.50 H new ATOM 489 N LYS A 32 0.308 9.136 -0.776 1.00 41.43 N ATOM 490 CA LYS A 32 -0.993 8.479 -0.746 1.00 62.01 C ATOM 491 C LYS A 32 -1.598 8.405 -2.144 1.00 24.14 C ATOM 492 O LYS A 32 -2.318 7.461 -2.471 1.00 32.13 O ATOM 493 CB LYS A 32 -1.942 9.225 0.195 1.00 70.12 C ATOM 494 CG LYS A 32 -1.940 8.685 1.615 1.00 51.22 C ATOM 495 CD LYS A 32 -2.469 9.712 2.602 1.00 53.25 C ATOM 496 CE LYS A 32 -3.577 9.134 3.468 1.00 51.10 C ATOM 497 NZ LYS A 32 -3.035 8.354 4.614 1.00 31.04 N ATOM 0 H LYS A 32 0.445 9.832 -0.043 1.00 41.43 H new ATOM 0 HA LYS A 32 -0.851 7.463 -0.378 1.00 62.01 H new ATOM 0 HB2 LYS A 32 -1.665 10.279 0.216 1.00 70.12 H new ATOM 0 HB3 LYS A 32 -2.955 9.169 -0.205 1.00 70.12 H new ATOM 0 HG2 LYS A 32 -2.551 7.784 1.664 1.00 51.22 H new ATOM 0 HG3 LYS A 32 -0.926 8.398 1.895 1.00 51.22 H new ATOM 0 HD2 LYS A 32 -1.655 10.061 3.237 1.00 53.25 H new ATOM 0 HD3 LYS A 32 -2.845 10.579 2.060 1.00 53.25 H new ATOM 0 HE2 LYS A 32 -4.204 9.943 3.843 1.00 51.10 H new ATOM 0 HE3 LYS A 32 -4.215 8.492 2.861 1.00 51.10 H new ATOM 0 HZ1 LYS A 32 -3.822 7.977 5.180 1.00 31.04 H new ATOM 0 HZ2 LYS A 32 -2.457 7.567 4.256 1.00 31.04 H new ATOM 0 HZ3 LYS A 32 -2.447 8.973 5.208 1.00 31.04 H new ATOM 511 N HIS A 33 -1.300 9.407 -2.966 1.00 60.54 N ATOM 512 CA HIS A 33 -1.813 9.453 -4.331 1.00 54.40 C ATOM 513 C HIS A 33 -1.045 8.492 -5.234 1.00 35.33 C ATOM 514 O HIS A 33 -1.682 7.913 -6.114 1.00 74.11 O ATOM 515 CB HIS A 33 -1.719 10.875 -4.885 1.00 1.32 C ATOM 516 CG HIS A 33 -2.526 11.874 -4.113 1.00 42.33 C ATOM 517 ND1 HIS A 33 -1.960 12.841 -3.311 1.00 21.15 N ATOM 518 CD2 HIS A 33 -3.865 12.052 -4.025 1.00 14.23 C ATOM 519 CE1 HIS A 33 -2.915 13.570 -2.762 1.00 12.23 C ATOM 520 NE2 HIS A 33 -4.081 13.111 -3.180 1.00 51.50 N ATOM 0 H HIS A 33 -0.707 10.197 -2.711 1.00 60.54 H new ATOM 0 HA HIS A 33 -2.859 9.146 -4.310 1.00 54.40 H new ATOM 0 HB2 HIS A 33 -0.675 11.187 -4.886 1.00 1.32 H new ATOM 0 HB3 HIS A 33 -2.053 10.875 -5.923 1.00 1.32 H new ATOM 0 HD2 HIS A 33 -4.623 11.469 -4.527 1.00 14.23 H new ATOM 0 HE1 HIS A 33 -2.768 14.400 -2.087 1.00 12.23 H new ATOM 0 HE2 HIS A 33 -4.994 13.483 -2.917 1.00 51.50 H new ATOM 528 N ILE A 34 0.257 8.313 -5.045 1.00 41.35 N ATOM 529 CA ILE A 34 1.032 7.404 -5.881 1.00 42.20 C ATOM 530 C ILE A 34 0.852 5.957 -5.434 1.00 14.21 C ATOM 531 O ILE A 34 0.498 5.089 -6.232 1.00 22.03 O ATOM 532 CB ILE A 34 2.531 7.755 -5.856 1.00 23.14 C ATOM 533 CG1 ILE A 34 2.729 9.258 -6.055 1.00 0.53 C ATOM 534 CG2 ILE A 34 3.277 6.970 -6.924 1.00 54.34 C ATOM 535 CD1 ILE A 34 4.161 9.710 -5.873 1.00 61.31 C ATOM 0 H ILE A 34 0.798 8.785 -4.321 1.00 41.35 H new ATOM 0 HA ILE A 34 0.658 7.516 -6.899 1.00 42.20 H new ATOM 0 HB ILE A 34 2.937 7.481 -4.882 1.00 23.14 H new ATOM 0 HG12 ILE A 34 2.395 9.530 -7.056 1.00 0.53 H new ATOM 0 HG13 ILE A 34 2.095 9.796 -5.350 1.00 0.53 H new ATOM 0 HG21 ILE A 34 4.335 7.229 -6.894 1.00 54.34 H new ATOM 0 HG22 ILE A 34 3.160 5.902 -6.739 1.00 54.34 H new ATOM 0 HG23 ILE A 34 2.872 7.215 -7.906 1.00 54.34 H new ATOM 0 HD11 ILE A 34 4.225 10.787 -6.029 1.00 61.31 H new ATOM 0 HD12 ILE A 34 4.493 9.469 -4.863 1.00 61.31 H new ATOM 0 HD13 ILE A 34 4.798 9.200 -6.595 1.00 61.31 H new ATOM 547 N VAL A 35 1.096 5.706 -4.151 1.00 54.11 N ATOM 548 CA VAL A 35 0.958 4.365 -3.596 1.00 33.11 C ATOM 549 C VAL A 35 -0.377 3.741 -3.989 1.00 51.31 C ATOM 550 O VAL A 35 -0.460 2.541 -4.253 1.00 44.54 O ATOM 551 CB VAL A 35 1.072 4.378 -2.060 1.00 44.54 C ATOM 552 CG1 VAL A 35 0.920 2.972 -1.500 1.00 45.31 C ATOM 553 CG2 VAL A 35 2.397 4.993 -1.631 1.00 31.11 C ATOM 0 H VAL A 35 1.390 6.413 -3.477 1.00 54.11 H new ATOM 0 HA VAL A 35 1.771 3.768 -4.009 1.00 33.11 H new ATOM 0 HB VAL A 35 0.265 4.991 -1.658 1.00 44.54 H new ATOM 0 HG11 VAL A 35 1.004 3.002 -0.414 1.00 45.31 H new ATOM 0 HG12 VAL A 35 -0.056 2.573 -1.778 1.00 45.31 H new ATOM 0 HG13 VAL A 35 1.703 2.332 -1.906 1.00 45.31 H new ATOM 0 HG21 VAL A 35 2.462 4.995 -0.543 1.00 31.11 H new ATOM 0 HG22 VAL A 35 3.220 4.408 -2.043 1.00 31.11 H new ATOM 0 HG23 VAL A 35 2.459 6.017 -2.000 1.00 31.11 H new ATOM 563 N TRP A 36 -1.419 4.564 -4.027 1.00 52.35 N ATOM 564 CA TRP A 36 -2.751 4.094 -4.389 1.00 31.21 C ATOM 565 C TRP A 36 -2.786 3.618 -5.838 1.00 2.12 C ATOM 566 O TRP A 36 -3.307 2.543 -6.136 1.00 5.34 O ATOM 567 CB TRP A 36 -3.781 5.204 -4.179 1.00 74.01 C ATOM 568 CG TRP A 36 -5.171 4.808 -4.576 1.00 41.31 C ATOM 569 CD1 TRP A 36 -6.010 3.969 -3.899 1.00 64.11 C ATOM 570 CD2 TRP A 36 -5.883 5.233 -5.743 1.00 42.20 C ATOM 571 NE1 TRP A 36 -7.199 3.847 -4.575 1.00 52.51 N ATOM 572 CE2 TRP A 36 -7.147 4.614 -5.709 1.00 72.14 C ATOM 573 CE3 TRP A 36 -5.577 6.079 -6.813 1.00 63.33 C ATOM 574 CZ2 TRP A 36 -8.101 4.813 -6.704 1.00 10.41 C ATOM 575 CZ3 TRP A 36 -6.524 6.275 -7.800 1.00 24.35 C ATOM 576 CH2 TRP A 36 -7.774 5.645 -7.739 1.00 45.52 C ATOM 0 H TRP A 36 -1.367 5.560 -3.812 1.00 52.35 H new ATOM 0 HA TRP A 36 -2.999 3.251 -3.743 1.00 31.21 H new ATOM 0 HB2 TRP A 36 -3.780 5.496 -3.129 1.00 74.01 H new ATOM 0 HB3 TRP A 36 -3.482 6.080 -4.754 1.00 74.01 H new ATOM 0 HD1 TRP A 36 -5.773 3.474 -2.969 1.00 64.11 H new ATOM 0 HE1 TRP A 36 -7.992 3.278 -4.281 1.00 52.51 H new ATOM 0 HE3 TRP A 36 -4.617 6.571 -6.867 1.00 63.33 H new ATOM 0 HZ2 TRP A 36 -9.065 4.328 -6.660 1.00 10.41 H new ATOM 0 HZ3 TRP A 36 -6.297 6.925 -8.632 1.00 24.35 H new ATOM 0 HH2 TRP A 36 -8.494 5.820 -8.525 1.00 45.52 H new ATOM 587 N ALA A 37 -2.228 4.425 -6.734 1.00 10.01 N ATOM 588 CA ALA A 37 -2.194 4.086 -8.151 1.00 20.43 C ATOM 589 C ALA A 37 -1.330 2.854 -8.400 1.00 23.45 C ATOM 590 O ALA A 37 -1.697 1.973 -9.177 1.00 63.24 O ATOM 591 CB ALA A 37 -1.680 5.265 -8.965 1.00 33.54 C ATOM 0 H ALA A 37 -1.793 5.318 -6.504 1.00 10.01 H new ATOM 0 HA ALA A 37 -3.211 3.856 -8.468 1.00 20.43 H new ATOM 0 HB1 ALA A 37 -1.660 4.997 -10.021 1.00 33.54 H new ATOM 0 HB2 ALA A 37 -2.338 6.122 -8.820 1.00 33.54 H new ATOM 0 HB3 ALA A 37 -0.673 5.522 -8.637 1.00 33.54 H new ATOM 597 N SER A 38 -0.181 2.798 -7.733 1.00 32.42 N ATOM 598 CA SER A 38 0.737 1.676 -7.885 1.00 62.33 C ATOM 599 C SER A 38 0.052 0.360 -7.525 1.00 42.34 C ATOM 600 O SER A 38 0.370 -0.690 -8.083 1.00 74.14 O ATOM 601 CB SER A 38 1.973 1.877 -7.006 1.00 54.01 C ATOM 602 OG SER A 38 3.157 1.880 -7.783 1.00 63.53 O ATOM 0 H SER A 38 0.136 3.517 -7.082 1.00 32.42 H new ATOM 0 HA SER A 38 1.046 1.631 -8.929 1.00 62.33 H new ATOM 0 HB2 SER A 38 1.888 2.819 -6.464 1.00 54.01 H new ATOM 0 HB3 SER A 38 2.026 1.084 -6.261 1.00 54.01 H new ATOM 0 HG SER A 38 3.932 2.012 -7.198 1.00 63.53 H new ATOM 608 N ARG A 39 -0.890 0.428 -6.590 1.00 2.32 N ATOM 609 CA ARG A 39 -1.619 -0.757 -6.154 1.00 2.40 C ATOM 610 C ARG A 39 -2.855 -0.983 -7.020 1.00 43.33 C ATOM 611 O ARG A 39 -3.432 -2.069 -7.021 1.00 33.23 O ATOM 612 CB ARG A 39 -2.030 -0.617 -4.687 1.00 50.23 C ATOM 613 CG ARG A 39 -1.122 -1.368 -3.727 1.00 11.24 C ATOM 614 CD ARG A 39 -1.924 -2.164 -2.709 1.00 5.40 C ATOM 615 NE ARG A 39 -1.065 -2.812 -1.722 1.00 21.34 N ATOM 616 CZ ARG A 39 -1.508 -3.683 -0.821 1.00 41.52 C ATOM 617 NH1 ARG A 39 -2.793 -4.008 -0.784 1.00 4.41 N ATOM 618 NH2 ARG A 39 -0.665 -4.230 0.045 1.00 61.03 N ATOM 0 H ARG A 39 -1.166 1.290 -6.120 1.00 2.32 H new ATOM 0 HA ARG A 39 -0.960 -1.619 -6.259 1.00 2.40 H new ATOM 0 HB2 ARG A 39 -2.034 0.439 -4.419 1.00 50.23 H new ATOM 0 HB3 ARG A 39 -3.051 -0.980 -4.568 1.00 50.23 H new ATOM 0 HG2 ARG A 39 -0.474 -2.041 -4.289 1.00 11.24 H new ATOM 0 HG3 ARG A 39 -0.474 -0.661 -3.209 1.00 11.24 H new ATOM 0 HD2 ARG A 39 -2.624 -1.501 -2.201 1.00 5.40 H new ATOM 0 HD3 ARG A 39 -2.517 -2.919 -3.225 1.00 5.40 H new ATOM 0 HE ARG A 39 -0.071 -2.584 -1.724 1.00 21.34 H new ATOM 0 HH11 ARG A 39 -3.444 -3.589 -1.448 1.00 4.41 H new ATOM 0 HH12 ARG A 39 -3.130 -4.677 -0.092 1.00 4.41 H new ATOM 0 HH21 ARG A 39 0.324 -3.982 0.020 1.00 61.03 H new ATOM 0 HH22 ARG A 39 -1.006 -4.898 0.736 1.00 61.03 H new ATOM 632 N GLU A 40 -3.253 0.050 -7.755 1.00 15.11 N ATOM 633 CA GLU A 40 -4.421 -0.037 -8.624 1.00 31.03 C ATOM 634 C GLU A 40 -4.036 -0.569 -10.001 1.00 21.10 C ATOM 635 O GLU A 40 -4.753 -1.381 -10.589 1.00 31.15 O ATOM 636 CB GLU A 40 -5.085 1.335 -8.763 1.00 62.30 C ATOM 637 CG GLU A 40 -6.594 1.268 -8.923 1.00 10.24 C ATOM 638 CD GLU A 40 -7.293 0.786 -7.665 1.00 45.31 C ATOM 639 OE1 GLU A 40 -7.543 1.620 -6.770 1.00 64.12 O ATOM 640 OE2 GLU A 40 -7.590 -0.423 -7.577 1.00 22.41 O ATOM 0 H GLU A 40 -2.785 0.956 -7.766 1.00 15.11 H new ATOM 0 HA GLU A 40 -5.129 -0.731 -8.170 1.00 31.03 H new ATOM 0 HB2 GLU A 40 -4.848 1.935 -7.884 1.00 62.30 H new ATOM 0 HB3 GLU A 40 -4.659 1.850 -9.624 1.00 62.30 H new ATOM 0 HG2 GLU A 40 -6.972 2.255 -9.189 1.00 10.24 H new ATOM 0 HG3 GLU A 40 -6.839 0.600 -9.749 1.00 10.24 H new ATOM 647 N LEU A 41 -2.901 -0.106 -10.511 1.00 65.02 N ATOM 648 CA LEU A 41 -2.418 -0.535 -11.820 1.00 15.30 C ATOM 649 C LEU A 41 -2.258 -2.051 -11.872 1.00 53.13 C ATOM 650 O LEU A 41 -2.610 -2.688 -12.863 1.00 73.15 O ATOM 651 CB LEU A 41 -1.085 0.142 -12.141 1.00 32.41 C ATOM 652 CG LEU A 41 -1.172 1.537 -12.762 1.00 72.52 C ATOM 653 CD1 LEU A 41 0.217 2.129 -12.942 1.00 31.34 C ATOM 654 CD2 LEU A 41 -1.907 1.483 -14.094 1.00 21.25 C ATOM 0 H LEU A 41 -2.297 0.567 -10.039 1.00 65.02 H new ATOM 0 HA LEU A 41 -3.156 -0.241 -12.566 1.00 15.30 H new ATOM 0 HB2 LEU A 41 -0.505 0.212 -11.221 1.00 32.41 H new ATOM 0 HB3 LEU A 41 -0.528 -0.502 -12.821 1.00 32.41 H new ATOM 0 HG LEU A 41 -1.734 2.180 -12.085 1.00 72.52 H new ATOM 0 HD11 LEU A 41 0.135 3.122 -13.385 1.00 31.34 H new ATOM 0 HD12 LEU A 41 0.709 2.204 -11.972 1.00 31.34 H new ATOM 0 HD13 LEU A 41 0.804 1.486 -13.598 1.00 31.34 H new ATOM 0 HD21 LEU A 41 -1.960 2.484 -14.521 1.00 21.25 H new ATOM 0 HD22 LEU A 41 -1.372 0.824 -14.778 1.00 21.25 H new ATOM 0 HD23 LEU A 41 -2.916 1.102 -13.938 1.00 21.25 H new ATOM 666 N GLU A 42 -1.726 -2.621 -10.795 1.00 73.22 N ATOM 667 CA GLU A 42 -1.521 -4.063 -10.719 1.00 64.21 C ATOM 668 C GLU A 42 -2.831 -4.812 -10.948 1.00 21.12 C ATOM 669 O GLU A 42 -2.830 -5.971 -11.362 1.00 73.12 O ATOM 670 CB GLU A 42 -0.932 -4.445 -9.359 1.00 33.13 C ATOM 671 CG GLU A 42 0.325 -5.292 -9.457 1.00 23.24 C ATOM 672 CD GLU A 42 1.092 -5.349 -8.149 1.00 44.23 C ATOM 673 OE1 GLU A 42 0.728 -6.170 -7.283 1.00 63.54 O ATOM 674 OE2 GLU A 42 2.057 -4.571 -7.994 1.00 12.22 O ATOM 0 H GLU A 42 -1.430 -2.108 -9.965 1.00 73.22 H new ATOM 0 HA GLU A 42 -0.819 -4.347 -11.503 1.00 64.21 H new ATOM 0 HB2 GLU A 42 -0.705 -3.536 -8.802 1.00 33.13 H new ATOM 0 HB3 GLU A 42 -1.683 -4.990 -8.787 1.00 33.13 H new ATOM 0 HG2 GLU A 42 0.055 -6.304 -9.760 1.00 23.24 H new ATOM 0 HG3 GLU A 42 0.971 -4.888 -10.236 1.00 23.24 H new ATOM 681 N ARG A 43 -3.945 -4.141 -10.673 1.00 50.10 N ATOM 682 CA ARG A 43 -5.261 -4.743 -10.847 1.00 33.22 C ATOM 683 C ARG A 43 -5.726 -4.625 -12.296 1.00 41.31 C ATOM 684 O ARG A 43 -6.589 -5.379 -12.745 1.00 11.42 O ATOM 685 CB ARG A 43 -6.276 -4.076 -9.918 1.00 14.54 C ATOM 686 CG ARG A 43 -6.655 -4.928 -8.718 1.00 32.15 C ATOM 687 CD ARG A 43 -8.070 -4.629 -8.246 1.00 0.41 C ATOM 688 NE ARG A 43 -9.076 -5.234 -9.113 1.00 72.35 N ATOM 689 CZ ARG A 43 -10.351 -5.378 -8.770 1.00 74.32 C ATOM 690 NH1 ARG A 43 -10.774 -4.963 -7.584 1.00 1.20 N ATOM 691 NH2 ARG A 43 -11.207 -5.939 -9.614 1.00 74.42 N ATOM 0 H ARG A 43 -3.962 -3.181 -10.329 1.00 50.10 H new ATOM 0 HA ARG A 43 -5.186 -5.800 -10.593 1.00 33.22 H new ATOM 0 HB2 