USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 681 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 Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 157:sc= -0.205 (180deg=-0.844) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -4.02 K(o=-4,f=-12!) USER MOD Single : A 26 LYS NZ :NH3+ -164:sc=-0.00623 (180deg=-0.367) USER MOD Single : A 29 ASN : amide:sc= -3.63 K(o=-3.6,f=-4.2!) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0.0561 X(o=0.056,f=0) USER MOD Single : A 37 TYR OH : rot -27:sc= -2.04 USER MOD Single : A 38 GLN : amide:sc= -1.39 X(o=-1.4,f=-0.99) USER MOD Single : A 39 HIS : no HD1:sc= -0.43 X(o=-0.43,f=-0.023) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -1.03 K(o=-1,f=-0.28) USER MOD Single : A 49 LYS NZ :NH3+ -176:sc= -0.3 (180deg=-0.308) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.22 K(o=-0.22,f=-1.4!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= -0.271 X(o=-0.27,f=-0.27) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 CYS SG : rot 21:sc= -6.49! USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 122 GLN : amide:sc= -1.62 K(o=-1.6,f=-1) USER MOD Single : B 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 10 -11.821 -8.876 2.578 1.00 71.40 N ATOM 2 CA ASN A 10 -10.536 -8.273 2.901 1.00 33.00 C ATOM 3 C ASN A 10 -9.881 -7.684 1.656 1.00 53.20 C ATOM 4 O ASN A 10 -9.378 -6.561 1.679 1.00 43.20 O ATOM 5 CB ASN A 10 -9.608 -9.310 3.538 1.00 0.03 C ATOM 6 CG ASN A 10 -9.728 -9.342 5.049 1.00 72.20 C ATOM 7 OD1 ASN A 10 -10.773 -9.701 5.593 1.00 41.50 O ATOM 8 ND2 ASN A 10 -8.655 -8.967 5.736 1.00 23.50 N ATOM 0 HA ASN A 10 -10.711 -7.466 3.612 1.00 33.00 H new ATOM 0 HB2 ASN A 10 -9.840 -10.297 3.137 1.00 0.03 H new ATOM 0 HB3 ASN A 10 -8.577 -9.089 3.263 1.00 0.03 H new ATOM 0 HD21 ASN A 10 -8.676 -8.969 6.756 1.00 23.50 H new ATOM 0 HD22 ASN A 10 -7.810 -8.677 5.244 1.00 23.50 H new ATOM 15 N LEU A 11 -9.892 -8.450 0.570 1.00 40.40 N ATOM 16 CA LEU A 11 -9.299 -8.004 -0.686 1.00 62.00 C ATOM 17 C LEU A 11 -10.027 -6.779 -1.226 1.00 33.00 C ATOM 18 O LEU A 11 -9.428 -5.920 -1.870 1.00 62.00 O ATOM 19 CB LEU A 11 -9.328 -9.130 -1.715 1.00 41.20 C ATOM 20 CG LEU A 11 -8.179 -9.123 -2.724 1.00 52.20 C ATOM 21 CD1 LEU A 11 -7.971 -10.510 -3.310 1.00 20.40 C ATOM 22 CD2 LEU A 11 -8.439 -8.108 -3.823 1.00 63.10 C ATOM 0 H LEU A 11 -10.305 -9.382 0.534 1.00 40.40 