ARG A 43 -5.866 -3.129 -9.566 1.00 14.54 H new ATOM 0 HB3 ARG A 43 -7.177 -3.842 -10.486 1.00 14.54 H new ATOM 0 HG2 ARG A 43 -6.573 -5.983 -8.979 1.00 32.15 H new ATOM 0 HG3 ARG A 43 -5.953 -4.745 -7.905 1.00 32.15 H new ATOM 0 HD2 ARG A 43 -8.198 -4.999 -7.229 1.00 0.41 H new ATOM 0 HD3 ARG A 43 -8.221 -3.550 -8.214 1.00 0.41 H new ATOM 0 HE ARG A 43 -8.784 -5.564 -10.033 1.00 72.35 H new ATOM 0 HH11 ARG A 43 -10.120 -4.531 -6.931 1.00 1.20 H new ATOM 0 HH12 ARG A 43 -11.754 -5.075 -7.324 1.00 1.20 H new ATOM 0 HH21 ARG A 43 -10.886 -6.260 -10.527 1.00 74.42 H new ATOM 0 HH22 ARG A 43 -12.186 -6.049 -9.350 1.00 74.42 H new ATOM 705 N PHE A 44 -5.149 -3.672 -13.021 1.00 32.24 N ATOM 706 CA PHE A 44 -5.505 -3.453 -14.418 1.00 73.51 C ATOM 707 C PHE A 44 -4.546 -4.195 -15.346 1.00 53.55 C ATOM 708 O PHE A 44 -4.393 -3.835 -16.512 1.00 52.24 O ATOM 709 CB PHE A 44 -5.492 -1.959 -14.741 1.00 52.43 C ATOM 710 CG PHE A 44 -6.680 -1.217 -14.198 1.00 63.20 C ATOM 711 CD1 PHE A 44 -7.967 -1.632 -14.496 1.00 35.23 C ATOM 712 CD2 PHE A 44 -6.508 -0.105 -13.389 1.00 30.11 C ATOM 713 CE1 PHE A 44 -9.063 -0.951 -13.997 1.00 65.44 C ATOM 714 CE2 PHE A 44 -7.599 0.579 -12.886 1.00 41.25 C ATOM 715 CZ PHE A 44 -8.878 0.155 -13.191 1.00 14.22 C ATOM 0 H PHE A 44 -4.433 -3.039 -12.664 1.00 32.24 H new ATOM 0 HA PHE A 44 -6.511 -3.843 -14.577 1.00 73.51 H new ATOM 0 HB2 PHE A 44 -4.582 -1.516 -14.337 1.00 52.43 H new ATOM 0 HB3 PHE A 44 -5.457 -1.830 -15.823 1.00 52.43 H new ATOM 0 HD1 PHE A 44 -8.117 -2.497 -15.125 1.00 35.23 H new ATOM 0 HD2 PHE A 44 -5.510 0.231 -13.149 1.00 30.11 H new ATOM 0 HE1 PHE A 44 -10.062 -1.284 -14.237 1.00 65.44 H new ATOM 0 HE2 PHE A 44 -7.452 1.443 -12.256 1.00 41.25 H new ATOM 0 HZ PHE A 44 -9.732 0.688 -12.800 1.00 14.22 H new ATOM 725 N ALA A 45 -3.904 -5.231 -14.819 1.00 31.55 N ATOM 726 CA ALA A 45 -2.962 -6.024 -15.599 1.00 20.15 C ATOM 727 C ALA A 45 -1.760 -5.188 -16.021 1.00 65.22 C ATOM 728 O ALA A 45 -1.026 -5.557 -16.938 1.00 24.02 O ATOM 729 CB ALA A 45 -3.653 -6.615 -16.819 1.00 1.35 C ATOM 0 H ALA A 45 -4.019 -5.541 -13.854 1.00 31.55 H new ATOM 0 HA ALA A 45 -2.602 -6.838 -14.970 1.00 20.15 H new ATOM 0 HB1 ALA A 45 -2.938 -7.205 -17.392 1.00 1.35 H new ATOM 0 HB2 ALA A 45 -4.475 -7.254 -16.497 1.00 1.35 H new ATOM 0 HB3 ALA A 45 -4.042 -5.810 -17.443 1.00 1.35 H new ATOM 735 N VAL A 46 -1.564 -4.058 -15.349 1.00 24.21 N ATOM 736 CA VAL A 46 -0.449 -3.169 -15.654 1.00 61.04 C ATOM 737 C VAL A 46 0.523 -3.082 -14.483 1.00 54.50 C ATOM 738 O VAL A 46 0.174 -2.588 -13.411 1.00 62.21 O ATOM 739 CB VAL A 46 -0.941 -1.752 -16.006 1.00 33.53 C ATOM 740 CG1 VAL A 46 0.237 -0.815 -16.217 1.00 3.40 C ATOM 741 CG2 VAL A 46 -1.832 -1.789 -17.239 1.00 63.12 C ATOM 0 H VAL A 46 -2.164 -3.736 -14.589 1.00 24.21 H new ATOM 0 HA VAL A 46 0.065 -3.592 -16.517 1.00 61.04 H new ATOM 0 HB VAL A 46 -1.530 -1.373 -15.171 1.00 33.53 H new ATOM 0 HG11 VAL A 46 -0.130 0.181 -16.465 1.00 3.40 H new ATOM 0 HG12 VAL A 46 0.831 -0.766 -15.304 1.00 3.40 H new ATOM 0 HG13 VAL A 46 0.856 -1.187 -17.033 1.00 3.40 H new ATOM 0 HG21 VAL A 46 -2.171 -0.780 -17.474 1.00 63.12 H new ATOM 0 HG22 VAL A 46 -1.269 -2.188 -18.083 1.00 63.12 H new ATOM 0 HG23 VAL A 46 -2.695 -2.426 -17.045 1.00 63.12 H new ATOM 751 N ASN A 47 1.742 -3.564 -14.695 1.00 52.13 N ATOM 752 CA ASN A 47 2.766 -3.540 -13.657 1.00 34.24 C ATOM 753 C ASN A 47 3.074 -2.109 -13.229 1.00 61.02 C ATOM 754 O ASN A 47 3.123 -1.188 -14.046 1.00 61.11 O ATOM 755 CB ASN A 47 4.042 -4.223 -14.153 1.00 35.21 C ATOM 756 CG ASN A 47 4.121 -5.677 -13.731 1.00 32.41 C ATOM 757 OD1 ASN A 47 4.158 -5.990 -12.540 1.00 13.51 O ATOM 758 ND2 ASN A 47 4.147 -6.576 -14.708 1.00 61.52 N ATOM 0 H ASN A 47 2.046 -3.977 -15.577 1.00 52.13 H new ATOM 0 HA ASN A 47 2.384 -4.084 -12.793 1.00 34.24 H new ATOM 0 HB2 ASN A 47 4.085 -4.160 -15.240 1.00 35.21 H new ATOM 0 HB3 ASN A 47 4.910 -3.688 -13.768 1.00 35.21 H new ATOM 0 HD21 ASN A 47 4.200 -7.570 -14.485 1.00 61.52 H new ATOM 0 HD22 ASN A 47 4.114 -6.273 -15.681 1.00 61.52 H new ATOM 765 N PRO A 48 3.289 -1.916 -11.920 1.00 14.43 N ATOM 766 CA PRO A 48 3.598 -0.599 -11.355 1.00 12.23 C ATOM 767 C PRO A 48 4.985 -0.107 -11.754 1.00 52.10 C ATOM 768 O PRO A 48 5.352 1.035 -11.481 1.00 21.25 O ATOM 769 CB PRO A 48 3.529 -0.836 -9.844 1.00 4.34 C ATOM 770 CG PRO A 48 3.817 -2.288 -9.675 1.00 52.43 C ATOM 771 CD PRO A 48 3.247 -2.967 -10.890 1.00 15.42 C ATOM 0 HA PRO A 48 2.911 0.168 -11.712 1.00 12.23 H new ATOM 0 HB2 PRO A 48 4.258 -0.223 -9.313 1.00 4.34 H new ATOM 0 HB3 PRO A 48 2.547 -0.578 -9.447 1.00 4.34 H new ATOM 0 HG2 PRO A 48 4.889 -2.467 -9.595 1.00 52.43 H new ATOM 0 HG3 PRO A 48 3.361 -2.673 -8.763 1.00 52.43 H new ATOM 0 HD2 PRO A 48 3.838 -3.836 -11.179 1.00 15.42 H new ATOM 0 HD3 PRO A 48 2.230 -3.317 -10.714 1.00 15.42 H new ATOM 779 N GLY A 49 5.751 -0.978 -12.404 1.00 41.31 N ATOM 780 CA GLY A 49 7.089 -0.612 -12.831 1.00 61.32 C ATOM 781 C GLY A 49 7.084 0.457 -13.906 1.00 53.40 C ATOM 782 O GLY A 49 8.104 1.098 -14.160 1.00 4.03 O ATOM 0 H GLY A 49 5.469 -1.929 -12.642 1.00 41.31 H new ATOM 0 HA2 GLY A 49 7.656 -0.255 -11.971 1.00 61.32 H new ATOM 0 HA3 GLY A 49 7.602 -1.498 -13.206 1.00 61.32 H new ATOM 786 N LEU A 50 5.933 0.650 -14.540 1.00 2.13 N ATOM 787 CA LEU A 50 5.799 1.649 -15.594 1.00 53.05 C ATOM 788 C LEU A 50 5.746 3.056 -15.009 1.00 3.21 C ATOM 789 O LEU A 50 5.738 4.046 -15.742 1.00 1.23 O ATOM 790 CB LEU A 50 4.539 1.381 -16.421 1.00 30.10 C ATOM 791 CG LEU A 50 4.431 -0.009 -17.049 1.00 4.14 C ATOM 792 CD1 LEU A 50 3.044 -0.224 -17.631 1.00 34.42 C ATOM 793 CD2 LEU A 50 5.497 -0.195 -18.119 1.00 13.02 C ATOM 0 H LEU A 50 5.079 0.128 -14.343 1.00 2.13 H new ATOM 0 HA LEU A 50 6.674 1.577 -16.240 1.00 53.05 H new ATOM 0 HB2 LEU A 50 3.670 1.538 -15.783 1.00 30.10 H new ATOM 0 HB3 LEU A 50 4.487 2.123 -17.218 1.00 30.10 H new ATOM 0 HG LEU A 50 4.594 -0.753 -16.270 1.00 4.14 H new ATOM 0 HD11 LEU A 50 2.985 -1.218 -18.074 1.00 34.42 H new ATOM 0 HD12 LEU A 50 2.300 -0.134 -16.840 1.00 34.42 H new ATOM 0 HD13 LEU A 50 2.851 0.526 -18.398 1.00 34.42 H new ATOM 0 HD21 LEU A 50 5.405 -1.190 -18.555 1.00 13.02 H new ATOM 0 HD22 LEU A 50 5.366 0.556 -18.898 1.00 13.02 H new ATOM 0 HD23 LEU A 50 6.485 -0.085 -17.672 1.00 13.02 H new ATOM 805 N LEU A 51 5.713 3.139 -13.683 1.00 52.13 N ATOM 806 CA LEU A 51 5.664 4.426 -12.997 1.00 62.32 C ATOM 807 C LEU A 51 7.057 5.037 -12.887 1.00 44.11 C ATOM 808 O LEU A 51 7.202 6.241 -12.678 1.00 11.21 O ATOM 809 CB LEU A 51 5.056 4.259 -11.603 1.00 45.52 C ATOM 810 CG LEU A 51 3.567 3.916 -11.557 1.00 31.00 C ATOM 811 CD1 LEU A 51 3.080 3.846 -10.119 1.00 33.31 C ATOM 812 CD2 LEU A 51 2.760 4.936 -12.346 1.00 52.53 C ATOM 0 H LEU A 51 5.719 2.330 -13.062 1.00 52.13 H new ATOM 0 HA LEU A 51 5.037 5.099 -13.582 1.00 62.32 H new ATOM 0 HB2 LEU A 51 5.605 3.476 -11.081 1.00 45.52 H new ATOM 0 HB3 LEU A 51 5.213 5.183 -11.047 1.00 45.52 H new ATOM 0 HG LEU A 51 3.425 2.937 -12.015 1.00 31.00 H new ATOM 0 HD11 LEU A 51 2.018 3.601 -10.106 1.00 33.31 H new ATOM 0 HD12 LEU A 51 3.637 3.077 -9.583 1.00 33.31 H new ATOM 0 HD13 LEU A 51 3.236 4.810 -9.635 1.00 33.31 H new ATOM 0 HD21 LEU A 51 1.702 4.676 -12.302 1.00 52.53 H new ATOM 0 HD22 LEU A 51 2.908 5.927 -11.917 1.00 52.53 H new ATOM 0 HD23 LEU A 51 3.091 4.937 -13.385 1.00 52.53 H new ATOM 824 N GLU A 52 8.079 4.199 -13.032 1.00 11.43 N ATOM 825 CA GLU A 52 9.460 4.659 -12.950 1.00 44.12 C ATOM 826 C GLU A 52 10.027 4.929 -14.341 1.00 1.33 C ATOM 827 O GLU A 52 11.229 4.793 -14.572 1.00 44.03 O ATOM 828 CB GLU A 52 10.324 3.622 -12.228 1.00 43.44 C ATOM 829 CG GLU A 52 10.437 2.301 -12.971 1.00 13.33 C ATOM 830 CD GLU A 52 11.803 1.660 -12.817 1.00 13.02 C ATOM 831 OE1 GLU A 52 12.804 2.298 -13.202 1.00 43.22 O ATOM 832 OE2 GLU A 52 11.869 0.521 -12.312 1.00 30.35 O ATOM 0 H GLU A 52 7.977 3.199 -13.207 1.00 11.43 H new ATOM 0 HA GLU A 52 9.473 5.590 -12.384 1.00 44.12 H new ATOM 0 HB2 GLU A 52 11.323 4.033 -12.080 1.00 43.44 H new ATOM 0 HB3 GLU A 52 9.905 3.438 -11.238 1.00 43.44 H new ATOM 0 HG2 GLU A 52 9.674 1.615 -12.603 1.00 13.33 H new ATOM 0 HG3 GLU A 52 10.234 2.465 -14.029 1.00 13.33 H new ATOM 839 N THR A 53 9.152 5.314 -15.265 1.00 60.05 N ATOM 840 CA THR A 53 9.564 5.602 -16.634 1.00 32.12 C ATOM 841 C THR A 53 8.621 6.603 -17.291 1.00 75.04 C ATOM 842 O THR A 53 7.481 6.274 -17.619 1.00 73.44 O ATOM 843 CB THR A 53 9.611 4.321 -17.488 1.00 11.44 C ATOM 844 OG1 THR A 53 8.297 3.991 -17.950 1.00 52.12 O ATOM 845 CG2 THR A 53 10.180 3.159 -16.688 1.00 21.21 C ATOM 0 H THR A 53 8.154 5.434 -15.091 1.00 60.05 H new ATOM 0 HA THR A 53 10.565 6.030 -16.580 1.00 32.12 H new ATOM 0 HB THR A 53 10.260 4.505 -18.344 1.00 11.44 H new ATOM 0 HG1 THR A 53 7.633 4.495 -17.435 1.00 52.12 H new ATOM 0 HG21 THR A 53 10.204 2.265 -17.311 1.00 21.21 H new ATOM 0 HG22 THR A 53 11.192 3.402 -16.363 1.00 21.21 H new ATOM 0 HG23 THR A 53 9.553 2.976 -15.815 1.00 21.21 H new ATOM 853 N SER A 54 9.103 7.827 -17.482 1.00 62.33 N ATOM 854 CA SER A 54 8.301 8.877 -18.098 1.00 50.42 C ATOM 855 C SER A 54 7.655 8.381 -19.389 1.00 45.04 C ATOM 856 O SER A 54 6.562 8.811 -19.752 1.00 52.23 O ATOM 857 CB SER A 54 9.167 10.106 -18.387 1.00 74.32 C ATOM 858 OG SER A 54 8.404 11.297 -18.303 1.00 43.44 O ATOM 0 H SER A 54 10.045 8.116 -17.219 1.00 62.33 H new ATOM 0 HA SER A 54 7.511 9.154 -17.400 1.00 50.42 H new ATOM 0 HB2 SER A 54 9.993 10.148 -17.677 1.00 74.32 H new ATOM 0 HB3 SER A 54 9.606 10.020 -19.381 1.00 74.32 H new ATOM 0 HG SER A 54 8.979 12.068 -18.490 1.00 43.44 H new ATOM 864 N GLU A 55 8.342 7.474 -20.076 1.00 20.53 N ATOM 865 CA GLU A 55 7.836 6.918 -21.326 1.00 12.43 C ATOM 866 C GLU A 55 6.726 5.905 -21.062 1.00 61.10 C ATOM 867 O GLU A 55 5.785 5.780 -21.844 1.00 53.15 O ATOM 868 CB GLU A 55 8.969 6.258 -22.113 1.00 34.02 C ATOM 869 CG GLU A 55 8.770 6.299 -23.619 1.00 11.14 C ATOM 870 CD GLU A 55 7.529 5.550 -24.063 1.00 41.44 C ATOM 871 OE1 GLU A 55 7.571 4.303 -24.101 1.00 34.24 O ATOM 872 OE2 GLU A 55 6.516 6.212 -24.375 1.00 23.32 O ATOM 0 H GLU A 55 9.250 7.109 -19.789 1.00 20.53 H new ATOM 0 HA GLU A 55 7.423 7.736 -21.916 1.00 12.43 H new ATOM 0 HB2 GLU A 55 9.908 6.753 -21.866 1.00 34.02 H new ATOM 0 HB3 GLU A 55 9.063 5.219 -21.796 1.00 34.02 H new ATOM 0 HG2 GLU A 55 8.699 7.337 -23.944 1.00 11.14 H new ATOM 0 HG3 GLU A 55 9.644 5.870 -24.109 1.00 11.14 H new ATOM 879 N GLY A 56 6.845 5.182 -19.952 1.00 12.22 N ATOM 880 CA GLY A 56 5.847 4.188 -19.604 1.00 34.31 C ATOM 881 C GLY A 56 4.576 4.808 -19.057 1.00 51.54 C ATOM 882 O GLY A 56 3.474 4.335 -19.340 1.00 4.44 O ATOM 0 H GLY A 56 7.615 5.267 -19.288 1.00 12.22 H new ATOM 0 HA2 GLY A 56 5.607 3.594 -20.486 1.00 34.31 H new ATOM 0 HA3 GLY A 56 6.262 3.505 -18.863 1.00 34.31 H new ATOM 886 N CYS A 57 4.729 5.868 -18.272 1.00 13.13 N ATOM 887 CA CYS A 57 3.584 6.553 -17.681 1.00 41.50 C ATOM 888 C CYS A 57 2.605 7.004 -18.759 1.00 74.34 C ATOM 889 O CYS A 57 1.406 7.131 -18.509 1.00 51.53 O ATOM 890 CB CYS A 57 4.051 7.758 -16.863 1.00 0.55 C ATOM 891 SG CYS A 57 4.719 7.333 -15.237 1.00 43.13 S ATOM 0 H CYS A 57 5.634 6.272 -18.030 1.00 13.13 H new ATOM 0 HA CYS A 57 3.073 5.852 -17.022 1.00 41.50 H new ATOM 0 HB2 CYS A 57 4.814 8.294 -17.428 1.00 0.55 H new ATOM 0 HB3 CYS A 57 3.212 8.442 -16.732 1.00 0.55 H new ATOM 0 HG CYS A 57 3.899 7.736 -14.312 1.00 43.13 H new ATOM 897 N ARG A 58 3.123 7.246 -19.959 1.00 3.44 N ATOM 898 CA ARG A 58 2.295 7.686 -21.075 1.00 40.43 C ATOM 899 C ARG A 58 1.379 6.562 -21.548 1.00 73.30 C ATOM 900 O ARG A 58 0.255 6.807 -21.985 1.00 63.52 O ATOM 901 CB ARG A 58 3.174 8.163 -22.233 1.00 5.34 C ATOM 902 CG ARG A 58 2.458 9.094 -23.197 1.00 11.42 C ATOM 903 CD ARG A 58 2.760 8.738 -24.644 1.00 71.35 C ATOM 904 NE ARG A 58 4.061 9.244 -25.073 1.00 24.24 N ATOM 905 CZ ARG A 58 4.722 8.774 -26.124 1.00 41.34 C ATOM 906 NH1 ARG A 58 4.206 7.794 -26.853 1.00 25.41 N ATOM 907 NH2 ARG A 58 5.902 9.286 -26.451 1.00 12.32 N ATOM 0 H ARG A 58 4.113 7.145 -20.183 1.00 3.44 H new ATOM 0 HA ARG A 58 1.677 8.515 -20.731 1.00 40.43 H new ATOM 0 HB2 ARG A 58 4.047 8.674 -21.828 1.00 5.34 H new ATOM 0 HB3 ARG A 58 3.539 7.295 -22.783 1.00 5.34 H new ATOM 0 HG2 ARG A 58 1.383 9.041 -23.025 1.00 11.42 H new ATOM 0 HG3 ARG A 58 2.761 10.123 -23.004 1.00 11.42 H new ATOM 0 HD2 ARG A 58 2.735 7.655 -24.763 1.00 71.35 H new ATOM 0 HD3 ARG A 58 1.982 9.148 -25.288 1.00 71.35 H new ATOM 0 HE ARG A 58 4.485 10.000 -24.536 1.00 24.24 H new ATOM 0 HH11 ARG A 58 3.298 7.399 -26.607 1.00 25.41 H new ATOM 0 HH12 ARG A 58 4.717 7.435 -27.660 1.00 25.41 H new ATOM 0 HH21 ARG A 58 6.302 10.041 -25.895 1.00 12.32 H new ATOM 0 HH22 ARG A 58 6.409 8.924 -27.259 1.00 12.32 H new ATOM 921 N GLN A 59 1.868 5.329 -21.458 1.00 44.15 N ATOM 922 CA GLN A 59 1.094 4.168 -21.879 1.00 60.11 C ATOM 923 C GLN A 59 -0.124 3.972 -20.982 1.00 52.13 C ATOM 924 O GLN A 59 -1.198 3.593 -21.451 1.00 21.45 O ATOM 925 CB GLN A 59 1.966 2.911 -21.857 1.00 20.33 C ATOM 926 CG GLN A 59 1.416 1.774 -22.703 1.00 44.43 C ATOM 927 CD GLN A 59 2.413 0.645 -22.882 1.00 4.02 C ATOM 928 OE1 GLN A 59 2.793 0.308 -24.003 1.00 54.43 O ATOM 929 NE2 GLN A 59 2.842 0.054 -21.773 1.00 54.43 N ATOM 0 H GLN A 59 2.796 5.109 -21.097 1.00 44.15 H new ATOM 0 HA GLN A 59 0.748 4.343 -22.898 1.00 60.11 H new ATOM 0 HB2 GLN A 59 2.965 3.166 -22.211 1.00 20.33 H new ATOM 0 HB3 GLN A 59 2.070 2.569 -20.827 1.00 20.33 H new ATOM 0 HG2 GLN A 59 0.511 1.384 -22.237 1.00 44.43 H new ATOM 0 HG3 GLN A 59 1.130 2.160 -23.682 1.00 44.43 H new ATOM 0 HE21 GLN A 59 2.500 0.366 -20.864 1.00 54.43 H new ATOM 0 HE22 GLN A 59 3.513 -0.712 -21.830 1.00 54.43 H new ATOM 938 N ILE A 60 0.051 4.232 -19.690 1.00 71.04 N ATOM 939 CA ILE A 60 -1.035 4.085 -18.729 1.00 24.43 C ATOM 940 C ILE A 60 -2.201 5.005 -19.071 1.00 12.02 C ATOM 941 O ILE A 60 -3.365 4.634 -18.915 1.00 14.10 O ATOM 942 CB ILE A 60 -0.560 4.387 -17.295 1.00 32.51 C ATOM 943 CG1 ILE A 60 0.654 3.525 -16.944 1.00 65.42 C ATOM 944 CG2 ILE A 60 -1.689 4.150 -16.302 1.00 40.33 C ATOM 945 CD1 ILE A 60 1.371 3.972 -15.689 1.00 11.11 C ATOM 0 H ILE A 60 0.933 4.545 -19.286 1.00 71.04 H new ATOM 0 HA ILE A 60 -1.367 3.048 -18.783 1.00 24.43 H new ATOM 0 HB ILE A 60 -0.266 5.435 -17.239 1.00 32.51 H new ATOM 0 HG12 ILE A 60 0.331 2.491 -16.820 1.00 65.42 H new ATOM 0 HG13 ILE A 60 1.355 3.542 -17.779 1.00 65.42 H new ATOM 0 HG21 ILE A 60 -1.338 4.368 -15.293 1.00 40.33 H new ATOM 0 HG22 ILE A 60 -2.528 4.802 -16.543 1.00 40.33 H new ATOM 0 HG23 ILE A 60 -2.010 3.110 -16.358 1.00 40.33 H new ATOM 0 HD11 ILE A 60 2.221 3.315 -15.502 1.00 11.11 H new ATOM 0 HD12 ILE A 60 1.724 4.995 -15.817 1.00 11.11 H new ATOM 0 HD13 ILE A 60 0.685 3.928 -14.843 1.00 11.11 H new ATOM 957 N LEU A 61 -1.882 6.206 -19.540 1.00 5.34 N ATOM 958 CA LEU A 61 -2.904 7.181 -19.907 1.00 20.22 C ATOM 959 C LEU A 61 -3.494 6.861 -21.276 1.00 32.00 C ATOM 960 O LEU A 61 -4.646 7.188 -21.558 1.00 55.24 O ATOM 961 CB LEU A 61 -2.313 8.591 -19.910 1.00 3.34 C ATOM 962 CG LEU A 61 -1.622 9.033 -18.619 1.00 13.44 C ATOM 963 CD1 LEU A 61 -0.621 10.142 -18.902 1.00 51.34 C ATOM 964 CD2 LEU A 61 -2.650 9.490 -17.594 1.00 22.40 C ATOM 0 H LEU A 61 -0.924 6.529 -19.675 1.00 5.34 H new ATOM 0 HA LEU A 61 -3.703 7.130 -19.167 1.00 20.22 H new ATOM 0 HB2 LEU A 61 -1.593 8.660 -20.725 1.00 3.34 H new ATOM 0 HB3 LEU A 61 -3.113 9.298 -20.131 1.00 3.34 H new ATOM 0 HG LEU A 61 -1.082 8.180 -18.208 1.00 13.44 H new ATOM 0 HD11 LEU A 61 -0.139 10.444 -17.972 1.00 51.34 H new ATOM 0 HD12 LEU A 61 0.134 9.781 -19.601 1.00 51.34 H new ATOM 0 HD13 LEU A 61 -1.139 10.997 -19.336 1.00 51.34 H new ATOM 0 HD21 LEU A 61 -2.141 9.801 -16.682 1.00 22.40 H new ATOM 0 HD22 LEU A 61 -3.217 10.329 -17.997 1.00 22.40 H new ATOM 0 HD23 LEU A 61 -3.329 8.668 -17.368 1.00 22.40 H new ATOM 976 N GLY A 62 -2.696 6.218 -22.123 1.00 73.32 N ATOM 977 CA GLY A 62 -3.159 5.862 -23.452 1.00 64.13 C ATOM 978 C GLY A 62 -4.219 4.779 -23.427 1.00 63.43 C ATOM 979 O GLY A 62 -5.033 4.678 -24.344 1.00 72.54 O ATOM 0 H GLY A 62 -1.738 5.937 -21.913 1.00 73.32 H new ATOM 0 HA2 GLY A 62 -3.561 6.748 -23.943 1.00 64.13 H new ATOM 0 HA3 GLY A 62 -2.313 5.524 -24.050 1.00 64.13 H new ATOM 983 N GLN A 63 -4.207 3.965 -22.375 1.00 42.15 N ATOM 984 CA GLN A 63 -5.173 2.882 -22.237 1.00 41.21 C ATOM 985 C GLN A 63 -6.505 3.406 -21.712 1.00 34.31 C ATOM 986 O GLN A 63 -7.568 3.054 -22.224 1.00 53.35 O ATOM 987 CB GLN A 63 -4.630 1.802 -21.300 1.00 43.31 C ATOM 988 CG GLN A 63 -5.597 0.652 -21.072 1.00 25.34 C ATOM 989 CD GLN A 63 -6.129 0.609 -19.653 1.00 2.51 C ATOM 990 OE1 GLN A 63 -5.419 0.939 -18.702 1.00 1.12 O ATOM 991 NE2 GLN A 63 -7.384 0.202 -19.503 1.00 21.25 N ATOM 0 H GLN A 63 -3.539 4.036 -21.607 1.00 42.15 H new ATOM 0 HA GLN A 63 -5.338 2.447 -23.223 1.00 41.21 H new ATOM 0 HB2 GLN A 63 -3.701 1.408 -21.713 1.00 43.31 H new ATOM 0 HB3 GLN A 63 -4.385 2.256 -20.340 1.00 43.31 H new ATOM 0 HG2 GLN A 63 -6.432 0.742 -21.766 1.00 25.34 H new ATOM 0 HG3 GLN A 63 -5.095 -0.289 -21.297 1.00 25.34 H new ATOM 0 HE21 GLN A 63 -7.936 -0.062 -20.319 1.00 21.25 H new ATOM 0 HE22 GLN A 63 -7.796 0.153 -18.571 1.00 21.25 H new ATOM 1000 N LEU A 64 -6.442 4.247 -20.686 1.00 3.25 N ATOM 1001 CA LEU A 64 -7.643 4.819 -20.089 1.00 11.14 C ATOM 1002 C LEU A 64 -8.217 5.923 -20.972 1.00 54.11 C ATOM 1003 O LEU A 64 -9.427 6.144 -20.997 1.00 12.41 O ATOM 1004 CB LEU A 64 -7.331 5.373 -18.698 1.00 13.23 C ATOM 1005 CG LEU A 64 -6.528 4.457 -17.774 1.00 41.04 C ATOM 1006 CD1 LEU A 64 -6.222 5.159 -16.460 1.00 20.21 C ATOM 1007 CD2 LEU A 64 -7.281 3.158 -17.525 1.00 41.22 C ATOM 0 H LEU A 64 -5.571 4.548 -20.250 1.00 3.25 H new ATOM 0 HA LEU A 64 -8.387 4.027 -19.999 1.00 11.14 H new ATOM 0 HB2 LEU A 64 -6.783 6.308 -18.816 1.00 13.23 H new ATOM 0 HB3 LEU A 64 -8.273 5.616 -18.206 1.00 13.23 H new ATOM 0 HG LEU A 64 -5.583 4.218 -18.262 1.00 41.04 H new ATOM 0 HD11 LEU A 64 -5.650 4.492 -15.815 1.00 20.21 H new ATOM 0 HD12 LEU A 64 -5.641 6.060 -16.656 1.00 20.21 H new ATOM 0 HD13 LEU A 64 -7.155 5.429 -15.966 1.00 20.21 H new ATOM 0 HD21 LEU A 64 -6.695 2.518 -16.865 1.00 41.22 H new ATOM 0 HD22 LEU A 64 -8.241 3.378 -17.058 1.00 41.22 H new ATOM 0 HD23 LEU A 64 -7.447 2.646 -18.473 1.00 41.22 H new ATOM 1019 N GLN A 65 -7.340 6.610 -21.697 1.00 10.45 N ATOM 1020 CA GLN A 65 -7.760 7.689 -22.582 1.00 23.14 C ATOM 1021 C GLN A 65 -8.988 7.284 -23.389 1.00 70.41 C ATOM 1022 O GLN A 65 -10.047 7.908 -23.311 1.00 23.22 O ATOM 1023 CB GLN A 65 -6.620 8.076 -23.525 1.00 45.21 C ATOM 1024 CG GLN A 65 -5.955 9.396 -23.166 1.00 61.04 C ATOM 1025 CD GLN A 65 -4.861 9.783 -24.143 1.00 34.22 C ATOM 1026 OE1 GLN A 65 -4.917 9.438 -25.324 1.00 44.22 O ATOM 1027 NE2 GLN A 65 -3.858 10.502 -23.654 1.00 52.13 N ATOM 0 H GLN A 65 -6.335 6.438 -21.689 1.00 10.45 H new ATOM 0 HA GLN A 65 -8.021 8.550 -21.966 1.00 23.14 H new ATOM 0 HB2 GLN A 65 -5.869 7.286 -23.517 1.00 45.21 H new ATOM 0 HB3 GLN A 65 -7.006 8.138 -24.542 1.00 45.21 H new ATOM 0 HG2 GLN A 65 -6.709 10.183 -23.140 1.00 61.04 H new ATOM 0 HG3 GLN A 65 -5.533 9.325 -22.163 1.00 61.04 H new ATOM 0 HE21 GLN A 65 -3.852 10.766 -22.669 1.00 52.13 H new ATOM 0 HE22 GLN A 65 -3.093 10.791 -24.264 1.00 52.13 H new ATOM 1036 N PRO A 66 -8.847 6.214 -24.186 1.00 20.24 N ATOM 1037 CA PRO A 66 -9.935 5.701 -25.023 1.00 61.04 C ATOM 1038 C PRO A 66 -11.049 5.064 -24.200 1.00 34.33 C ATOM 1039 O PRO A 66 -12.102 4.710 -24.731 1.00 43.22 O ATOM 1040 CB PRO A 66 -9.246 4.649 -25.896 1.00 0.22 C ATOM 1041 CG PRO A 66 -8.065 4.212 -25.100 1.00 63.40 C ATOM 1042 CD PRO A 66 -7.614 5.422 -24.329 1.00 30.11 C ATOM 0 HA PRO A 66 -10.420 6.494 -25.591 1.00 61.04 H new ATOM 0 HB2 PRO A 66 -9.912 3.813 -26.108 1.00 0.22 H new ATOM 0 HB3 PRO A 66 -8.944 5.067 -26.856 1.00 0.22 H new ATOM 0 HG2 PRO A 66 -8.328 3.396 -24.427 1.00 63.40 H new ATOM 0 HG3 PRO A 66 -7.271 3.845 -25.750 1.00 63.40 H new ATOM 0 HD2 PRO A 66 -7.197 5.149 -23.360 1.00 30.11 H new ATOM 0 HD3 PRO A 66 -6.841 5.974 -24.864 1.00 30.11 H new ATOM 1050 N SER A 67 -10.810 4.919 -22.900 1.00 14.53 N ATOM 1051 CA SER A 67 -11.793 4.322 -22.004 1.00 24.25 C ATOM 1052 C SER A 67 -12.538 5.396 -21.219 1.00 2.53 C ATOM 1053 O SER A 67 -13.527 5.115 -20.541 1.00 23.53 O ATOM 1054 CB SER A 67 -11.109 3.351 -21.039 1.00 31.31 C ATOM 1055 OG SER A 67 -10.499 2.281 -21.739 1.00 75.14 O ATOM 0 H SER A 67 -9.944 5.207 -22.444 1.00 14.53 H new ATOM 0 HA SER A 67 -12.515 3.775 -22.610 1.00 24.25 H new ATOM 0 HB2 SER A 67 -10.358 3.883 -20.455 1.00 31.31 H new ATOM 0 HB3 SER A 67 -11.841 2.958 -20.334 1.00 31.31 H new ATOM 0 HG SER A 67 -9.559 2.497 -21.912 1.00 75.14 H new ATOM 1061 N LEU A 68 -12.057 6.631 -21.316 1.00 3.04 N ATOM 1062 CA LEU A 68 -12.676 7.751 -20.615 1.00 1.41 C ATOM 1063 C LEU A 68 -14.145 7.889 -21.001 1.00 23.14 C ATOM 1064 O LEU A 68 -14.946 8.436 -20.243 1.00 4.33 O ATOM 1065 CB LEU A 68 -11.930 9.049 -20.929 1.00 42.12 C ATOM 1066 CG LEU A 68 -10.646 9.295 -20.136 1.00 4.23 C ATOM 1067 CD1 LEU A 68 -9.712 10.217 -20.904 1.00 30.13 C ATOM 1068 CD2 LEU A 68 -10.968 9.878 -18.767 1.00 12.31 C ATOM 0 H LEU A 68 -11.240 6.882 -21.873 1.00 3.04 H new ATOM 0 HA LEU A 68 -12.618 7.555 -19.544 1.00 1.41 H new ATOM 0 HB2 LEU A 68 -11.684 9.055 -21.991 1.00 42.12 H new ATOM 0 HB3 LEU A 68 -12.607 9.885 -20.754 1.00 42.12 H new ATOM 0 HG LEU A 68 -10.142 8.339 -19.992 1.00 4.23 H new ATOM 0 HD11 LEU A 68 -8.804 10.380 -20.324 1.00 30.13 H new ATOM 0 HD12 LEU A 68 -9.455 9.760 -21.860 1.00 30.13 H new ATOM 0 HD13 LEU A 68 -10.207 11.172 -21.080 1.00 30.13 H new ATOM 0 HD21 LEU A 68 -10.042 10.047 -18.216 1.00 12.31 H new ATOM 0 HD22 LEU A 68 -11.495 10.824 -18.889 1.00 12.31 H new ATOM 0 HD23 LEU A 68 -11.597 9.181 -18.214 1.00 12.31 H new ATOM 1080 N GLN A 69 -14.492 7.388 -22.181 1.00 64.42 N ATOM 1081 CA GLN A 69 -15.865 7.455 -22.666 1.00 72.42 C ATOM 1082 C GLN A 69 -16.838 6.929 -21.616 1.00 11.21 C ATOM 1083 O GLN A 69 -17.851 7.564 -21.319 1.00 73.43 O ATOM 1084 CB GLN A 69 -16.011 6.653 -23.960 1.00 62.23 C ATOM 1085 CG GLN A 69 -17.156 7.124 -24.842 1.00 43.23 C ATOM 1086 CD GLN A 69 -17.136 6.483 -26.216 1.00 51.24 C ATOM 1087 OE1 GLN A 69 -18.051 5.745 -26.582 1.00 52.42 O ATOM 1088 NE2 GLN A 69 -16.091 6.762 -26.986 1.00 5.33 N ATOM 0 H GLN A 69 -13.841 6.931 -22.820 1.00 64.42 H new ATOM 0 HA GLN A 69 -16.103 8.500 -22.866 1.00 72.42 H new ATOM 0 HB2 GLN A 69 -15.080 6.716 -24.523 1.00 62.23 H new ATOM 0 HB3 GLN A 69 -16.163 5.603 -23.711 1.00 62.23 H new ATOM 0 HG2 GLN A 69 -18.103 6.897 -24.353 1.00 43.23 H new ATOM 0 HG3 GLN A 69 -17.105 8.207 -24.950 1.00 43.23 H new ATOM 0 HE21 GLN A 69 -15.355 7.379 -26.643 1.00 5.33 H new ATOM 0 HE22 GLN A 69 -16.024 6.359 -27.921 1.00 5.33 H new ATOM 1097 N THR A 70 -16.525 5.764 -21.056 1.00 51.51 N ATOM 1098 CA THR A 70 -17.373 