H new ATOM 0 HA LEU A 11 -8.262 -7.729 -0.493 1.00 62.00 H new ATOM 0 HB2 LEU A 11 -9.320 -10.083 -1.186 1.00 41.20 H new ATOM 0 HB3 LEU A 11 -10.270 -9.077 -2.261 1.00 41.20 H new ATOM 0 HG LEU A 11 -7.267 -8.834 -2.202 1.00 52.20 H new ATOM 0 HD11 LEU A 11 -7.149 -10.483 -4.025 1.00 20.40 H new ATOM 0 HD12 LEU A 11 -7.733 -11.211 -2.510 1.00 20.40 H new ATOM 0 HD13 LEU A 11 -8.882 -10.832 -3.815 1.00 20.40 H new ATOM 0 HD21 LEU A 11 -7.610 -8.118 -4.531 1.00 63.10 H new ATOM 0 HD22 LEU A 11 -9.363 -8.363 -4.342 1.00 63.10 H new ATOM 0 HD23 LEU A 11 -8.531 -7.114 -3.386 1.00 63.10 H new ATOM 34 N GLN A 12 -11.325 -6.707 -0.962 1.00 52.10 N ATOM 35 CA GLN A 12 -12.139 -5.589 -1.424 1.00 74.50 C ATOM 36 C GLN A 12 -11.629 -4.271 -0.848 1.00 1.02 C ATOM 37 O GLN A 12 -11.459 -3.294 -1.575 1.00 54.20 O ATOM 38 CB GLN A 12 -13.602 -5.799 -1.031 1.00 2.10 C ATOM 39 CG GLN A 12 -14.594 -5.211 -2.028 1.00 70.40 C ATOM 40 CD GLN A 12 -15.137 -3.867 -1.578 1.00 72.10 C ATOM 41 OE1 GLN A 12 -15.846 -3.777 -0.576 1.00 61.50 O ATOM 42 NE2 GLN A 12 -14.813 -2.819 -2.325 1.00 12.40 N ATOM 0 H GLN A 12 -11.838 -7.410 -0.430 1.00 52.10 H new ATOM 0 HA GLN A 12 -12.066 -5.543 -2.511 1.00 74.50 H new ATOM 0 HB2 GLN A 12 -13.792 -6.867 -0.930 1.00 2.10 H new ATOM 0 HB3 GLN A 12 -13.774 -5.350 -0.053 1.00 2.10 H new ATOM 0 HG2 GLN A 12 -14.108 -5.098 -2.997 1.00 70.40 H new ATOM 0 HG3 GLN A 12 -15.422 -5.907 -2.166 1.00 70.40 H new ATOM 0 HE21 GLN A 12 -14.222 -2.942 -3.147 1.00 12.40 H new ATOM 0 HE22 GLN A 12 -15.155 -1.891 -2.077 1.00 12.40 H new ATOM 51 N LYS A 13 -11.398 -4.258 0.455 1.00 34.40 N ATOM 52 CA LYS A 13 -10.908 -3.061 1.128 1.00 63.40 C ATOM 53 C LYS A 13 -9.521 -2.682 0.623 1.00 70.50 C ATOM 54 O LYS A 13 -9.169 -1.503 0.568 1.00 73.00 O ATOM 55 CB LYS A 13 -10.870 -3.281 2.642 1.00 34.00 C ATOM 56 CG LYS A 13 -12.165 -2.908 3.344 1.00 44.00 C ATOM 57 CD LYS A 13 -13.184 -4.033 3.267 1.00 12.40 C ATOM 58 CE LYS A 13 -14.562 -3.567 3.709 1.00 52.30 C ATOM 59 NZ LYS A 13 -15.010 -2.368 2.950 1.00 31.10 N ATOM 0 H LYS A 13 -11.541 -5.060 1.069 1.00 34.40 H new ATOM 0 HA LYS A 13 -11.592 -2.243 0.904 1.00 63.40 H new ATOM 0 HB2 LYS A 13 -10.646 -4.329 2.843 1.00 34.00 H new ATOM 0 HB3 LYS A 13 -10.055 -2.694 3.066 1.00 34.00 H new ATOM 0 HG2 LYS A 13 -11.959 -2.673 4.388 1.00 44.00 H new ATOM 0 HG3 LYS A 13 -12.580 -2.008 2.890 1.00 