5.153 -20.040 1.00 4.03 C ATOM 1099 C THR A 70 -16.543 4.630 -18.873 1.00 2.41 C ATOM 1100 O THR A 70 -16.685 3.479 -18.464 1.00 50.43 O ATOM 1101 CB THR A 70 -18.203 3.994 -20.624 1.00 53.23 C ATOM 1102 OG1 THR A 70 -17.337 2.939 -21.053 1.00 62.15 O ATOM 1103 CG2 THR A 70 -19.049 4.471 -21.796 1.00 24.10 C ATOM 0 H THR A 70 -15.691 5.225 -21.289 1.00 51.51 H new ATOM 0 HA THR A 70 -18.048 5.930 -19.683 1.00 4.03 H new ATOM 0 HB THR A 70 -18.868 3.623 -19.844 1.00 53.23 H new ATOM 0 HG1 THR A 70 -16.853 2.578 -20.281 1.00 62.15 H new ATOM 0 HG21 THR A 70 -19.626 3.635 -22.192 1.00 24.10 H new ATOM 0 HG22 THR A 70 -19.728 5.254 -21.459 1.00 24.10 H new ATOM 0 HG23 THR A 70 -18.399 4.865 -22.577 1.00 24.10 H new ATOM 1111 N GLY A 71 -15.676 5.486 -18.340 1.00 22.43 N ATOM 1112 CA GLY A 71 -14.836 5.092 -17.224 1.00 63.21 C ATOM 1113 C GLY A 71 -15.413 5.510 -15.887 1.00 34.23 C ATOM 1114 O GLY A 71 -15.693 6.688 -15.665 1.00 71.03 O ATOM 0 H GLY A 71 -15.541 6.445 -18.661 1.00 22.43 H new ATOM 0 HA2 GLY A 71 -14.704 4.010 -17.237 1.00 63.21 H new ATOM 0 HA3 GLY A 71 -13.847 5.535 -17.344 1.00 63.21 H new ATOM 1118 N SER A 72 -15.595 4.542 -14.994 1.00 0.45 N ATOM 1119 CA SER A 72 -16.150 4.815 -13.673 1.00 3.14 C ATOM 1120 C SER A 72 -15.280 5.814 -12.915 1.00 35.23 C ATOM 1121 O SER A 72 -14.205 6.192 -13.378 1.00 2.24 O ATOM 1122 CB SER A 72 -16.274 3.518 -12.871 1.00 53.40 C ATOM 1123 OG SER A 72 -15.057 2.793 -12.883 1.00 31.03 O ATOM 0 H SER A 72 -15.366 3.562 -15.161 1.00 0.45 H new ATOM 0 HA SER A 72 -17.141 5.249 -13.804 1.00 3.14 H new ATOM 0 HB2 SER A 72 -16.554 3.748 -11.843 1.00 53.40 H new ATOM 0 HB3 SER A 72 -17.071 2.903 -13.289 1.00 53.40 H new ATOM 0 HG SER A 72 -15.162 1.969 -12.362 1.00 31.03 H new ATOM 1129 N GLU A 73 -15.756 6.236 -11.747 1.00 42.13 N ATOM 1130 CA GLU A 73 -15.023 7.192 -10.926 1.00 22.14 C ATOM 1131 C GLU A 73 -13.591 6.721 -10.689 1.00 22.42 C ATOM 1132 O GLU A 73 -12.686 7.530 -10.492 1.00 23.00 O ATOM 1133 CB GLU A 73 -15.732 7.395 -9.586 1.00 1.24 C ATOM 1134 CG GLU A 73 -16.428 8.740 -9.462 1.00 44.35 C ATOM 1135 CD GLU A 73 -17.938 8.615 -9.406 1.00 65.41 C ATOM 1136 OE1 GLU A 73 -18.437 7.843 -8.561 1.00 14.40 O ATOM 1137 OE2 GLU A 73 -18.618 9.288 -10.207 1.00 73.21 O ATOM 0 H GLU A 73 -16.644 5.931 -11.349 1.00 42.13 H new ATOM 0 HA GLU A 73 -14.991 8.141 -11.460 1.00 22.14 H new ATOM 0 HB2 GLU A 73 -16.467 6.601 -9.450 1.00 1.24 H new ATOM 0 HB3 GLU A 73 -15.004 7.297 -8.781 1.00 1.24 H new ATOM 0 HG2 GLU A 73 -16.076 9.245 -8.563 1.00 44.35 H new ATOM 0 HG3 GLU A 73 -16.151 9.367 -10.309 1.00 44.35 H new ATOM 1144 N GLU A 74 -13.396 5.405 -10.710 1.00 55.41 N ATOM 1145 CA GLU A 74 -12.075 4.827 -10.496 1.00 72.22 C ATOM 1146 C GLU A 74 -11.138 5.167 -11.652 1.00 15.41 C ATOM 1147 O GLU A 74 -9.940 5.371 -11.455 1.00 25.15 O ATOM 1148 CB GLU A 74 -12.179 3.307 -10.342 1.00 11.24 C ATOM 1149 CG GLU A 74 -11.744 2.804 -8.976 1.00 45.31 C ATOM 1150 CD GLU A 74 -11.464 1.314 -8.965 1.00 44.13 C ATOM 1151 OE1 GLU A 74 -11.143 0.762 -10.038 1.00 75.43 O ATOM 1152 OE2 GLU A 74 -11.564 0.700 -7.883 1.00 71.51 O ATOM 0 H GLU A 74 -14.135 4.721 -10.873 1.00 55.41 H new ATOM 0 HA GLU A 74 -11.664 5.252 -9.580 1.00 72.22 H new ATOM 0 HB2 GLU A 74 -13.210 3.002 -10.521 1.00 11.24 H new ATOM 0 HB3 GLU A 74 -11.567 2.830 -11.108 1.00 11.24 H new ATOM 0 HG2 GLU A 74 -10.848 3.341 -8.664 1.00 45.31 H new ATOM 0 HG3 GLU A 74 -12.521 3.029 -8.246 1.00 45.31 H new ATOM 1159 N LEU A 75 -11.693 5.229 -12.857 1.00 64.02 N ATOM 1160 CA LEU A 75 -10.908 5.546 -14.045 1.00 51.00 C ATOM 1161 C LEU A 75 -10.472 7.007 -14.036 1.00 70.10 C ATOM 1162 O LEU A 75 -9.347 7.333 -14.418 1.00 31.35 O ATOM 1163 CB LEU A 75 -11.717 5.250 -15.309 1.00 12.55 C ATOM 1164 CG LEU A 75 -10.912 5.077 -16.597 1.00 75.35 C ATOM 1165 CD1 LEU A 75 -11.524 3.990 -17.467 1.00 12.43 C ATOM 1166 CD2 LEU A 75 -10.834 6.392 -17.359 1.00 52.04 C ATOM 0 H LEU A 75 -12.683 5.064 -13.037 1.00 64.02 H new ATOM 0 HA LEU A 75 -10.015 4.920 -14.038 1.00 51.00 H new ATOM 0 HB2 LEU A 75 -12.296 4.342 -15.141 1.00 12.55 H new ATOM 0 HB3 LEU A 75 -12.431 6.060 -15.457 1.00 12.55 H new ATOM 0 HG LEU A 75 -9.899 4.774 -16.331 1.00 75.35 H new ATOM 0 HD11 LEU A 75 -10.938 3.881 -18.379 1.00 12.43 H new ATOM 0 HD12 LEU A 75 -11.526 3.046 -16.922 1.00 12.43 H new ATOM 0 HD13 LEU A 75 -12.548 4.263 -17.724 1.00 12.43 H new ATOM 0 HD21 LEU A 75 -10.257 6.249 -18.273 1.00 52.04 H new ATOM 0 HD22 LEU A 75 -11.840 6.725 -17.613 1.00 52.04 H new ATOM 0 HD23 LEU A 75 -10.349 7.144 -16.737 1.00 52.04 H new ATOM 1178 N ARG A 76 -11.368 7.884 -13.597 1.00 14.52 N ATOM 1179 CA ARG A 76 -11.076 9.311 -13.538 1.00 20.02 C ATOM 1180 C ARG A 76 -9.909 9.588 -12.595 1.00 24.02 C ATOM 1181 O ARG A 76 -8.926 10.223 -12.978 1.00 1.51 O ATOM 1182 CB ARG A 76 -12.311 10.088 -13.077 1.00 51.15 C ATOM 1183 CG ARG A 76 -13.231 10.499 -14.217 1.00 3.22 C ATOM 1184 CD ARG A 76 -14.219 11.568 -13.776 1.00 44.12 C ATOM 1185 NE ARG A 76 -15.372 11.648 -14.670 1.00 2.34 N ATOM 1186 CZ ARG A 76 -15.343 12.250 -15.854 1.00 30.31 C ATOM 1187 NH1 ARG A 76 -14.227 12.820 -16.285 1.00 4.03 N ATOM 1188 NH2 ARG A 76 -16.434 12.281 -16.609 1.00 42.20 N ATOM 0 H ARG A 76 -12.303 7.631 -13.277 1.00 14.52 H new ATOM 0 HA ARG A 76 -10.800 9.641 -14.539 1.00 20.02 H new ATOM 0 HB2 ARG A 76 -12.872 9.476 -12.370 1.00 51.15 H new ATOM 0 HB3 ARG A 76 -11.989 10.981 -12.541 1.00 51.15 H new ATOM 0 HG2 ARG A 76 -12.636 10.873 -15.050 1.00 3.22 H new ATOM 0 HG3 ARG A 76 -13.775 9.627 -14.580 1.00 3.22 H new ATOM 0 HD2 ARG A 76 -14.559 11.352 -12.763 1.00 44.12 H new ATOM 0 HD3 ARG A 76 -13.717 12.535 -13.744 1.00 44.12 H new ATOM 0 HE ARG A 76 -16.247 11.218 -14.369 1.00 2.34 H new ATOM 0 HH11 ARG A 76 -13.387 12.797 -15.707 1.00 4.03 H new ATOM 0 HH12 ARG A 76 -14.208 13.281 -17.195 1.00 4.03 H new ATOM 0 HH21 ARG A 76 -17.294 11.843 -16.280 1.00 42.20 H new ATOM 0 HH22 ARG A 76 -16.412 12.743 -17.518 1.00 42.20 H new ATOM 1202 N SER A 77 -10.024 9.108 -11.361 1.00 74.01 N ATOM 1203 CA SER A 77 -8.980 9.307 -10.362 1.00 41.03 C ATOM 1204 C SER A 77 -7.618 8.888 -10.908 1.00 54.23 C ATOM 1205 O SER A 77 -6.642 9.634 -10.815 1.00 35.43 O ATOM 1206 CB SER A 77 -9.300 8.513 -9.094 1.00 63.05 C ATOM 1207 OG SER A 77 -10.092 9.277 -8.201 1.00 20.22 O ATOM 0 H SER A 77 -10.830 8.578 -11.029 1.00 74.01 H new ATOM 0 HA SER A 77 -8.943 10.369 -10.118 1.00 41.03 H new ATOM 0 HB2 SER A 77 -9.826 7.596 -9.358 1.00 63.05 H new ATOM 0 HB3 SER A 77 -8.373 8.218 -8.602 1.00 63.05 H new ATOM 0 HG SER A 77 -10.285 8.747 -7.399 1.00 20.22 H new ATOM 1213 N LEU A 78 -7.561 7.690 -11.479 1.00 62.32 N ATOM 1214 CA LEU A 78 -6.319 7.169 -12.042 1.00 53.51 C ATOM 1215 C LEU A 78 -5.773 8.106 -13.114 1.00 71.32 C ATOM 1216 O LEU A 78 -4.621 8.537 -13.049 1.00 65.41 O ATOM 1217 CB LEU A 78 -6.549 5.777 -12.633 1.00 44.12 C ATOM 1218 CG LEU A 78 -5.989 4.605 -11.826 1.00 32.25 C ATOM 1219 CD1 LEU A 78 -4.503 4.796 -11.566 1.00 45.32 C ATOM 1220 CD2 LEU A 78 -6.745 4.452 -10.514 1.00 34.13 C ATOM 0 H LEU A 78 -8.359 7.061 -11.565 1.00 62.32 H new ATOM 0 HA LEU A 78 -5.585 7.099 -11.239 1.00 53.51 H new ATOM 0 HB2 LEU A 78 -7.622 5.629 -12.755 1.00 44.12 H new ATOM 0 HB3 LEU A 78 -6.108 5.750 -13.629 1.00 44.12 H new ATOM 0 HG LEU A 78 -6.121 3.693 -12.408 1.00 32.25 H new ATOM 0 HD11 LEU A 78 -4.123 3.952 -10.991 1.00 45.32 H new ATOM 0 HD12 LEU A 78 -3.972 4.856 -12.516 1.00 45.32 H new ATOM 0 HD13 LEU A 78 -4.347 5.717 -11.005 1.00 45.32 H new ATOM 0 HD21 LEU A 78 -6.333 3.613 -9.953 1.00 34.13 H new ATOM 0 HD22 LEU A 78 -6.645 5.365 -9.928 1.00 34.13 H new ATOM 0 HD23 LEU A 78 -7.799 4.268 -10.721 1.00 34.13 H new ATOM 1232 N TYR A 79 -6.607 8.419 -14.100 1.00 5.32 N ATOM 1233 CA TYR A 79 -6.207 9.305 -15.186 1.00 45.14 C ATOM 1234 C TYR A 79 -5.619 10.604 -14.643 1.00 64.34 C ATOM 1235 O TYR A 79 -4.468 10.940 -14.920 1.00 12.53 O ATOM 1236 CB TYR A 79 -7.404 9.612 -16.089 1.00 23.03 C ATOM 1237 CG TYR A 79 -7.015 10.118 -17.460 1.00 22.23 C ATOM 1238 CD1 TYR A 79 -6.224 9.349 -18.306 1.00 12.11 C ATOM 1239 CD2 TYR A 79 -7.436 11.363 -17.908 1.00 11.12 C ATOM 1240 CE1 TYR A 79 -5.866 9.807 -19.560 1.00 32.22 C ATOM 1241 CE2 TYR A 79 -7.083 11.828 -19.160 1.00 41.35 C ATOM 1242 CZ TYR A 79 -6.298 11.046 -19.982 1.00 40.04 C ATOM 1243 OH TYR A 79 -5.943 11.506 -21.230 1.00 15.11 O ATOM 0 H TYR A 79 -7.564 8.072 -14.169 1.00 5.32 H new ATOM 0 HA TYR A 79 -5.440 8.797 -15.770 1.00 45.14 H new ATOM 0 HB2 TYR A 79 -8.005 8.709 -16.201 1.00 23.03 H new ATOM 0 HB3 TYR A 79 -8.034 10.356 -15.602 1.00 23.03 H new ATOM 0 HD1 TYR A 79 -5.884 8.378 -17.978 1.00 12.11 H new ATOM 0 HD2 TYR A 79 -8.050 11.978 -17.267 1.00 11.12 H new ATOM 0 HE1 TYR A 79 -5.251 9.197 -20.206 1.00 32.22 H new ATOM 0 HE2 TYR A 79 -7.420 12.798 -19.494 1.00 41.35 H new ATOM 0 HH TYR A 79 -6.330 12.395 -21.373 1.00 15.11 H new ATOM 1253 N ASN A 80 -6.418 11.328 -13.867 1.00 11.23 N ATOM 1254 CA ASN A 80 -5.979 12.590 -13.283 1.00 4.30 C ATOM 1255 C ASN A 80 -4.631 12.427 -12.585 1.00 72.11 C ATOM 1256 O ASN A 80 -3.674 13.142 -12.883 1.00 2.01 O ATOM 1257 CB ASN A 80 -7.020 13.107 -12.290 1.00 71.11 C ATOM 1258 CG ASN A 80 -8.373 13.337 -12.937 1.00 62.45 C ATOM 1259 OD1 ASN A 80 -9.403 12.908 -12.417 1.00 11.04 O ATOM 1260 ND2 ASN A 80 -8.375 14.015 -14.079 1.00 63.10 N ATOM 0 H ASN A 80 -7.373 11.062 -13.628 1.00 11.23 H new ATOM 0 HA ASN A 80 -5.866 13.314 -14.090 1.00 4.30 H new ATOM 0 HB2 ASN A 80 -7.127 12.391 -11.475 1.00 71.11 H new ATOM 0 HB3 ASN A 80 -6.667 14.040 -11.851 1.00 71.11 H new ATOM 0 HD21 ASN A 80 -9.255 14.199 -14.561 1.00 63.10 H new ATOM 0 HD22 ASN A 80 -7.497 14.352 -14.474 1.00 63.10 H new ATOM 1267 N THR A 81 -4.564 11.479 -11.655 1.00 51.34 N ATOM 1268 CA THR A 81 -3.336 11.221 -10.914 1.00 71.24 C ATOM 1269 C THR A 81 -2.180 10.908 -11.858 1.00 20.20 C ATOM 1270 O THR A 81 -1.187 11.634 -11.900 1.00 42.23 O ATOM 1271 CB THR A 81 -3.510 10.051 -9.928 1.00 40.33 C ATOM 1272 OG1 THR A 81 -4.649 10.281 -9.092 1.00 10.13 O ATOM 1273 CG2 THR A 81 -2.268 9.880 -9.066 1.00 42.24 C ATOM 0 H THR A 81 -5.346 10.877 -11.397 1.00 51.34 H new ATOM 0 HA THR A 81 -3.109 12.128 -10.353 1.00 71.24 H new ATOM 0 HB THR A 81 -3.661 9.138 -10.504 1.00 40.33 H new ATOM 0 HG1 THR A 81 -5.469 10.147 -9.612 1.00 10.13 H new ATOM 0 HG21 THR A 81 -2.415 9.048 -8.378 1.00 42.24 H new ATOM 0 HG22 THR A 81 -1.408 9.676 -9.704 1.00 42.24 H new ATOM 0 HG23 THR A 81 -2.091 10.793 -8.498 1.00 42.24 H new ATOM 1281 N ILE A 82 -2.317 9.824 -12.614 1.00 21.22 N ATOM 1282 CA ILE A 82 -1.284 9.416 -13.558 1.00 62.24 C ATOM 1283 C ILE A 82 -0.808 10.598 -14.396 1.00 33.14 C ATOM 1284 O ILE A 82 0.392 10.798 -14.580 1.00 11.20 O ATOM 1285 CB ILE A 82 -1.788 8.305 -14.499 1.00 23.43 C ATOM 1286 CG1 ILE A 82 -2.203 7.074 -13.691 1.00 25.53 C ATOM 1287 CG2 ILE A 82 -0.713 7.943 -15.512 1.00 61.43 C ATOM 1288 CD1 ILE A 82 -3.215 6.200 -14.399 1.00 13.31 C ATOM 0 H ILE A 82 -3.133 9.213 -12.591 1.00 21.22 H new ATOM 0 HA ILE A 82 -0.452 9.032 -12.968 1.00 62.24 H new ATOM 0 HB ILE A 82 -2.660 8.673 -15.040 1.00 23.43 H new ATOM 0 HG12 ILE A 82 -1.316 6.481 -13.467 1.00 25.53 H new ATOM 0 HG13 ILE A 82 -2.619 7.399 -12.737 1.00 25.53 H new ATOM 0 HG21 ILE A 82 -1.083 7.157 -16.170 1.00 61.43 H new ATOM 0 HG22 ILE A 82 -0.460 8.823 -16.104 1.00 61.43 H new ATOM 0 HG23 ILE A 82 0.176 7.590 -14.989 1.00 61.43 H new