44.00 H new ATOM 0 HD2 LYS A 13 -13.236 -4.409 2.245 1.00 12.40 H new ATOM 0 HD3 LYS A 13 -12.860 -4.862 3.896 1.00 12.40 H new ATOM 0 HE2 LYS A 13 -15.281 -4.375 3.570 1.00 52.30 H new ATOM 0 HE3 LYS A 13 -14.543 -3.337 4.774 1.00 52.30 H new ATOM 0 HZ1 LYS A 13 -16.048 -2.308 2.976 1.00 31.10 H new ATOM 0 HZ2 LYS A 13 -14.603 -1.513 3.380 1.00 31.10 H new ATOM 0 HZ3 LYS A 13 -14.693 -2.444 1.962 1.00 31.10 H new ATOM 73 N ALA A 14 -8.735 -3.688 0.254 1.00 41.30 N ATOM 74 CA ALA A 14 -7.385 -3.460 -0.247 1.00 31.40 C ATOM 75 C ALA A 14 -7.406 -2.622 -1.521 1.00 33.30 C ATOM 76 O ALA A 14 -6.590 -1.718 -1.695 1.00 62.40 O ATOM 77 CB ALA A 14 -6.685 -4.787 -0.499 1.00 63.30 C ATOM 0 H ALA A 14 -9.010 -4.669 0.293 1.00 41.30 H new ATOM 0 HA ALA A 14 -6.831 -2.907 0.512 1.00 31.40 H new ATOM 0 HB1 ALA A 14 -5.678 -4.602 -0.873 1.00 63.30 H new ATOM 0 HB2 ALA A 14 -6.629 -5.351 0.432 1.00 63.30 H new ATOM 0 HB3 ALA A 14 -7.246 -5.360 -1.237 1.00 63.30 H new ATOM 83 N ILE A 15 -8.348 -2.928 -2.408 1.00 74.40 N ATOM 84 CA ILE A 15 -8.476 -2.201 -3.666 1.00 31.40 C ATOM 85 C ILE A 15 -9.095 -0.826 -3.446 1.00 22.50 C ATOM 86 O ILE A 15 -8.592 0.180 -3.947 1.00 12.40 O ATOM 87 CB ILE A 15 -9.332 -2.980 -4.678 1.00 31.20 C ATOM 88 CG1 ILE A 15 -8.855 -4.429 -4.768 1.00 53.00 C ATOM 89 CG2 ILE A 15 -9.275 -2.308 -6.040 1.00 43.00 C ATOM 90 CD1 ILE A 15 -7.445 -4.574 -5.284 1.00 62.30 C ATOM 0 H ILE A 15 -9.033 -3.673 -2.279 1.00 74.40 H new ATOM 0 HA ILE A 15 -7.469 -2.083 -4.067 1.00 31.40 H new ATOM 0 HB ILE A 15 -10.368 -2.981 -4.339 1.00 31.20 H new ATOM 0 HG12 ILE A 15 -8.919 -4.885 -3.780 1.00 53.00 H new ATOM 0 HG13 ILE A 15 -9.530 -4.984 -5.420 1.00 53.00 H new ATOM 0 HG21 ILE A 15 -9.885 -2.869 -6.748 1.00 43.00 H new ATOM 0 HG22 ILE A 15 -9.656 -1.290 -5.960 1.00 43.00 H new ATOM 0 HG23 ILE A 15 -8.243 -2.283 -6.390 1.00 43.00 H new ATOM 0 HD11 ILE A 15 -7.177 -5.630 -5.320 1.00 62.30 H new ATOM 0 HD12 ILE A 15 -7.378 -4.149 -6.285 1.00 62.30 H new ATOM 0 HD13 ILE A 15 -6.759 -4.048 -4.620 1.00 62.30 H new ATOM 102 N ASP A 16 -10.189 -0.788 -2.693 1.00 13.20 N ATOM 103 CA ASP A 16 -10.877 0.465 -2.406 1.00 33.30 C ATOM 104 C ASP A 16 -9.957 1.435 -1.672 1.00 62.40 C ATOM 105 O ASP A 16 -10.007 2.645 -1.898 1.00 53.10 O ATOM 106 CB ASP A 16 -12.132 0.203 -1.570 1.00 23.50 C ATOM 107 CG ASP A 16 -13.251 1.165 -1.897 1.00 23.20 C ATOM 108 OD1 ASP A 16 -13.849 1.028 -2.994 1.00 44.40 O ATOM 109 OD2 ASP A 16 -13.550 2.045 -1.069 1.00 2.10 O ATOM 0 H ASP A 16 -10.618 -1.611 -2.270 1.00 13.20 H new ATOM 0 HA ASP A 16 -11.168 0.916 -3.355 1.00 33.30 H new ATOM 0 HB2 ASP A 16 -12.473 -0.818 -1.740 1.00 23.50 H new ATOM 0 HB3 ASP A 16 -11.884 0.284 -0.512 1.00 23.50 H new ATOM 114 N LEU A 17 -9.119 0.897 -0.793 1.00 33.30 N ATOM 115 CA LEU A 17 -8.187 1.715 -0.026 1.00 32.30 C ATOM 116 C LEU A 17 -7.021 2.174 -0.896 1.00 44.30 C ATOM 117 O LEU A 17 -6.631 3.341 -0.864 1.00 53.10 O ATOM 118 CB LEU A 17 -7.662 0.933 1.180 1.00 43.30 C ATOM 119 CG LEU A 17 -8.609 0.880 2.379 1.00 65.20 C ATOM 120 CD1 LEU A 17 -8.260 -0.291 3.283 1.00 51.30 C ATOM 121 CD2 LEU A 17 -8.560 2.188 3.154 1.00 43.40 C ATOM 0 H LEU A 17 -9.066 -0.102 -0.594 1.00 33.30 H new ATOM 0 HA LEU A 17 -8.722 2.597 0.326 1.00 32.30 H new ATOM 0 HB2 LEU A 17 -7.442 -0.087 0.865 1.00 43.30 H new ATOM 0 HB3 LEU A 17 -6.720 1.378 1.500 1.00 43.30 H new ATOM 0 HG LEU A 17 -9.625 0.737 2.010 1.00 65.20 H new ATOM 0 HD11 LEU A 17 -8.945 -0.313 4.131 1.00 51.30 H new ATOM 0 HD12 LEU A 17 -8.347 -1.222 2.723 1.00 51.30 H new ATOM 0 HD13 LEU A 17 -7.238 -0.179 3.645 1.00 51.30 H new ATOM 0 HD21 LEU A 17 -9.240 2.133 4.004 1.00 43.40 H new ATOM 0 HD22 LEU A 17 -7.545 2.361 3.512 1.00 43.40 H new ATOM 0 HD23 LEU A 17 -8.860 3.009 2.502 1.00 43.40 H new ATOM 133 N ALA A 18 -6.470 1.248 -1.673 1.00 15.50 N ATOM 134 CA ALA A 18 -5.348 1.557 -2.551 1.00 72.20 C ATOM 135 C ALA A 18 -5.773 2.498 -3.673 1.00 34.40 C ATOM 136 O ALA A 18 -5.006 3.363 -4.096 1.00 21.30 O ATOM 137 CB ALA A 18 -4.761 0.277 -3.128 1.00 61.40 C ATOM 0 H ALA A 18 -6.782 0.278 -1.713 1.00 15.50 H new ATOM 0 HA ALA A 18 -4.583 2.060 -1.959 1.00 72.20 H new ATOM 0 HB1 ALA A 18 -3.924 0.523 -3.782 1.00 61.40 H new ATOM 0 HB2 ALA A 18 -4.412 -0.361 -2.316 1.00 61.40 H new ATOM 0 HB3 ALA A 18 -5.526 -0.249 -3.700 1.00 61.40 H new ATOM 143 N SER A 19 -7.001 2.323 -4.152 1.00 42.20 N ATOM 144 CA SER A 19 -7.529 3.158 -5.225 1.00 1.34 C ATOM 145 C SER A 19 -7.802 4.574 -4.729 1.00 5.22 C ATOM 146 O SER A 19 -7.687 5.540 -5.484 1.00 60.30 O ATOM 147 CB SER A 19 -8.813 2.547 -5.790 1.00 24.20 C ATOM 148 OG SER A 19 -9.205 3.200 -6.985 1.00 21.40 O ATOM 0 H SER A 19 -7.648 1.611 -3.814 1.00 42.20 H new ATOM 0 HA SER A 19 -6.780 3.207 -6.015 1.00 1.34 