ATOM 0 HD11 ILE A 82 -3.463 5.346 -13.768 1.00 13.31 H new ATOM 0 HD12 ILE A 82 -4.117 6.778 -14.600 1.00 13.31 H new ATOM 0 HD13 ILE A 82 -2.794 5.845 -15.340 1.00 13.31 H new ATOM 1300 N ALA A 83 -1.757 11.380 -14.900 1.00 20.31 N ATOM 1301 CA ALA A 83 -1.435 12.544 -15.715 1.00 22.11 C ATOM 1302 C ALA A 83 -0.391 13.421 -15.032 1.00 12.55 C ATOM 1303 O ALA A 83 0.625 13.775 -15.629 1.00 73.40 O ATOM 1304 CB ALA A 83 -2.693 13.348 -16.007 1.00 41.30 C ATOM 0 H ALA A 83 -2.756 11.228 -14.758 1.00 20.31 H new ATOM 0 HA ALA A 83 -1.015 12.192 -16.657 1.00 22.11 H new ATOM 0 HB1 ALA A 83 -2.438 14.215 -16.617 1.00 41.30 H new ATOM 0 HB2 ALA A 83 -3.407 12.724 -16.544 1.00 41.30 H new ATOM 0 HB3 ALA A 83 -3.137 13.682 -15.069 1.00 41.30 H new ATOM 1310 N VAL A 84 -0.650 13.770 -13.775 1.00 23.20 N ATOM 1311 CA VAL A 84 0.267 14.605 -13.009 1.00 44.12 C ATOM 1312 C VAL A 84 1.638 13.948 -12.888 1.00 2.30 C ATOM 1313 O VAL A 84 2.669 14.605 -13.038 1.00 1.15 O ATOM 1314 CB VAL A 84 -0.279 14.893 -11.599 1.00 34.25 C ATOM 1315 CG1 VAL A 84 0.694 15.759 -10.814 1.00 40.24 C ATOM 1316 CG2 VAL A 84 -1.647 15.553 -11.682 1.00 22.45 C ATOM 0 H VAL A 84 -1.488 13.487 -13.266 1.00 23.20 H new ATOM 0 HA VAL A 84 0.365 15.546 -13.551 1.00 44.12 H new ATOM 0 HB VAL A 84 -0.390 13.946 -11.071 1.00 34.25 H new ATOM 0 HG11 VAL A 84 0.290 15.951 -9.820 1.00 40.24 H new ATOM 0 HG12 VAL A 84 1.649 15.242 -10.723 1.00 40.24 H new ATOM 0 HG13 VAL A 84 0.841 16.705 -11.335 1.00 40.24 H new ATOM 0 HG21 VAL A 84 -2.018 15.749 -10.676 1.00 22.45 H new ATOM 0 HG22 VAL A 84 -1.565 16.493 -12.228 1.00 22.45 H new ATOM 0 HG23 VAL A 84 -2.340 14.891 -12.201 1.00 22.45 H new ATOM 1326 N LEU A 85 1.642 12.648 -12.615 1.00 13.10 N ATOM 1327 CA LEU A 85 2.887 11.900 -12.474 1.00 13.33 C ATOM 1328 C LEU A 85 3.745 12.029 -13.728 1.00 1.43 C ATOM 1329 O LEU A 85 4.904 12.440 -13.660 1.00 74.54 O ATOM 1330 CB LEU A 85 2.589 10.426 -12.194 1.00 62.23 C ATOM 1331 CG LEU A 85 3.463 9.754 -11.134 1.00 3.14 C ATOM 1332 CD1 LEU A 85 2.638 9.405 -9.906 1.00 13.23 C ATOM 1333 CD2 LEU A 85 4.130 8.511 -11.702 1.00 71.43 C ATOM 0 H LEU A 85 0.798 12.090 -12.487 1.00 13.10 H new ATOM 0 HA LEU A 85 3.441 12.318 -11.634 1.00 13.33 H new ATOM 0 HB2 LEU A 85 1.547 10.339 -11.886 1.00 62.23 H new ATOM 0 HB3 LEU A 85 2.693 9.871 -13.127 1.00 62.23 H new ATOM 0 HG LEU A 85 4.242 10.455 -10.836 1.00 3.14 H new ATOM 0 HD11 LEU A 85 3.276 8.928 -9.162 1.00 13.23 H new ATOM 0 HD12 LEU A 85 2.209 10.314 -9.486 1.00 13.23 H new ATOM 0 HD13 LEU A 85 1.837 8.722 -10.188 1.00 13.23 H new ATOM 0 HD21 LEU A 85 4.748 8.046 -10.934 1.00 71.43 H new ATOM 0 HD22 LEU A 85 3.366 7.806 -12.029 1.00 71.43 H new ATOM 0 HD23 LEU A 85 4.755 8.789 -12.551 1.00 71.43 H new ATOM 1345 N TYR A 86 3.168 11.678 -14.872 1.00 12.41 N ATOM 1346 CA TYR A 86 3.880 11.754 -16.142 1.00 14.31 C ATOM 1347 C TYR A 86 4.501 13.134 -16.336 1.00 62.25 C ATOM 1348 O TYR A 86 5.659 13.254 -16.739 1.00 4.34 O ATOM 1349 CB TYR A 86 2.933 11.441 -17.301 1.00 14.32 C ATOM 1350 CG TYR A 86 3.508 11.772 -18.660 1.00 1.04 C ATOM 1351 CD1 TYR A 86 4.459 10.950 -19.252 1.00 73.10 C ATOM 1352 CD2 TYR A 86 3.099 12.906 -19.351 1.00 22.30 C ATOM 1353 CE1 TYR A 86 4.988 11.250 -20.493 1.00 32.30 C ATOM 1354 CE2 TYR A 86 3.622 13.212 -20.593 1.00 72.30 C ATOM 1355 CZ TYR A 86 4.566 12.381 -21.159 1.00 70.32 C ATOM 1356 OH TYR A 86 5.089 12.681 -22.397 1.00 31.14 O ATOM 0 H TYR A 86 2.209 11.338 -14.946 1.00 12.41 H new ATOM 0 HA TYR A 86 4.680 11.014 -16.126 1.00 14.31 H new ATOM 0 HB2 TYR A 86 2.676 10.382 -17.273 1.00 14.32 H new ATOM 0 HB3 TYR A 86 2.006 11.998 -17.162 1.00 14.32 H new ATOM 0 HD1 TYR A 86 4.790 10.062 -18.734 1.00 73.10 H new ATOM 0 HD2 TYR A 86 2.360 13.559 -18.910 1.00 22.30 H new ATOM 0 HE1 TYR A 86 5.728 10.602 -20.939 1.00 32.30 H new ATOM 0 HE2 TYR A 86 3.293 14.097 -21.118 1.00 72.30 H new ATOM 0 HH TYR A 86 4.686 13.510 -22.730 1.00 31.14 H new ATOM 1366 N CYS A 87 3.723 14.171 -16.048 1.00 54.11 N ATOM 1367 CA CYS A 87 4.195 15.544 -16.192 1.00 21.34 C ATOM 1368 C CYS A 87 5.366 15.817 -15.253 1.00 64.44 C ATOM 1369 O CYS A 87 6.208 16.673 -15.526 1.00 65.02 O ATOM 1370 CB CYS A 87 3.059 16.528 -15.908 1.00 3.41 C ATOM 1371 SG CYS A 87 1.932 16.774 -17.299 1.00 41.22 S ATOM 0 H CYS A 87 2.763 14.088 -15.714 1.00 54.11 H new ATOM 0 HA CYS A 87 4.536 15.679 -17.218 1.00 21.34 H new ATOM 0 HB2 CYS A 87 2.489 16.170 -15.051 1.00 3.41 H new ATOM 0 HB3 CYS A 87 3.488 17.490 -15.627 1.00 3.41 H new ATOM 0 HG CYS A 87 1.005 17.620 -16.962 1.00 41.22 H new ATOM 1377 N VAL A 88 5.413 15.084 -14.145 1.00 0.01 N ATOM 1378 CA VAL A 88 6.481 15.247 -13.166 1.00 2.25 C ATOM 1379 C VAL A 88 7.790 14.656 -13.676 1.00 42.13 C ATOM 1380 O VAL A 88 8.868 15.187 -13.409 1.00 64.22 O ATOM 1381 CB VAL A 88 6.118 14.581 -11.825 1.00 0.54 C ATOM 1382 CG1 VAL A 88 7.266 14.715 -10.835 1.00 73.41 C ATOM 1383 CG2 VAL A 88 4.842 15.185 -11.258 1.00 53.33 C ATOM 0 H VAL A 88 4.724 14.372 -13.903 1.00 0.01 H new ATOM 0 HA VAL A 88 6.607 16.318 -13.010 1.00 2.25 H new ATOM 0 HB VAL A 88 5.943 13.520 -12.002 1.00 0.54 H new ATOM 0 HG11 VAL A 88 6.992 14.239 -9.894 1.00 73.41 H new ATOM 0 HG12 VAL A 88 8.155 14.232 -11.241 1.00 73.41 H new ATOM 0 HG13 VAL A 88 7.475 15.771 -10.661 1.00 73.41 H new ATOM 0 HG21 VAL A 88 4.601 14.703 -10.311 1.00 53.33 H new ATOM 0 HG22 VAL A 88 4.986 16.253 -11.095 1.00 53.33 H new ATOM 0 HG23 VAL A 88 4.023 15.033 -11.962 1.00 53.33 H new ATOM 1393 N HIS A 89 7.688 13.555 -14.413 1.00 24.31 N ATOM 1394 CA HIS A 89 8.865 12.890 -14.963 1.00 75.11 C ATOM 1395 C HIS A 89 9.417 13.666 -16.156 1.00 22.23 C ATOM 1396 O HIS A 89 10.637 13.663 -16.316 1.00 30.25 O ATOM 1397 CB HIS A 89 8.520 11.461 -15.385 1.00 1.32 C ATOM 1398 CG HIS A 89 8.414 10.507 -14.236 1.00 14.43 C ATOM 1399 ND1 HIS A 89 9.152 10.638 -13.078 1.00 73.33 N ATOM 1400 CD2 HIS A 89 7.649 9.403 -14.070 1.00 11.25 C ATOM 1401 CE1 HIS A 89 8.845 9.655 -12.251 1.00 32.24 C ATOM 1402 NE2 HIS A 89 7.934 8.891 -12.828 1.00 41.52 N ATOM 0 H HIS A 89 6.803 13.104 -14.644 1.00 24.31 H new ATOM 0 HA HIS A 89 9.630 12.856 -14.187 1.00 75.11 H new ATOM 0 HB2 HIS A 89 7.575 11.469 -15.928 1.00 1.32 H new ATOM 0 HB3 HIS A 89 9.282 11.101 -16.076 1.00 1.32 H new ATOM 0 HD1 HIS A 89 9.829 11.378 -12.890 1.00 73.33 H new ATOM 0 HD2 HIS A 89 6.945 8.999 -14.782 1.00 11.25 H new ATOM 0 HE1 HIS A 89 9.267 9.501 -11.269 1.00 32.24 H new ATOM 0 HE2 HIS A 89 7.512 8.058 -12.418 1.00 41.52 H new ATOM 1411 N GLN A 90 8.581 14.306 -16.967 1.00 61.15 N ATOM 1412 CA GLN A 90 9.063 15.059 -18.120 1.00 4.12 C ATOM 1413 C GLN A 90 9.540 16.446 -17.703 1.00 14.21 C ATOM 1414 O GLN A 90 9.793 17.306 -18.547 1.00 60.12 O ATOM 1415 CB GLN A 90 7.962 15.179 -19.174 1.00 11.32 C ATOM 1416 CG GLN A 90 8.485 15.480 -20.570 1.00 13.43 C ATOM 1417 CD GLN A 90 9.395 14.390 -21.098 1.00 51.20 C ATOM 1418 OE1 GLN A 90 8.936 13.421 -21.704 1.00 15.05 O ATOM 1419 NE2 GLN A 90 10.695 14.543 -20.873 1.00 75.21 N ATOM 0 H GLN A 90 7.568 14.319 -16.848 1.00 61.15 H new ATOM 0 HA GLN A 90 9.907 14.519 -18.548 1.00 4.12 H new ATOM 0 HB2 GLN A 90 7.394 14.249 -19.201 1.00 11.32 H new ATOM 0 HB3 GLN A 90 7.270 15.967 -18.877 1.00 11.32 H new ATOM 0 HG2 GLN A 90 7.643 15.606 -21.250 1.00 13.43 H new ATOM 0 HG3 GLN A 90 9.027 16.425 -20.555 1.00 13.43 H new ATOM 0 HE21 GLN A 90 11.032 15.362 -20.366 1.00 75.21 H new ATOM 0 HE22 GLN A 90 11.356 13.842 -21.207 1.00 75.21 H new ATOM 1428 N ARG A 91 9.657 16.658 -16.397 1.00 4.23 N ATOM 1429 CA ARG A 91 10.101 17.943 -15.868 1.00 32.44 C ATOM 1430 C ARG A 91 9.108 19.048 -16.219 1.00 23.41 C ATOM 1431 O ARG A 91 9.501 20.141 -16.625 1.00 44.40 O ATOM 1432 CB ARG A 91 11.486 18.293 -16.415 1.00 73.01 C ATOM 1433 CG ARG A 91 12.258 19.265 -15.539 1.00 44.43 C ATOM 1434 CD ARG A 91 13.531 18.636 -14.998 1.00 24.33 C ATOM 1435 NE ARG A 91 14.711 19.042 -15.757 1.00 1.43 N ATOM 1436 CZ ARG A 91 15.955 18.756 -15.391 1.00 42.32 C ATOM 1437 NH1 ARG A 91 16.182 18.067 -14.282 1.00 22.24 N ATOM 1438 NH2 ARG A 91 16.976 19.162 -16.136 1.00 23.10 N ATOM 0 H ARG A 91 9.451 15.957 -15.685 1.00 4.23 H new ATOM 0 HA ARG A 91 10.157 17.861 -14.783 1.00 32.44 H new ATOM 0 HB2 ARG A 91 12.066 17.377 -16.525 1.00 73.01 H new ATOM 0 HB3 ARG A 91 11.376 18.723 -17.411 1.00 73.01 H new ATOM 0 HG2 ARG A 91 12.507 20.156 -16.115 1.00 44.43 H new ATOM 0 HG3 ARG A 91 11.629 19.587 -14.709 1.00 44.43 H new ATOM 0 HD2 ARG A 91 13.658 18.918 -13.953 1.00 24.33 H new ATOM 0 HD3 ARG A 91 13.438 17.550 -15.026 1.00 24.33 H new ATOM 0 HE ARG A 91 14.572 19.575 -16.616 1.00 1.43 H new ATOM 0 HH11 ARG A 91 15.400 17.755 -13.707 1.00 22.24 H new ATOM 0 HH12 ARG A 91 17.139 17.849 -14.004 1.00 22.24 H new ATOM 0 HH21 ARG A 91 16.805 19.694 -16.990 1.00 23.10 H new ATOM 0 HH22 ARG A 91 17.932 18.942 -15.855 1.00 23.10 H new ATOM 1452 N ILE A 92 7.822 18.753 -16.061 1.00 64.41 N ATOM 1453 CA ILE A 92 6.775 19.721 -16.362 1.00 10.42 C ATOM 1454 C ILE A 92 6.067 20.177 -15.090 1.00 33.24 C ATOM 1455 O ILE A 92 5.545 19.360 -14.332 1.00 33.13 O ATOM 1456 CB ILE A 92 5.734 19.140 -17.335 1.00 71.51 C ATOM 1457 CG1 ILE A 92 6.409 18.699 -18.636 1.00 43.51 C ATOM 1458 CG2 ILE A 92 4.644 20.163 -17.618 1.00 14.02 C ATOM 1459 CD1 ILE A 92 5.464 18.039 -19.614 1.00 41.22 C ATOM 0 H ILE A 92 7.480 17.852 -15.726 1.00 64.41 H new ATOM 0 HA ILE A 92 7.261 20.576 -16.832 1.00 10.42 H new ATOM 0 HB ILE A 92 5.274 18.267 -16.872 1.00 71.51 H new ATOM 0 HG12 ILE A 92 6.863 19.568 -19.112 1.00 43.51 H new ATOM 0 HG13 ILE A 92 7.217 18.006 -18.400 1.00 43.51 H new ATOM 0 HG21 ILE A 92 3.915 19.737 -18.308 1.00 14.02 H new ATOM 0 HG22 ILE A 92 4.147 20.432 -16.686 1.00 14.02 H new ATOM 0 HG23 ILE A 92 5.088 21.054 -18.063 1.00 14.02 H new ATOM 0 HD11 ILE A 92 6.011 17.753 -20.512 1.00 41.22 H new ATOM 0 HD12 ILE A 92 5.028 17.151 -19.156 1.00 41.22 H new ATOM 0 HD13 ILE A 92 4.670 18.737 -19.880 1.00 41.22 H new ATOM 1471 N ASP A 93 6.053 21.485 -14.865 1.00 12.43 N ATOM 1472 CA ASP A 93 5.405 22.051 -13.687 1.00 24.14 C ATOM 1473 C ASP A 93 4.039 22.630 -14.042 1.00 4.12 C ATOM 1474 O ASP A 93 3.931 23.524 -14.882 1.00 23.42 O ATOM 1475 CB ASP A 93 6.287 23.135 -13.065 1.00 51.51 C ATOM 1476 CG ASP A 93 6.713 24.184 -14.075 1.00 20.05 C ATOM 1477 OD1 ASP A 93 7.646 23.910 -14.859 1.00 34.23 O ATOM 1478 OD2 ASP A 93 6.112 25.279 -14.082 1.00 22.45 O ATOM 0 H ASP A 93 6.483 22.174 -15.482 1.00 12.43 H new ATOM 0 HA ASP A 93 5.262 21.250 -12.962 1.00 24.14 H new ATOM 0 HB2 ASP A 93 5.746 23.617 -12.251 1.00 51.51 H new ATOM 0 HB3 ASP A 93 7.173 22.673 -12.629 1.00 51.51 H new ATOM 1483 N VAL A 94 2.998 22.115 -13.396 1.00 74.01 N ATOM 1484 CA VAL A 94 1.639 22.580 -13.644 1.00 15.13 C ATOM 1485 C VAL A 94 1.095 23.351 -12.447 1.00 11.32 C ATOM 1486 O VAL A 94 1.656 23.296 -11.352 1.00 13.25 O ATOM 1487 CB VAL A 94 0.691 21.406 -13.957 1.00 43.24 C ATOM 1488 CG1 VAL A 94 1.122 20.699 -15.233 1.00 42.52 C ATOM 1489 CG2 VAL A 94 0.645 20.433 -12.789 1.00 11.43 C ATOM 0 H VAL A 94 3.070 21.376 -12.697 1.00 74.01 H new ATOM 0 HA VAL A 94 1.685 23.241 -14.509 1.00 15.13 H new ATOM 0 HB VAL A 94 -0.313 21.802 -14.110 1.00 43.24 H new ATOM 0 HG11 VAL A 94 0.442 19.873 -15.439 1.00 42.52 H new ATOM 0 HG12 VAL A 94 1.100 21.403 -16.065 1.00 42.52 H new ATOM 0 HG13 VAL A 94 2.134 20.314 -15.111 1.00 42.52 H new ATOM 0 HG21 VAL A 94 -0.029 19.610 -13.027 1.00 11.43 