H new ATOM 0 HB2 SER A 19 -8.659 1.486 -5.985 1.00 24.20 H new ATOM 0 HB3 SER A 19 -9.611 2.623 -5.052 1.00 24.20 H new ATOM 0 HG SER A 19 -10.027 2.790 -7.327 1.00 21.40 H new ATOM 154 N LYS A 20 -8.162 4.691 -3.455 1.00 71.40 N ATOM 155 CA LYS A 20 -8.452 5.990 -2.858 1.00 54.10 C ATOM 156 C LYS A 20 -7.164 6.751 -2.563 1.00 24.20 C ATOM 157 O LYS A 20 -7.127 7.979 -2.634 1.00 72.10 O ATOM 158 CB LYS A 20 -9.261 5.814 -1.572 1.00 22.20 C ATOM 159 CG LYS A 20 -10.240 6.947 -1.310 1.00 40.20 C ATOM 160 CD LYS A 20 -11.613 6.643 -1.888 1.00 1.32 C ATOM 161 CE LYS A 20 -12.536 6.040 -0.842 1.00 71.40 C ATOM 162 NZ LYS A 20 -13.185 7.087 -0.006 1.00 2.41 N ATOM 0 H LYS A 20 -8.260 3.902 -2.816 1.00 71.40 H new ATOM 0 HA LYS A 20 -9.039 6.568 -3.571 1.00 54.10 H new ATOM 0 HB2 LYS A 20 -9.811 4.874 -1.624 1.00 22.20 H new ATOM 0 HB3 LYS A 20 -8.575 5.735 -0.729 1.00 22.20 H new ATOM 0 HG2 LYS A 20 -10.325 7.114 -0.236 1.00 40.20 H new ATOM 0 HG3 LYS A 20 -9.856 7.869 -1.747 1.00 40.20 H new ATOM 0 HD2 LYS A 20 -12.055 7.559 -2.280 1.00 1.32 H new ATOM 0 HD3 LYS A 20 -11.512 5.954 -2.726 1.00 1.32 H new ATOM 0 HE2 LYS A 20 -13.302 5.442 -1.335 1.00 71.40 H new ATOM 0 HE3 LYS A 20 -11.968 5.365 -0.202 1.00 71.40 H new ATOM 0 HZ1 LYS A 20 -13.806 6.636 0.695 1.00 2.41 H new ATOM 0 HZ2 LYS A 20 -12.455 7.641 0.485 1.00 2.41 H new ATOM 0 HZ3 LYS A 20 -13.748 7.716 -0.613 1.00 2.41 H new ATOM 176 N ALA A 21 -6.109 6.013 -2.230 1.00 43.30 N ATOM 177 CA ALA A 21 -4.819 6.620 -1.923 1.00 61.40 C ATOM 178 C ALA A 21 -4.142 7.137 -3.187 1.00 74.20 C ATOM 179 O ALA A 21 -3.446 8.153 -3.159 1.00 63.40 O ATOM 180 CB ALA A 21 -3.922 5.617 -1.215 1.00 14.40 C ATOM 0 H ALA A 21 -6.122 4.995 -2.166 1.00 43.30 H new ATOM 0 HA ALA A 21 -4.991 7.469 -1.261 1.00 61.40 H new ATOM 0 HB1 ALA A 21 -2.962 6.082 -0.991 1.00 14.40 H new ATOM 0 HB2 ALA A 21 -4.396 5.297 -0.287 1.00 14.40 H new ATOM 0 HB3 ALA A 21 -3.765 4.752 -1.859 1.00 14.40 H new ATOM 186 N ALA A 22 -4.349 6.433 -4.295 1.00 34.10 N ATOM 187 CA ALA A 22 -3.757 6.821 -5.569 1.00 32.00 C ATOM 188 C ALA A 22 -4.477 8.026 -6.165 1.00 22.30 C ATOM 189 O ALA A 22 -3.844 9.004 -6.565 1.00 63.20 O ATOM 190 CB ALA A 22 -3.787 5.652 -6.542 1.00 1.13 C ATOM 0 H ALA A 22 -4.923 5.591 -4.336 1.00 34.10 H new ATOM 0 HA ALA A 22 -2.720 7.103 -5.389 1.00 32.00 H new ATOM 0 HB1 ALA A 22 -3.342 5.956 -7.489 1.00 1.13 H new ATOM 0 HB2 ALA A 22 -3.222 4.818 -6.126 1.00 1.13 H new ATOM 0 HB3 ALA A 22 -4.819 5.344 -6.708 1.00 1.13 H new ATOM 196 N GLN A 23 -5.803 7.949 -6.223 1.00 52.40 N ATOM 197 CA GLN A 23 -6.608 9.035 -6.773 1.00 23.40 C ATOM 198 C GLN A 23 -6.384 10.327 -5.994 1.00 63.40 C ATOM 199 O GLN A 23 -6.336 11.412 -6.573 1.00 22.50 O ATOM 200 CB GLN A 23 -8.091 8.661 -6.748 1.00 35.00 C ATOM 201 CG GLN A 23 -8.584 8.215 -5.381 1.00 41.40 C ATOM 202 CD GLN A 23 -9.315 9.316 -4.638 1.00 73.00 C ATOM 203 OE1 GLN A 23 -8.827 10.442 -4.535 1.00 33.40 O ATOM 204 NE2 GLN A 23 -10.492 8.995 -4.114 1.00 43.00 N ATOM 0 H GLN A 23 -6.342 7.147 -5.896 1.00 52.40 H new ATOM 0 HA GLN A 23 -6.298 9.197 -7.806 1.00 23.40 H new ATOM 0 HB2 GLN A 23 -8.679 9.519 -7.075 1.00 35.00 H new ATOM 0 HB3 GLN A 23 -8.267 7.861 -7.467 1.00 35.00 H new ATOM 0 HG2 GLN A 23 -9.248 7.359 -5.500 1.00 41.40 H new ATOM 0 HG3 GLN A 23 -7.736 7.880 -4.784 1.00 41.40 H new ATOM 0 HE21 GLN A 23 -10.858 8.049 -4.224 1.00 43.00 H new ATOM 0 HE22 GLN A 23 -11.030 9.694 -3.602 1.00 43.00 H new ATOM 213 N GLU A 24 -6.246 10.204 -4.678 1.00 51.10 N ATOM 214 CA GLU A 24 -6.027 11.362 -3.821 1.00 43.40 C ATOM 215 C GLU A 24 -4.668 11.997 -4.102 1.00 53.20 C ATOM 216 O GLU A 24 -4.527 13.219 -4.084 1.00 53.30 O ATOM 217 CB GLU A 24 -6.123 10.959 -2.347 1.00 33.00 C ATOM 218 CG GLU A 24 -7.446 11.336 -1.699 1.00 1.14 C ATOM 219 CD GLU A 24 -8.328 10.133 -1.427 1.00 34.00 C ATOM 220 OE1 GLU A 24 -7.910 9.256 -0.643 1.00 32.10 O ATOM 221 OE2 GLU A 24 -9.435 10.067 -1.999 1.00 43.10 O ATOM 0 H GLU A 24 -6.282 9.313 -4.182 1.00 51.10 H new ATOM 0 HA GLU A 24 -6.802 12.096 -4.039 1.00 43.40 H new ATOM 0 HB2 GLU A 24 -5.981 9.882 -2.263 1.00 33.00 H new ATOM 0 HB3 GLU A 24 -5.310 11.432 -1.796 1.00 33.00 H new ATOM 0 HG2 GLU A 24 -7.251 11.858 -0.762 1.00 1.14 H new ATOM 0 HG3 GLU A 24 -7.978 12.032 -2.347 1.00 1.14 H new ATOM 228 N ASP A 25 -3.671 11.156 -4.360 1.00 44.10 N ATOM 229 CA ASP A 25 -2.323 11.635 -4.646 1.00 52.50 C ATOM 230 C ASP A 25 -2.315 12.537 -5.876 1.00 4.51 C ATOM 231 O ASP A 25 -1.658 13.579 -5.889 1.00 21.00 O ATOM 232 CB ASP A 25 -1.374 10.454 -4.858 1.00 25.30 C ATOM 233 CG ASP A 25 0.061 10.895 -5.063 1.00 4.44 C ATOM 234 OD1 ASP A 25 0.406 11.289 -6.198 1.00 24.10 O ATOM 235 OD2 ASP A 25 0.842 10.847 -4.090 1.00 31.20 O ATOM 0 H ASP A 25 -3.771 10.141 -4.377 1.00 44.10 H new ATOM 0 HA ASP A 25 -1.982 12.217 -3.790 1.00 52.50 H new ATOM 0 HB2 ASP A 25 -1.427 9.789 -3.996 1.00 25.30 H new ATOM 0 HB3 ASP A 25 -1.702 9.879 -5.724 1.00 25.30 H new ATOM 240 N LYS A 26 -3.047 12.130 -6.907 1.00 0.11 N ATOM 241 CA LYS A 26 -3.125 12.902 -8.142 1.00 30.40 C ATOM 242 C LYS A 26 -4.123 14.047 -8.006 1.00 55.30 C ATOM 243 O LYS A 26 -3.925 15.125 -8.564 1.00 53.30 O ATOM 244 CB LYS A 26 -3.523 11.997 -9.309 1.00 43.10 C ATOM 245 CG LYS A 26 -3.364 12.651 -10.666 1.00 73.10 C ATOM 246 CD LYS A 26 -1.897 12.786 -11.049 1.00 63.20 C ATOM 247 CE LYS A 26 -1.454 11.654 -11.959 1.00 25.30 C ATOM 248 NZ LYS A 26 -1.152 10.412 -11.198 1.00 4.51 N ATOM 0 H LYS A 26 -3.595 11.270 -6.912 1.00 0.11 H new ATOM 0 HA LYS A 26 -2.140 13.325 -8.340 1.00 30.40 H new ATOM 0 HB2 LYS A 26 -2.917 11.091 -9.278 1.00 43.10 H new ATOM 0 HB3 LYS A 26 -4.561 11.690 -9.182 1.00 43.10 H new ATOM 0 HG2 LYS A 26 -3.885 12.061 -11.419 1.00 73.10 H new ATOM 0 HG3 LYS A 26 -3.831 13.636 -10.654 1.00 73.10 H new ATOM 0 HD2 LYS A 26 -1.737 13.741 -11.550 1.00 63.20 H new ATOM 0 HD3 LYS A 26 -1.283 12.792 -10.148 1.00 63.20 H new ATOM 0 HE2 LYS A 26 -2.236 11.450 -12.690 1.00 25.30 H new ATOM 0 HE3 LYS A 26 -0.569 11.962 -12.516 1.00 25.30 H new ATOM 0 HZ1 LYS A 26 -0.605 9.762 -11.798 1.00 4.51 H new ATOM 0 HZ2 LYS A 26 -0.598 10.650 -10.351 1.00 4.51 H new ATOM 0 HZ3 LYS A 26 -2.041 9.955 -10.913 1.00 4.51 H new ATOM 262 N ALA A 27 -5.197 13.803 -7.261 1.00 64.00 N ATOM 263 CA ALA A 27 -6.227 14.813 -7.053 1.00 24.30 C ATOM 264 C ALA A 27 -5.662 16.035 -6.336 1.00 51.20 C ATOM 265 O ALA A 27 -6.023 17.170 -6.644 1.00 74.20 O ATOM 266 CB ALA A 27 -7.389 14.227 -6.265 1.00 53.40 C ATOM 0 H ALA A 27 -5.376 12.915 -6.792 1.00 64.00 H new ATOM 0 HA ALA A 27 -6.589 15.133 -8.030 1.00 24.30 H new ATOM 0 HB1 ALA A 27 -8.151 14.992 -6.117 1.00 53.40 H new ATOM 0 HB2 ALA A 27 -7.818 13.390 -6.817 1.00 53.40 H new ATOM 0 HB3 ALA A 27 -7.032 13.878 -5.296 1.00 53.40 H new ATOM 272 N GLY A 28 -4.772 15.792 -5.380 1.00 1.01 N ATOM 273 CA GLY A 28 -4.170 16.882 -4.634 1.00 65.10 C ATOM 274 C GLY A 28 -3.979 16.546 -3.168 1.00 51.40 C ATOM 275 O GLY A 28 -3.074 17.070 -2.517 1.00 53.10 O ATOM 0 H GLY A 28 -4.457 14.861 -5.108 1.00 1.01 H new ATOM 0 HA2 GLY A 28 -3.205 17.131 -5.075 1.00 65.10 H new ATOM 0 HA3 GLY A 28 -4.798 17.768 -4.721 