H new ATOM 0 HG22 VAL A 94 1.645 20.041 -12.603 1.00 11.43 H new ATOM 0 HG23 VAL A 94 0.286 20.950 -11.899 1.00 11.43 H new ATOM 1499 N LYS A 95 0.000 24.071 -12.662 1.00 15.24 N ATOM 1500 CA LYS A 95 -0.623 24.854 -11.600 1.00 62.33 C ATOM 1501 C LYS A 95 -1.592 23.999 -10.791 1.00 33.32 C ATOM 1502 O LYS A 95 -1.989 24.369 -9.685 1.00 43.41 O ATOM 1503 CB LYS A 95 -1.360 26.058 -12.191 1.00 72.23 C ATOM 1504 CG LYS A 95 -0.724 27.393 -11.841 1.00 21.45 C ATOM 1505 CD LYS A 95 -0.868 27.706 -10.361 1.00 25.01 C ATOM 1506 CE LYS A 95 0.351 28.443 -9.827 1.00 4.33 C ATOM 1507 NZ LYS A 95 0.262 29.910 -10.067 1.00 32.00 N ATOM 0 H LYS A 95 -0.475 24.129 -13.563 1.00 15.24 H new ATOM 0 HA LYS A 95 0.164 25.208 -10.935 1.00 62.33 H new ATOM 0 HB2 LYS A 95 -1.395 25.955 -13.276 1.00 72.23 H new ATOM 0 HB3 LYS A 95 -2.391 26.052 -11.837 1.00 72.23 H new ATOM 0 HG2 LYS A 95 0.332 27.376 -12.109 1.00 21.45 H new ATOM 0 HG3 LYS A 95 -1.189 28.184 -12.429 1.00 21.45 H new ATOM 0 HD2 LYS A 95 -1.760 28.312 -10.201 1.00 25.01 H new ATOM 0 HD3 LYS A 95 -1.008 26.780 -9.804 1.00 25.01 H new ATOM 0 HE2 LYS A 95 0.449 28.255 -8.758 1.00 4.33 H new ATOM 0 HE3 LYS A 95 1.250 28.051 -10.303 1.00 4.33 H new ATOM 0 HZ1 LYS A 95 1.111 30.376 -9.689 1.00 32.00 H new ATOM 0 HZ2 LYS A 95 0.194 30.091 -11.089 1.00 32.00 H new ATOM 0 HZ3 LYS A 95 -0.582 30.289 -9.591 1.00 32.00 H new ATOM 1521 N ASP A 96 -1.970 22.853 -11.347 1.00 62.31 N ATOM 1522 CA ASP A 96 -2.892 21.944 -10.676 1.00 4.15 C ATOM 1523 C ASP A 96 -3.169 20.716 -11.537 1.00 53.14 C ATOM 1524 O ASP A 96 -2.675 20.608 -12.661 1.00 54.01 O ATOM 1525 CB ASP A 96 -4.202 22.661 -10.350 1.00 74.41 C ATOM 1526 CG ASP A 96 -4.649 23.587 -11.465 1.00 23.10 C ATOM 1527 OD1 ASP A 96 -5.009 23.082 -12.548 1.00 74.44 O ATOM 1528 OD2 ASP A 96 -4.637 24.817 -11.253 1.00 53.42 O ATOM 0 H ASP A 96 -1.652 22.531 -12.261 1.00 62.31 H new ATOM 0 HA ASP A 96 -2.427 21.615 -9.747 1.00 4.15 H new ATOM 0 HB2 ASP A 96 -4.980 21.922 -10.162 1.00 74.41 H new ATOM 0 HB3 ASP A 96 -4.080 23.235 -9.432 1.00 74.41 H new ATOM 1533 N THR A 97 -3.962 19.792 -11.005 1.00 23.24 N ATOM 1534 CA THR A 97 -4.304 18.571 -11.724 1.00 45.04 C ATOM 1535 C THR A 97 -5.120 18.879 -12.973 1.00 13.52 C ATOM 1536 O THR A 97 -5.357 18.003 -13.805 1.00 35.24 O ATOM 1537 CB THR A 97 -5.096 17.597 -10.832 1.00 42.23 C ATOM 1538 OG1 THR A 97 -4.400 17.384 -9.600 1.00 22.23 O ATOM 1539 CG2 THR A 97 -5.306 16.265 -11.539 1.00 5.51 C ATOM 0 H THR A 97 -4.380 19.866 -10.078 1.00 23.24 H new ATOM 0 HA THR A 97 -3.364 18.102 -12.015 1.00 45.04 H new ATOM 0 HB THR A 97 -6.071 18.039 -10.626 1.00 42.23 H new ATOM 0 HG1 THR A 97 -4.087 18.243 -9.248 1.00 22.23 H new ATOM 0 HG21 THR A 97 -5.868 15.593 -10.890 1.00 5.51 H new ATOM 0 HG22 THR A 97 -5.862 16.427 -12.462 1.00 5.51 H new ATOM 0 HG23 THR A 97 -4.339 15.820 -11.772 1.00 5.51 H new ATOM 1547 N LYS A 98 -5.550 20.131 -13.100 1.00 71.45 N ATOM 1548 CA LYS A 98 -6.340 20.556 -14.250 1.00 30.55 C ATOM 1549 C LYS A 98 -5.438 20.916 -15.426 1.00 13.21 C ATOM 1550 O LYS A 98 -5.565 20.352 -16.512 1.00 15.11 O ATOM 1551 CB LYS A 98 -7.215 21.755 -13.877 1.00 42.42 C ATOM 1552 CG LYS A 98 -8.674 21.586 -14.262 1.00 2.44 C ATOM 1553 CD LYS A 98 -9.337 20.479 -13.461 1.00 70.25 C ATOM 1554 CE LYS A 98 -10.567 19.935 -14.173 1.00 44.22 C ATOM 1555 NZ LYS A 98 -11.520 21.019 -14.538 1.00 43.34 N ATOM 0 H LYS A 98 -5.364 20.869 -12.420 1.00 71.45 H new ATOM 0 HA LYS A 98 -6.980 19.726 -14.548 1.00 30.55 H new ATOM 0 HB2 LYS A 98 -7.149 21.922 -12.802 1.00 42.42 H new ATOM 0 HB3 LYS A 98 -6.821 22.647 -14.363 1.00 42.42 H new ATOM 0 HG2 LYS A 98 -9.205 22.523 -14.098 1.00 2.44 H new ATOM 0 HG3 LYS A 98 -8.747 21.360 -15.326 1.00 2.44 H new ATOM 0 HD2 LYS A 98 -8.624 19.671 -13.296 1.00 70.25 H new ATOM 0 HD3 LYS A 98 -9.622 20.859 -12.480 1.00 70.25 H new ATOM 0 HE2 LYS A 98 -10.260 19.403 -15.073 1.00 44.22 H new ATOM 0 HE3 LYS A 98 -11.069 19.211 -13.530 1.00 44.22 H new ATOM 0 HZ1 LYS A 98 -12.431 20.601 -14.816 1.00 43.34 H new ATOM 0 HZ2 LYS A 98 -11.662 21.646 -13.721 1.00 43.34 H new ATOM 0 HZ3 LYS A 98 -11.134 21.568 -15.332 1.00 43.34 H new ATOM 1569 N GLU A 99 -4.528 21.858 -15.201 1.00 44.31 N ATOM 1570 CA GLU A 99 -3.605 22.293 -16.243 1.00 74.52 C ATOM 1571 C GLU A 99 -2.658 21.162 -16.637 1.00 53.22 C ATOM 1572 O GLU A 99 -2.031 21.204 -17.696 1.00 13.13 O ATOM 1573 CB GLU A 99 -2.800 23.505 -15.770 1.00 74.55 C ATOM 1574 CG GLU A 99 -3.504 24.831 -16.003 1.00 53.42 C ATOM 1575 CD GLU A 99 -3.317 25.352 -17.414 1.00 54.13 C ATOM 1576 OE1 GLU A 99 -2.569 24.718 -18.187 1.00 23.31 O ATOM 1577 OE2 GLU A 99 -3.919 26.395 -17.746 1.00 72.22 O ATOM 0 H GLU A 99 -4.410 22.335 -14.307 1.00 44.31 H new ATOM 0 HA GLU A 99 -4.192 22.575 -17.117 1.00 74.52 H new ATOM 0 HB2 GLU A 99 -2.588 23.397 -14.706 1.00 74.55 H new ATOM 0 HB3 GLU A 99 -1.840 23.517 -16.286 1.00 74.55 H new ATOM 0 HG2 GLU A 99 -4.569 24.713 -15.802 1.00 53.42 H new ATOM 0 HG3 GLU A 99 -3.126 25.568 -15.295 1.00 53.42 H new ATOM 1584 N ALA A 100 -2.561 20.153 -15.778 1.00 74.14 N ATOM 1585 CA ALA A 100 -1.693 19.011 -16.036 1.00 51.11 C ATOM 1586 C ALA A 100 -2.308 18.078 -17.074 1.00 63.23 C ATOM 1587 O ALA A 100 -1.595 17.357 -17.775 1.00 15.42 O ATOM 1588 CB ALA A 100 -1.417 18.256 -14.745 1.00 65.10 C ATOM 0 H ALA A 100 -3.073 20.103 -14.897 1.00 74.14 H new ATOM 0 HA ALA A 100 -0.750 19.386 -16.434 1.00 51.11 H new ATOM 0 HB1 ALA A 100 -0.768 17.406 -14.953 1.00 65.10 H new ATOM 0 HB2 ALA A 100 -0.928 18.920 -14.032 1.00 65.10 H new ATOM 0 HB3 ALA A 100 -2.357 17.900 -14.324 1.00 65.10 H new ATOM 1594 N LEU A 101 -3.632 18.096 -17.168 1.00 74.24 N ATOM 1595 CA LEU A 101 -4.343 17.251 -18.122 1.00 20.30 C ATOM 1596 C LEU A 101 -4.250 17.823 -19.533 1.00 24.43 C ATOM 1597 O LEU A 101 -4.145 17.079 -20.509 1.00 13.33 O ATOM 1598 CB LEU A 101 -5.811 17.109 -17.713 1.00 3.42 C ATOM 1599 CG LEU A 101 -6.378 15.690 -17.730 1.00 34.14 C ATOM 1600 CD1 LEU A 101 -6.294 15.097 -19.128 1.00 3.04 C ATOM 1601 CD2 LEU A 101 -5.643 14.810 -16.729 1.00 62.12 C ATOM 0 H LEU A 101 -4.236 18.686 -16.596 1.00 74.24 H new ATOM 0 HA LEU A 101 -3.874 16.267 -18.117 1.00 20.30 H new ATOM 0 HB2 LEU A 101 -5.928 17.513 -16.708 1.00 3.42 H new ATOM 0 HB3 LEU A 101 -6.414 17.728 -18.378 1.00 3.42 H new ATOM 0 HG LEU A 101 -7.428 15.736 -17.441 1.00 34.14 H new ATOM 0 HD11 LEU A 101 -6.702 14.086 -19.120 1.00 3.04 H new ATOM 0 HD12 LEU A 101 -6.867 15.714 -19.820 1.00 3.04 H new ATOM 0 HD13 LEU A 101 -5.252 15.065 -19.448 1.00 3.04 H new ATOM 0 HD21 LEU A 101 -6.060 13.803 -16.755 1.00 62.12 H new ATOM 0 HD22 LEU A 101 -4.585 14.771 -16.987 1.00 62.12 H new ATOM 0 HD23 LEU A 101 -5.757 15.225 -15.727 1.00 62.12 H new ATOM 1613 N ASP A 102 -4.285 19.147 -19.632 1.00 62.13 N ATOM 1614 CA ASP A 102 -4.200 19.820 -20.923 1.00 62.24 C ATOM 1615 C ASP A 102 -2.769 19.802 -21.452 1.00 32.01 C ATOM 1616 O ASP A 102 -2.531 19.495 -22.621 1.00 33.24 O ATOM 1617 CB ASP A 102 -4.696 21.262 -20.804 1.00 64.10 C ATOM 1618 CG ASP A 102 -4.660 21.997 -22.129 1.00 63.22 C ATOM 1619 OD1 ASP A 102 -3.562 22.432 -22.538 1.00 13.34 O ATOM 1620 OD2 ASP A 102 -5.729 22.136 -22.759 1.00 43.22 O ATOM 0 H ASP A 102 -4.372 19.776 -18.834 1.00 62.13 H new ATOM 0 HA ASP A 102 -4.835 19.283 -21.628 1.00 62.24 H new ATOM 0 HB2 ASP A 102 -5.716 21.262 -20.419 1.00 64.10 H new ATOM 0 HB3 ASP A 102 -4.082 21.796 -20.079 1.00 64.10 H new ATOM 1625 N LYS A 103 -1.819 20.134 -20.585 1.00 61.43 N ATOM 1626 CA LYS A 103 -0.412 20.156 -20.963 1.00 44.14 C ATOM 1627 C LYS A 103 -0.006 18.846 -21.630 1.00 52.21 C ATOM 1628 O LYS A 103 0.769 18.839 -22.587 1.00 71.13 O ATOM 1629 CB LYS A 103 0.464 20.408 -19.734 1.00 64.32 C ATOM 1630 CG LYS A 103 1.420 21.578 -19.896 1.00 12.43 C ATOM 1631 CD LYS A 103 0.694 22.909 -19.782 1.00 23.22 C ATOM 1632 CE LYS A 103 1.144 23.883 -20.859 1.00 44.15 C ATOM 1633 NZ LYS A 103 0.202 25.027 -21.002 1.00 34.22 N ATOM 0 H LYS A 103 -1.999 20.392 -19.615 1.00 61.43 H new ATOM 0 HA LYS A 103 -0.267 20.966 -21.677 1.00 44.14 H new ATOM 0 HB2 LYS A 103 -0.178 20.591 -18.872 1.00 64.32 H new ATOM 0 HB3 LYS A 103 1.039 19.508 -19.517 1.00 64.32 H new ATOM 0 HG2 LYS A 103 2.199 21.521 -19.136 1.00 12.43 H new ATOM 0 HG3 LYS A 103 1.915 21.514 -20.865 1.00 12.43 H new ATOM 0 HD2 LYS A 103 -0.381 22.747 -19.863 1.00 23.22 H new ATOM 0 HD3 LYS A 103 0.878 23.342 -18.799 1.00 23.22 H new ATOM 0 HE2 LYS A 103 2.138 24.259 -20.616 1.00 44.15 H new ATOM 0 HE3 LYS A 103 1.226 23.359 -21.811 1.00 44.15 H new ATOM 0 HZ1 LYS A 103 0.545 25.668 -21.746 1.00 34.22 H new ATOM 0 HZ2 LYS A 103 -0.741 24.671 -21.259 1.00 34.22 H new ATOM 0 HZ3 LYS A 103 0.143 25.543 -20.101 1.00 34.22 H new ATOM 1647 N ILE A 104 -0.535 17.740 -21.120 1.00 72.40 N ATOM 1648 CA ILE A 104 -0.230 16.424 -21.668 1.00 63.23 C ATOM 1649 C ILE A 104 -0.655 16.325 -23.129 1.00 41.42 C ATOM 1650 O ILE A 104 0.090 15.823 -23.970 1.00 31.21 O ATOM 1651 CB ILE A 104 -0.922 15.305 -20.867 1.00 13.42 C ATOM 1652 CG1 ILE A 104 -0.247 15.129 -19.506 1.00 5.44 C ATOM 1653 CG2 ILE A 104 -0.898 14.000 -21.649 1.00 43.11 C ATOM 1654 CD1 ILE A 104 -0.998 14.207 -18.572 1.00 52.13 C ATOM 0 H ILE A 104 -1.177 17.728 -20.328 1.00 72.40 H new ATOM 0 HA ILE A 104 0.850 16.296 -21.596 1.00 63.23 H new ATOM 0 HB ILE A 104 -1.962 15.588 -20.702 1.00 13.42 H new ATOM 0 HG12 ILE A 104 0.759 14.738 -19.657 1.00 5.44 H new ATOM 0 HG13 ILE A 104 -0.142 16.105 -19.033 1.00 5.44 H new ATOM 0 HG21 ILE A 104 -1.391 13.219 -21.069 1.00 43.11 H new ATOM 0 HG22 ILE A 104 -1.421 14.134 -22.596 1.00 43.11 H new ATOM 0 HG23 ILE A 104 0.135 13.711 -21.843 1.00 43.11 H new ATOM 0 HD11 ILE A 104 -0.461 14.130 -17.627 1.00 52.13 H new ATOM 0 HD12 ILE A 104 -1.996 14.607 -18.391 1.00 52.13 H new ATOM 0 HD13 ILE A 104 -1.080 13.219 -19.024 1.00 52.13 H new ATOM 1666 N GLU A 105 -1.857 16.810 -23.425 1.00 1.12 N ATOM 1667 CA GLU A 105 -2.380 16.776 -24.785 1.00 10.31 C ATOM 1668 C GLU A 105 -1.532 17.638 -25.715 1.00 2.42 C ATOM 1669 O GLU A 105 -1.445 17.375 -26.914 1.00 14.53 O ATOM 1670 CB GLU A 105 -3.833 17.258 -24.809 1.00 24.13 C ATOM 1671 CG GLU A 105 -4.809 16.222 -25.337 1.00 70.51 C ATOM 1672 CD GLU A 105 -5.109 16.401 -26.812 1.00 53.23 C ATOM 1673 OE1 GLU A 105 -4.207 16.150 -27.638 1.00 4.23 O ATOM 1674 OE2 GLU A 105 -6.248 16.794 -27.142 1.00 74.30 O ATOM 0 H GLU A 105 -2.486 17.231 -22.741 1.00 1.12 H new ATOM 0 HA GLU A 105 -2.341 15.745 -25.136 1.00 10.31 H new ATOM 0 HB2 GLU A 105 -4.129 17.543 -23.799 1.00 24.13 H new ATOM 0 HB3 GLU A 105 -3.899 18.155 -25.425 1.00 24.13 H new ATOM 0 HG2 GLU A 105 -4.400 15.225 -25.172 1.00 70.51 H new ATOM 0 HG3 GLU A 105 -5.739 16.283 -24.771 1.00 70.51 H new ATOM 1681 N GLU A 106 -0.909 18.670 -25.152 1.00 52.25 N ATOM 1682 CA GLU A 106 -0.069 19.572 -25.932 1.00 70.43 C ATOM 1683 C GLU A 106 1.194 18.861 -26.409 1.00 44.43 C ATOM 1684 O GLU A 106 1.754 19.203 -27.451 1.00 25.43 O ATOM 1685 CB GLU A 106 0.306 20.801 -25.102 1.00 31.13 C ATOM 1686 CG GLU A 106 -0.272 22.099 -25.640 1.00 24.20 C ATOM 1687 CD GLU A 106 0.800 23.067 -26.102 1.00 63.23 C ATOM 1688 OE1 GLU A 106 1.792 22.611 -26.708 1.00 61.42 O ATOM 1689 OE2 GLU A 106 0.646 24.282 -25.858 1.00 71.33 O ATOM 0 H GLU A 106 -0.970 18.901 -24.160 1.00 52.25 H new ATOM 0 HA GLU A 106 -0.637 19.893 -26.805 1.00 70.43 H new ATOM 0 HB2 GLU A 106 -0.039 20.656 -24.078 1.00 31.13 H new ATOM 0 HB3 GLU A 106 1.392 20.885 -25.064 1.00 31.13 H new ATOM 0 HG2 GLU A 106 -0.940 21.878 -26.473 1.00 24.20 H new ATOM 0 HG3 GLU A 106 -0.875 22.573 -24.865 1.00 24.20 H new ATOM 1696 N GLU A 107 1.637 17.873 -25.640 1.00 25.50 N ATOM 1697 CA GLU A 107 2.835 17.115 -25.983 1.00 74.32 C ATOM 1698 C GLU A 107 2.543 16.107 -27.092 1.00 10.35 C ATOM 1699 O GLU A 107 3.397 15.828 -27.931 1.00 4.40 O ATOM 1700 CB GLU A 107 3.378 16.391 -24.750 1.00 71.14 C ATOM 1701 CG GLU A 107 4.896 16.361 -24.681 1.00 63.04 C ATOM 1702 CD GLU A 107 5.449 17.283 -23.612 1.00 44.45 C ATOM 1703 OE1 GLU A 107 5.446 16.887 -22.427 1.00 63.03 O ATOM 1704 OE2 GLU A 107 5.886 18.400 -23.960 1.00 4.54 O ATOM 0 H GLU A 107 1.185 17.578 -24.775 1.00 25.50 H new ATOM 0 HA GLU A 107 3.587 17.817 -26.343 1.00 74.32 H new ATOM 0 HB2 GLU A 107 2.992 16.877 -23.854 1.00 71.14 H new ATOM 0 HB3 GLU A 107 3.002 15.368 -24.745 1.00 71.14 H new ATOM 0 HG2 GLU A 107 5.227 15.342 -24.483 1.00 63.04 H new ATOM 0 HG3 GLU A 107 5.306 16.647 -25.650 1.00 63.04 H new ATOM 1711 N GLN A 108 1.329 15.564 -27.084 1.00 2.31 N ATOM 1712 CA GLN A 108 0.925 14.587 -28.087 1.00 41.10 C ATOM 1713 C GLN A 108 0.692 15.256 -29.438 1.00 44.30 C ATOM 1714 O GLN A 108 0.985 14.681 -30.485 1.00 11.13 O ATOM 1715 CB GLN A 108 -0.346 13.862 -27.640 1.00 23.12 C ATOM 1716 CG GLN A 108 -0.319 12.365 -27.910 1.00 4.33 C ATOM 1717 CD GLN A 108 -1.470 11.910 -28.785 1.00 5.13 C ATOM 1718 OE1 GLN A 108 -2.570 12.458 -28.719 1.00 65.44 O ATOM 1719 NE2 GLN A 108 -1.220 10.901 -29.612 1.00 50.10 N ATOM 0 H GLN A 108 0.610 15.784 -26.395 1.00 2.31 H new ATOM 0 HA GLN A 108 1.731 13.862 -28.195 1.00 41.10 H new ATOM 0 HB2 GLN A 108 -0.493 14.028 -26.573 1.00 23.12 H new ATOM 0 HB3 GLN A 108 -1.203 14.300 -28.151 1.00 23.12 H new ATOM 0 HG2 GLN A 108 0.624 12.103 -28.391 1.00 4.33 H new ATOM 0 HG3 GLN A 108 -0.353 11.828 -26.962 1.00 4.33 H new ATOM 0 HE21 GLN A 108 -0.293 10.477 -29.633 1.00 50.10 H new ATOM 0 HE22 GLN A 108 -1.955 10.551 -30.226 1.00 50.10 H new ATOM 1728 N ASN A 109 0.166 16.476 -29.405 1.00 15.20 N ATOM 1729 CA ASN A 109 -0.107 17.224 -30.627 1.00 11.43 C ATOM 1730 C ASN A 109 1.172 17.432 -31.434 1.00 73.12 C ATOM 1731 O ASN A 109 1.152 17.412 -32.665 1.00 24.32 O ATOM 1732 CB ASN A 109 -0.737 18.578 -30.292 1.00 20.41 C ATOM 1733 CG ASN A 109 -2.151 18.705 -30.824 1.00 71.34 C ATOM 1734 OD1 ASN A 109 -2.439 18.311 -31.954 1.00 72.24 O ATOM 1735 ND2 ASN A 109 -3.043 19.256 -30.009 1.00 12.42 N ATOM 0 H ASN A 109 -0.080 16.968 -28.546 1.00 15.20 H new ATOM 0 HA ASN A 109 -0.807 16.644 -31.229 1.00 11.43 H new ATOM 0 HB2 ASN A 109 -0.745 18.714 -29.211 1.00 20.41 H new ATOM 0 HB3 ASN A 109 -0.122 19.375 -30.709 1.00 20.41 H new ATOM 0 HD21 ASN A 109 -4.011 19.366 -30.312 1.00 12.42 H new ATOM 0 HD22 ASN A 109 -2.760 19.569 -29.080 1.00 12.42 H new ATOM 1742 N LYS A 110 2.282 17.630 -30.732 1.00 30.13 N ATOM 1743 CA LYS A 110 3.570 17.839 -31.381 1.00 42.23 C ATOM 1744 C LYS A 110 4.213 16.508 -31.757 1.00 12.23 C ATOM 1745 O LYS A 110 4.778 16.365 -32.841 1.00 42.43 O ATOM 1746 CB LYS A 110 4.506 18.628 -30.461 1.00 23.12 C ATOM 1747 CG LYS A 110 4.233 20.121 -30.451 1.00 43.40 C ATOM 1748 CD LYS A 110 5.035 20.842 -31.522 1.00 5.02 C ATOM 1749 CE LYS A 110 4.811 22.345 -31.468 1.00 42.14 C ATOM 1750 NZ LYS A 110 5.879 23.091 -32.192 1.00 11.11 N ATOM 0 H LYS A 110 2.315 17.650 -29.713 1.00 30.13 H new ATOM 0 HA LYS A 110 3.400 18.411 -32.293 1.00 42.23 H new ATOM 0 HB2 LYS A 110 4.413 18.243 -29.445 1.00 23.12 H new ATOM 0 HB3 LYS A 110 5.537 18.458 -30.773 1.00 23.12 H new ATOM 0 HG2 LYS A 110 3.169 20.298 -30.610 1.00 43.40 H new ATOM 0 HG3 LYS A 110 4.481 20.531 -29.472 1.00 43.40 H new ATOM 0 HD2 LYS A 110 6.095 20.626 -31.391 1.00 5.02 H new ATOM 0 HD3 LYS A 110 4.752 20.466 -32.505 1.00 5.02 H new ATOM 0 HE2 LYS A 110 3.841 22.584 -31.905 1.00 42.14 H new ATOM 0 HE3 LYS A 110 4.781 22.671 -30.428 1.00 42.14 H new ATOM 0 HZ1 LYS A 110 5.691 24.112 -32.132 1.00 11.11 H new ATOM 0 HZ2 LYS A 110 6.802 22.883 -31.760 1.00 11.11 H new ATOM 0 HZ3 LYS A 110 5.891 22.799 -33.190 1.00 11.11 H new ATOM 1764 N SER A 111 4.122 15.537 -30.855 1.00 75.31 N ATOM 1765 CA SER A 111 4.696 14.217 -31.091 1.00 72.24 C ATOM 1766 C SER A 111 4.046 13.550 -32.300 1.00 43.22 C ATOM 1767 O SER A 111 4.663 12.726 -32.975 1.00 54.03 O ATOM 1768 CB SER A 111 4.526 13.334 -29.855 1.00 34.24 C ATOM 1769 OG SER A 111 4.942 12.005 -30.116 1.00 35.13 O ATOM 0 H SER A 111 3.656 15.639 -29.953 1.00 75.31 H new ATOM 0 HA SER A 111 5.759 14.342 -31.295 1.00 72.24 H new ATOM 0 HB2 SER A 111 5.106 13.744 -29.029 1.00 34.24 H new ATOM 0 HB3 SER A 111 3.482 13.337 -29.543 1.00 34.24 H new ATOM 0 HG SER A 111 4.825 11.461 -29.309 1.00 35.13 H new ATOM 1775 N LYS A 112 2.796 13.914 -32.567 1.00 61.20 N ATOM 1776 CA LYS A 112 2.060 13.353 -33.694 1.00 3.51 C ATOM 1777 C LYS A 112 2.806 13.590 -35.003 1.00 64.35 C ATOM 1778 O LYS A 112 2.841 12.722 -35.876 1.00 21.10 O ATOM 1779 CB LYS A 112 0.662 13.970 -33.774 1.00 53.21 C ATOM 1780 CG LYS A 112 -0.253 13.276 -34.767 1.00 40.02 C ATOM 1781 CD LYS A 112 -1.459 14.136 -35.111 1.00 22.32 C ATOM 1782 CE LYS A 112 -1.883 13.947 -36.559 1.00 52.32 C ATOM 1783 NZ LYS A 112 -3.018 14.840 -36.924 1.00 73.54 N ATOM 0 H LYS A 112 2.271 14.595 -32.018 1.00 61.20 H new ATOM 0 HA LYS A 112 1.969 12.278 -33.537 1.00 3.51 H new ATOM 0 HB2 LYS A 112 0.203 13.938 -32.786 1.00 53.21 H new ATOM 0 HB3 LYS A 112 0.753 15.021 -34.049 1.00 53.21 H new ATOM 0 HG2 LYS A 112 0.303 13.047 -35.676 1.00 40.02 H new ATOM 0 HG3 LYS A 112 -0.589 12.326 -34.351 1.00 40.02 H new ATOM 0 HD2 LYS A 112 -2.289 13.881 -34.452 1.00 22.32 H new ATOM 0 HD3 LYS A 112 -1.222 15.185 -34.934 1.00 22.32 H new ATOM 0 HE2 LYS A 112 -1.036 14.149 -37.215 1.00 52.32 H new ATOM 0 HE3 LYS A 112 -2.171 12.908 -36.721 1.00 52.32 H new ATOM 0 HZ1 LYS A 112 -3.278 14.682 -37.918 1.00 73.54 H new ATOM 0 HZ2 LYS A 112 -3.834 14.630 -36.315 1.00 73.54 H new ATOM 0 HZ3 LYS A 112 -2.735 15.832 -36.794 1.00 73.54 H new ATOM 1797 N LYS A 113 3.405 14.768 -35.133 1.00 42.44 N ATOM 1798 CA LYS A 113 4.155 15.119 -36.334 1.00 72.42 C ATOM 1799 C LYS A 113 5.416 14.269 -36.455 1.00 50.11 C ATOM 1800 O LYS A 113 5.891 13.999 -37.559 1.00 31.12 O ATOM 1801 CB LYS A 113 4.527 16.603 -36.313 1.00 73.44 C ATOM 1802 CG LYS A 113 4.943 17.144 -37.670 1.00 2.53 C ATOM 1803 CD LYS A 113 3.795 17.861 -38.360 1.00 22.43 C ATOM 1804 CE LYS A 113 4.105 18.129 -39.825 1.00 63.51 C ATOM 1805 NZ LYS A 113 3.379 17.190 -40.725 1.00 41.04 N ATOM 0 H LYS A 113 3.386 15.498 -34.420 1.00 42.44 H new ATOM 0 HA LYS A 113 3.521 14.923 -37.199 1.00 72.42 H new ATOM 0 HB2 LYS A 113 3.676 17.177 -35.947 1.00 73.44 H new ATOM 0 HB3 LYS A 113 5.342 16.755 -35.605 1.00 73.44 H new ATOM 0 HG2 LYS A 113 5.781 17.830 -37.548 1.00 2.53 H new ATOM 0 HG3 LYS A 113 5.291 16.324 -38.298 1.00 2.53 H new ATOM 0 HD2 LYS A 113 2.890 17.259 -38.283 1.00 22.43 H new ATOM 0 HD3 LYS A 113 3.595 18.804 -37.851 1.00 22.43 H new ATOM 0 HE2 LYS A 113 3.831 19.155 -40.073 1.00 63.51 H new ATOM 0 HE3 LYS A 113 5.178 18.036 -39.992 1.00 63.51 H new ATOM 0 HZ1 LYS A 113 3.616 17.404 -41.715 1.00 41.04 H new ATOM 0 HZ2 LYS A 113 3.659 16.213 -40.506 1.00 41.04 H new ATOM 0 HZ3 LYS A 113 2.354 17.296 -40.584 1.00 41.04 H new ATOM 1819 N LYS A 114 5.952 13.849 -35.315 1.00 24.32 N ATOM 1820 CA LYS A 114 7.156 13.027 -35.294 1.00 23.55 C ATOM 1821 C LYS A 114 6.861 11.643 -34.722 1.00 1.15 C ATOM 1822 O LYS A 114 7.686 11.064 -34.016 1.00 2.44 O ATOM 1823 CB LYS A 114 8.249 13.709 -34.468 1.00 5.04 C ATOM 1824 CG LYS A 114 9.625 13.647 -35.109 1.00 33.24 C ATOM 1825 CD LYS A 114 10.722 13.972 -34.108 1.00 52.23 C ATOM 1826 CE LYS A 114 11.092 12.756 -33.272 1.00 51.24 C ATOM 1827 NZ LYS A 114 11.663 13.144 -31.953 1.00 42.31 N ATOM 0 H LYS A 114 5.572 14.064 -34.393 1.00 24.32 H new ATOM 0 HA LYS A 114 7.504 12.910 -36.320 1.00 23.55 H new ATOM 0 HB2 LYS A 114 7.977 14.753 -34.312 1.00 5.04 H new ATOM 0 HB3 LYS A 114 8.294 13.241 -33.484 1.00 5.04 H new ATOM 0 HG2 LYS A 114 9.791 12.652 -35.521 1.00 33.24 H new ATOM 0 HG3 LYS A 114 9.671 14.349 -35.942 1.00 33.24 H new ATOM 0 HD2 LYS A 114 11.604 14.333 -34.637 1.00 52.23 H new ATOM 0 HD3 LYS A 114 10.391 14.778 -33.453 1.00 52.23 H new ATOM 0 HE2 LYS A 114 10.207 12.138 -33.117 1.00 51.24 H new ATOM 0 HE3 LYS A 114 11.814 12.147 -33.816 1.00 51.24 H new ATOM 0 HZ1 LYS A 114 11.902 12.288 -31.413 1.00 42.31 H new ATOM 0 HZ2 LYS A 114 12.522 13.712 -32.100 1.00 42.31 H new ATOM 0 HZ3 LYS A 114 10.964 13.703 -31.423 1.00 42.31 H new ATOM 1841 N ALA A 115 5.680 11.120 -35.032 1.00 71.03 N ATOM 1842 CA ALA A 115 5.277 9.803 -34.552 1.00 5.35 C ATOM 1843 C ALA A 115 5.352 8.766 -35.667 1.00 11.22 C ATOM 1844 O ALA A 115 5.551 7.580 -35.410 1.00 20.53 O ATOM 1845 CB ALA A 115 3.871 9.860 -33.973 1.00 43.03 C ATOM 0 H ALA A 115 4.985 11.588 -35.614 1.00 71.03 H new ATOM 0 HA ALA A 115 5.969 9.502 -33.766 1.00 5.35 H new ATOM 0 HB1 ALA A 115 3.583 8.870 -33.619 1.00 43.03 H new ATOM 0 HB2 ALA A 115 3.848 10.564 -33.141 1.00 43.03 H new ATOM 0 HB3 ALA A 115 3.173 10.187 -34.744 1.00 43.03 H new ATOM 1851 N GLN A 116 5.189 9.222 -36.905 1.00 5.42 N ATOM 1852 CA GLN A 116 5.238 8.332 -38.058 1.00 53.20 C ATOM 1853 C GLN A 116 6.596 8.406 -38.748 1.00 53.44 C ATOM 1854 O GLN A 116 6.694 8.236 -39.963 1.00 1.21 O ATOM 1855 CB GLN A 116 4.128 8.687 -39.050 1.00 72.00 C ATOM 1856 CG GLN A 116 2.734 8.648 -38.443 1.00 43.10 C ATOM 1857 CD GLN A 116 1.738 7.914 -39.319 1.00 2.02 C ATOM 1858 OE1 GLN A 116 0.967 7.082 -38.838 1.00 64.15 O ATOM 1859 NE2 GLN A 116 1.748 8.219 -40.611 1.00 52.11 N ATOM 0 H GLN A 116 5.022 10.202 -37.135 1.00 5.42 H new ATOM 0 HA GLN A 116 5.087 7.312 -37.704 1.00 53.20 H new ATOM 0 HB2 GLN A 116 4.314 9.684 -39.449 1.00 72.00 H new ATOM 0 HB3 GLN A 116 4.169 7.995 -39.891 1.00 72.00 H new ATOM 0 HG2 GLN A 116 2.780 8.164 -37.467 1.00 43.10 H new ATOM 0 HG3 GLN A 116 2.385 9.667 -38.277 1.00 43.10 H new ATOM 0 HE21 GLN A 116 2.404 8.915 -40.966 1.00 52.11 H new ATOM 0 HE22 GLN A 116 1.099 7.758 -41.249 1.00 52.11 H new ATOM 1868 N GLN A 117 7.638 8.663 -37.965 1.00 65.12 N ATOM 1869 CA GLN A 117 8.991 8.762 -38.503 1.00 15.34 C ATOM 1870 C GLN A 117 9.956 7.889 -37.708 1.00 4.50 C ATOM 1871 O GLN A 117 10.796 7.196 -38.281 1.00 32.00 O ATOM 1872 CB GLN A 117 9.464 10.216 -38.484 1.00 42.31 C ATOM 1873 CG GLN A 117 10.578 10.506 -39.477 1.00 63.03 C ATOM 1874 CD GLN A 117 11.274 11.826 -39.205 1.00 74.31 C ATOM 1875 OE1 GLN A 117 10.631 12.822 -38.876 1.00 14.35 O ATOM 1876 NE2 GLN A 117 12.594 11.838 -39.343 1.00 12.23 N ATOM 0 H GLN A 117 7.573 8.806 -36.957 1.00 65.12 H new ATOM 0 HA GLN A 117 8.974 8.407 -39.534 1.00 15.34 H new ATOM 0 HB2 GLN A 117 8.617 10.868 -38.700 1.00 42.31 H new ATOM 0 HB3 GLN A 117 9.809 10.464 -37.480 1.00 42.31 H new ATOM 0 HG2 GLN A 117 11.310 9.699 -39.441 1.00 63.03 H new ATOM 0 HG3 GLN A 117 10.166 10.518 -40.486 1.00 63.03 H new ATOM 0 HE21 GLN A 117 13.086 10.988 -39.618 1.00 12.23 H new ATOM 0 HE22 GLN A 117 13.117 12.698 -39.174 1.00 12.23 H new ATOM 1885 N ALA A 118 9.833 7.931 -36.386 1.00 32.54 N ATOM 1886 CA ALA A 118 10.693 7.143 -35.512 1.00 64.54 C ATOM 1887 C ALA A 118 10.419 5.651 -35.671 1.00 0.35 C ATOM 1888 O ALA A 118 11.295 4.821 -35.434 1.00 21.41 O ATOM 1889 CB ALA A 118 10.503 7.565 -34.063 1.00 25.42 C ATOM 0 H ALA A 118 9.145 8.503 -35.896 1.00 32.54 H new ATOM 0 HA ALA A 118 11.728 7.328 -35.800 1.00 64.54 H new ATOM 0 HB1 ALA A 118 11.152 6.968 -33.422 1.00 25.42 H new ATOM 0 HB2 ALA A 118 10.757 8.619 -33.955 1.00 25.42 H new ATOM 0 HB3 ALA A 118 9.464 7.411 -33.772 1.00 25.42 H new ATOM 1895 N ALA A 119 9.196 5.319 -36.073 1.00 25.45 N ATOM 1896 CA ALA A 119 8.808 3.927 -36.265 1.00 31.24 C ATOM 1897 C ALA A 119 9.252 3.416 -37.630 1.00 62.35 C ATOM 1898 O ALA A 119 8.434 2.969 -38.433 1.00 32.21 O ATOM 1899 CB ALA A 119 7.302 3.773 -36.106 1.00 10.34 C ATOM 0 H ALA A 119 8.458 5.994 -36.272 1.00 25.45 H new ATOM 0 HA ALA A 119 9.307 3.328 -35.503 1.00 31.24 H new ATOM 0 HB1 ALA A 119 7.026 2.729 -36.252 1.00 10.34 H new ATOM 0 HB2 ALA A 119 7.007 4.090 -35.106 1.00 10.34 H new ATOM 0 HB3 ALA A 119 6.793 4.390 -36.847 1.00 10.34 H new ATOM 1905 N ALA A 120 10.554 3.485 -37.888 1.00 44.41 N ATOM 1906 CA ALA A 120 11.108 3.029 -39.157 1.00 71.21 C ATOM 1907 C ALA A 120 12.598 2.732 -39.030 1.00 43.34 C ATOM 1908 O ALA A 120 13.413 3.268 -39.783 1.00 61.23 O ATOM 1909 CB ALA A 120 10.864 4.065 -40.243 1.00 50.10 C ATOM 0 H ALA A 120 11.245 3.853 -37.234 1.00 44.41 H new ATOM 0 HA ALA A 120 10.602 2.104 -39.434 1.00 71.21 H new ATOM 0 HB1 ALA A 120 11.283 3.711 -41.185 1.00 50.10 H new ATOM 0 HB2 ALA A 120 9.792 4.224 -40.360 1.00 50.10 H new ATOM 0 HB3 ALA A 120 11.342 5.004 -39.964 1.00 50.10 H new ATOM 1915 N ASP A 121 12.949 1.878 -38.076 1.00 33.14 N ATOM 1916 CA ASP A 121 14.341 1.511 -37.851 1.00 1.23 C ATOM 1917 C ASP A 121 14.441 0.255 -36.990 1.00 11.11 C ATOM 1918 O ASP A 121 15.358 0.115 -36.180 1.00 71.31 O ATOM 1919 CB ASP A 121 15.094 2.663 -37.183 1.00 14.33 C ATOM 1920 CG ASP A 121 16.573 2.658 -37.516 1.00 44.22 C ATOM 1921 OD1 ASP A 121 16.912 2.514 -38.709 1.00 23.42 O ATOM 1922 OD2 ASP A 121 17.392 2.799 -36.583 1.00 72.35 O ATOM 0 H ASP A 121 12.287 1.426 -37.445 1.00 33.14 H new ATOM 0 HA ASP A 121 14.796 1.303 -38.819 1.00 1.23 H new ATOM 0 HB2 ASP A 121 14.657 3.610 -37.498 1.00 14.33 H new ATOM 0 HB3 ASP A 121 14.968 2.598 -36.102 1.00 14.33 H new ATOM 1927 N THR A 122 13.489 -0.656 -37.169 1.00 40.12 N ATOM 1928 CA THR A 122 13.467 -1.898 -36.407 1.00 62.23 C ATOM 1929 C THR A 122 13.006 -3.065 -37.273 1.00 11.33 C ATOM 1930 O THR A 122 12.040 -2.948 -38.026 1.00 72.40 O ATOM 1931 CB THR A 122 12.544 -1.788 -35.179 1.00 62.13 C ATOM 1932 OG1 THR A 122 11.196 -1.552 -35.599 1.00 31.34 O ATOM 1933 CG2 THR A 122 12.998 -0.663 -34.260 1.00 61.53 C ATOM 0 H THR A 122 12.723 -0.556 -37.835 1.00 40.12 H new ATOM 0 HA THR A 122 14.487 -2.080 -36.069 1.00 62.23 H new ATOM 0 HB THR A 122 12.594 -2.728 -34.629 1.00 62.13 H new ATOM 0 HG1 THR A 122 10.615 -1.485 -34.812 1.00 31.34 H new ATOM 0 HG21 THR A 122 12.331 -0.604 -33.400 1.00 61.53 H new ATOM 0 HG22 THR A 122 14.014 -0.860 -33.919 1.00 61.53 H new ATOM 0 HG23 THR A 122 12.974 0.282 -34.803 1.00 61.53 H new ATOM 1941 N GLY A 123 13.702 -4.192 -37.159 1.00 61.30 N ATOM 1942 CA GLY A 123 13.348 -5.365 -37.937 1.00 32.32 C ATOM 1943 C GLY A 123 13.263 -6.619 -37.088 1.00 53.34 C ATOM 1944 O GLY A 123 12.667 -6.608 -36.013 1.00 20.35 O ATOM 0 H GLY A 123 14.505 -4.314 -36.542 1.00 61.30 H new ATOM 0 HA2 GLY A 123 12.389 -5.196 -38.428 1.00 32.32 H new ATOM 0 HA3 GLY A 123 14.087 -5.512 -38.724 1.00 32.32 H new ATOM 1948 N ASN A 124 13.858 -7.703 -37.576 1.00 12.33 N ATOM 1949 CA ASN A 124 13.844 -8.970 -36.857 1.00 21.54 C ATOM 1950 C ASN A 124 15.136 -9.163 -36.068 1.00 44.25 C ATOM 1951 O ASN A 124 16.008 -8.295 -36.065 1.00 50.11 O ATOM 1952 CB ASN A 124 13.652 -10.132 -37.832 1.00 71.33 C ATOM 1953 CG ASN A 124 14.916 -10.455 -38.605 1.00 51.43 C ATOM 1954 OD1 ASN A 124 15.788 -9.602 -38.772 1.00 63.35 O ATOM 1955 ND2 ASN A 124 15.019 -11.690 -39.083 1.00 2.24 N ATOM 0 H ASN A 124 14.355 -7.728 -38.466 1.00 12.33 H new ATOM 0 HA ASN A 124 13.010 -8.951 -36.156 1.00 21.54 H new ATOM 0 HB2 ASN A 124 13.331 -11.016 -37.281 1.00 71.33 H new ATOM 0 HB3 ASN A 124 12.854 -9.886 -38.533 1.00 71.33 H new ATOM 0 HD21 ASN A 124 15.846 -11.964 -39.613 1.00 2.24 H new ATOM 0 HD22 ASN A 124 14.271 -12.364 -38.920 1.00 2.24 H new ATOM 1962 N ASN A 125 15.253 -10.307 -35.402 1.00 74.43 N ATOM 1963 CA ASN A 125 16.438 -10.614 -34.610 1.00 51.23 C ATOM 1964 C ASN A 125 16.421 -12.067 -34.146 1.00 72.01 C ATOM 1965 O ASN A 125 15.359 -12.675 -34.013 1.00 74.02 O ATOM 1966 CB ASN A 125 16.525 -9.681 -33.401 1.00 11.43 C ATOM 1967 CG ASN A 125 17.957 -9.420 -32.973 1.00 72.22 C ATOM 1968 OD1 ASN A 125 18.874 -9.435 -33.793 1.00 51.32 O ATOM 1969 ND2 ASN A 125 18.153 -9.181 -31.682 1.00 5.13 N ATOM 0 H ASN A 125 14.541 -11.037 -35.395 1.00 74.43 H new ATOM 0 HA ASN A 125 17.315 -10.463 -35.240 1.00 51.23 H new ATOM 0 HB2 ASN A 125 16.042 -8.734 -33.641 1.00 11.43 H new ATOM 0 HB3 ASN A 125 15.974 -10.118 -32.568 1.00 11.43 H new ATOM 0 HD21 ASN A 125 19.095 -9.000 -31.334 1.00 5.13 H new ATOM 0 HD22 ASN A 125 17.362 -9.178 -31.038 1.00 5.13 H new ATOM 1976 N SER A 126 17.605 -12.618 -33.898 1.00 62.14 N ATOM 1977 CA SER A 126 17.728 -14.000 -33.452 1.00 34.23 C ATOM 1978 C SER A 126 17.028 -14.201 -32.111 1.00 21.41 C ATOM 1979 O SER A 126 16.998 -13.300 -31.273 1.00 51.45 O ATOM 1980 CB SER A 126 19.202 -14.393 -33.335 1.00 71.15 C ATOM 1981 OG SER A 126 19.570 -15.300 -34.360 1.00 42.22 O ATOM 0 H SER A 126 18.494 -12.127 -33.999 1.00 62.14 H new ATOM 0 HA SER A 126 17.248 -14.639 -34.193 1.00 34.23 H new ATOM 0 HB2 SER A 126 19.825 -13.501 -33.393 1.00 71.15 H new ATOM 0 HB3 SER A 126 19.385 -14.846 -32.361 1.00 71.15 H new ATOM 0 HG SER A 126 20.517 -15.535 -34.265 1.00 42.22 H new ATOM 1987 N GLN A 127 16.467 -15.390 -31.915 1.00 65.22 N ATOM 1988 CA GLN A 127 15.768 -15.711 -30.676 1.00 52.51 C ATOM 1989 C GLN A 127 16.757 -15.978 -29.547 1.00 31.23 C ATOM 1990 O GLN A 127 17.945 -16.190 -29.785 1.00 5.34 O ATOM 1991 CB GLN A 127 14.863 -16.926 -30.876 1.00 71.22 C ATOM 1992 CG GLN A 127 15.617 -18.188 -31.266 1.00 33.44 C ATOM 1993 CD GLN A 127 15.129 -19.414 -30.518 1.00 11.25 C ATOM 1994 OE1 GLN A 127 15.748 -19.849 -29.546 1.00 51.45 O ATOM 1995 NE2 GLN A 127 14.013 -19.977 -30.967 1.00 2.54 N ATOM 0 H GLN A 127 16.483 -16.147 -32.598 1.00 65.22 H new ATOM 0 HA GLN A 127 15.155 -14.853 -30.401 1.00 52.51 H new ATOM 0 HB2 GLN A 127 14.310 -17.113 -29.955 1.00 71.22 H new ATOM 0 HB3 GLN A 127 14.128 -16.698 -31.648 1.00 71.22 H new ATOM 0 HG2 GLN A 127 15.510 -18.354 -32.338 1.00 33.44 H new ATOM 0 HG3 GLN A 127 16.680 -18.047 -31.070 1.00 33.44 H new ATOM 0 HE21 GLN A 127 13.533 -19.583 -31.776 1.00 2.54 H new ATOM 0 HE22 GLN A 127 13.636 -20.803 -30.503 1.00 2.54 H new ATOM 2004 N VAL A 128 16.257 -15.966 -28.314 1.00 43.21 N ATOM 2005 CA VAL A 128 17.096 -16.208 -27.147 1.00 2.21 C ATOM 2006 C VAL A 128 16.709 -17.508 -26.452 1.00 70.21 C ATOM 2007 O VAL A 128 15.527 -17.828 -26.326 1.00 74.50 O ATOM 2008 CB VAL A 128 17.000 -15.049 -26.136 1.00 74.20 C ATOM 2009 CG1 VAL A 128 17.477 -13.750 -26.766 1.00 0.40 C ATOM 2010 CG2 VAL A 128 15.575 -14.910 -25.621 1.00 41.31 C ATOM 0 H VAL A 128 15.275 -15.791 -28.099 1.00 43.21 H new ATOM 0 HA VAL A 128 18.123 -16.283 -27.505 1.00 2.21 H new ATOM 0 HB VAL A 128 17.649 -15.273 -25.289 1.00 74.20 H new ATOM 0 HG11 VAL A 128 17.402 -12.943 -26.037 1.00 0.40 H new ATOM 0 HG12 VAL A 128 18.515 -13.858 -27.082 1.00 0.40 H new ATOM 0 HG13 VAL A 128 16.857 -13.516 -27.631 1.00 0.40 H new ATOM 0 HG21 VAL A 128 15.524 -14.087 -24.908 1.00 41.31 H new ATOM 0 HG22 VAL A 128 14.904 -14.708 -26.456 1.00 41.31 H new ATOM 0 HG23 VAL A 128 15.274 -15.835 -25.129 1.00 41.31 H new ATOM 2020 N SER A 129 17.713 -18.253 -26.001 1.00 35.04 N ATOM 2021 CA SER A 129 17.477 -19.521 -25.320 1.00 2.10 C ATOM 2022 C SER A 129 18.720 -19.968 -24.557 1.00 1.14 C ATOM 2023 O SER A 129 19.773 -20.204 -25.150 1.00 12.54 O ATOM 2024 CB SER A 129 17.070 -20.597 -26.328 1.00 35.12 C ATOM 2025 OG SER A 129 15.680 -20.861 -26.259 1.00 74.31 O ATOM 0 H SER A 129 18.697 -18.001 -26.095 1.00 35.04 H new ATOM 0 HA SER A 129 16.666 -19.376 -24.606 1.00 2.10 H new ATOM 0 HB2 SER A 129 17.332 -20.274 -27.335 1.00 35.12 H new ATOM 0 HB3 SER A 129 17.627 -21.513 -26.132 1.00 35.12 H new ATOM 0 HG SER A 129 15.186 -20.015 -26.256 1.00 74.31 H new ATOM 2031 N GLN A 130 18.589 -20.079 -23.239 1.00 63.42 N ATOM 2032 CA GLN A 130 19.702 -20.496 -22.394 1.00 23.23 C ATOM 2033 C GLN A 130 19.243 -20.715 -20.956 1.00 42.41 C ATOM 2034 O GLN A 130 18.144 -20.310 -20.578 1.00 5.31 O ATOM 2035 CB GLN A 130 20.819 -19.452 -22.432 1.00 43.22 C ATOM 2036 CG GLN A 130 21.998 -19.852 -23.304 1.00 63.41 C ATOM 2037 CD GLN A 130 23.221 -20.235 -22.493 1.00 11.42 C ATOM 2038 OE1 GLN A 130 23.500 -21.416 -22.290 1.00 45.24 O ATOM 2039 NE2 GLN A 130 23.957 -19.234 -22.024 1.00 53.24 N ATOM 0 H GLN A 130 17.724 -19.886 -22.734 1.00 63.42 H new ATOM 0 HA GLN A 130 20.084 -21.440 -22.781 1.00 23.23 H new ATOM 0 HB2 GLN A 130 20.411 -18.509 -22.797 1.00 43.22 H new ATOM 0 HB3 GLN A 130 21.173 -19.274 -21.417 1.00 43.22 H new ATOM 0 HG2 GLN A 130 21.709 -20.691 -23.937 1.00 63.41 H new ATOM 0 HG3 GLN A 130 22.251 -19.025 -23.968 1.00 63.41 H new ATOM 0 HE21 GLN A 130 23.688 -18.269 -22.217 1.00 53.24 H new ATOM 0 HE22 GLN A 130 24.791 -19.430 -21.471 1.00 53.24 H new ATOM 2048 N ASN A 131 20.092 -21.356 -20.160 1.00 74.41 N ATOM 2049 CA ASN A 131 19.772 -21.629 -18.763 1.00 13.01 C ATOM 2050 C ASN A 131 20.254 -20.495 -17.863 1.00 73.02 C ATOM 2051 O ASN A 131 20.892 -19.550 -18.327 1.00 40.21 O ATOM 2052 CB ASN A 131 20.405 -22.950 -18.321 1.00 44.34 C ATOM 2053 CG ASN A 131 19.406 -24.091 -18.298 1.00 2.44 C ATOM 2054 OD1 ASN A 131 18.392 -24.027 -17.603 1.00 21.05 O ATOM 2055 ND2 ASN A 131 19.690 -25.142 -19.058 1.00 2.14 N ATOM 0 H ASN A 131 21.006 -21.696 -20.458 1.00 74.41 H new ATOM 0 HA ASN A 131 18.688 -21.705 -18.673 1.00 13.01 H new ATOM 0 HB2 ASN A 131 21.224 -23.201 -18.996 1.00 44.34 H new ATOM 0 HB3 ASN A 131 20.836 -22.828 -17.327 1.00 44.34 H new ATOM 0 HD21 ASN A 131 19.056 -25.940 -19.082 1.00 2.14 H new ATOM 0 HD22 ASN A 131 20.543 -25.151 -19.618 1.00 2.14 H new ATOM 2062 N TYR A 132 19.944 -20.596 -16.576 1.00 42.11 N ATOM 2063 CA TYR A 132 20.343 -19.578 -15.611 1.00 64.32 C ATOM 2064 C TYR A 132 21.180 -20.188 -14.491 1.00 64.31 C ATOM 2065 O TYR A 132 21.213 -21.406 -14.320 1.00 61.41 O ATOM 2066 CB TYR A 132 19.109 -18.891 -15.024 1.00 43.43 C ATOM 2067 CG TYR A 132 18.398 -17.985 -16.003 1.00 2.41 C ATOM 2068 CD1 TYR A 132 18.762 -16.650 -16.135 1.00 71.21 C ATOM 2069 CD2 TYR A 132 17.361 -18.462 -16.795 1.00 22.44 C ATOM 2070 CE1 TYR A 132 18.114 -15.818 -17.028 1.00 12.02 C ATOM 2071 CE2 TYR A 132 16.709 -17.639 -17.691 1.00 1.41 C ATOM 2072 CZ TYR A 132 17.089 -16.317 -17.804 1.00 61.11 C ATOM 2073 OH TYR A 132 16.440 -15.492 -18.694 1.00 65.32 O ATOM 0 H TYR A 132 19.417 -21.373 -16.176 1.00 42.11 H new ATOM 0 HA TYR A 132 20.950 -18.837 -16.132 1.00 64.32 H new ATOM 0 HB2 TYR A 132 18.412 -19.652 -14.674 1.00 43.43 H new ATOM 0 HB3 TYR A 132 19.408 -18.308 -14.153 1.00 43.43 H new ATOM 0 HD1 TYR A 132 19.565 -16.256 -15.529 1.00 71.21 H new ATOM 0 HD2 TYR A 132 17.060 -19.495 -16.708 1.00 22.44 H new ATOM 0 HE1 TYR A 132 18.409 -14.783 -17.118 1.00 12.02 H new ATOM 0 HE2 TYR A 132 15.906 -18.027 -18.300 1.00 1.41 H new ATOM 0 HH TYR A 132 15.745 -15.999 -19.163 1.00 65.32 H new TER 2083 TYR A 132