1.00 65.10 H new ATOM 279 N ASN A 29 -4.831 15.670 -2.647 1.00 70.30 N ATOM 280 CA ASN A 29 -4.752 15.264 -1.248 1.00 5.05 C ATOM 281 C ASN A 29 -3.446 14.528 -0.969 1.00 35.40 C ATOM 282 O ASN A 29 -2.812 14.000 -1.883 1.00 64.10 O ATOM 283 CB ASN A 29 -5.942 14.374 -0.886 1.00 10.20 C ATOM 284 CG ASN A 29 -7.211 15.170 -0.658 1.00 44.40 C ATOM 285 OD1 ASN A 29 -7.170 16.384 -0.459 1.00 11.10 O ATOM 286 ND2 ASN A 29 -8.351 14.488 -0.688 1.00 72.40 N ATOM 0 H ASN A 29 -5.585 15.227 -3.172 1.00 70.30 H new ATOM 0 HA ASN A 29 -4.780 16.163 -0.632 1.00 5.05 H new ATOM 0 HB2 ASN A 29 -6.108 13.652 -1.685 1.00 10.20 H new ATOM 0 HB3 ASN A 29 -5.706 13.805 0.014 1.00 10.20 H new ATOM 0 HD21 ASN A 29 -9.238 14.970 -0.543 1.00 72.40 H new ATOM 0 HD22 ASN A 29 -8.339 13.482 -0.856 1.00 72.40 H new ATOM 293 N TYR A 30 -3.051 14.495 0.300 1.00 12.20 N ATOM 294 CA TYR A 30 -1.820 13.823 0.699 1.00 53.40 C ATOM 295 C TYR A 30 -1.984 13.149 2.058 1.00 22.30 C ATOM 296 O TYR A 30 -1.620 11.987 2.234 1.00 43.10 O ATOM 297 CB TYR A 30 -0.662 14.820 0.747 1.00 4.32 C ATOM 298 CG TYR A 30 -0.405 15.515 -0.570 1.00 12.10 C ATOM 299 CD1 TYR A 30 -0.185 14.785 -1.732 1.00 33.50 C ATOM 300 CD2 TYR A 30 -0.382 16.902 -0.654 1.00 60.50 C ATOM 301 CE1 TYR A 30 0.050 15.417 -2.939 1.00 5.30 C ATOM 302 CE2 TYR A 30 -0.148 17.541 -1.857 1.00 53.10 C ATOM 303 CZ TYR A 30 0.067 16.794 -2.995 1.00 11.00 C ATOM 304 OH TYR A 30 0.302 17.426 -4.195 1.00 52.40 O ATOM 0 H TYR A 30 -3.565 14.925 1.069 1.00 12.20 H new ATOM 0 HA TYR A 30 -1.598 13.055 -0.042 1.00 53.40 H new ATOM 0 HB2 TYR A 30 -0.872 15.571 1.509 1.00 4.32 H new ATOM 0 HB3 TYR A 30 0.244 14.297 1.055 1.00 4.32 H new ATOM 0 HD1 TYR A 30 -0.198 13.706 -1.691 1.00 33.50 H new ATOM 0 HD2 TYR A 30 -0.550 17.491 0.236 1.00 60.50 H new ATOM 0 HE1 TYR A 30 0.219 14.835 -3.833 1.00 5.30 H new ATOM 0 HE2 TYR A 30 -0.134 18.620 -1.905 1.00 53.10 H new ATOM 0 HH TYR A 30 0.280 18.397 -4.063 1.00 52.40 H new ATOM 314 N GLU A 31 -2.533 13.888 3.016 1.00 31.10 N ATOM 315 CA GLU A 31 -2.744 13.363 4.360 1.00 64.50 C ATOM 316 C GLU A 31 -3.654 12.140 4.331 1.00 74.20 C ATOM 317 O GLU A 31 -3.317 11.089 4.876 1.00 44.10 O ATOM 318 CB GLU A 31 -3.348 14.440 5.263 1.00 44.30 C ATOM 319 CG GLU A 31 -2.925 14.322 6.718 1.00 20.40 C ATOM 320 CD GLU A 31 -3.959 13.608 7.569 1.00 3.22 C ATOM 321 OE1 GLU A 31 -4.503 12.583 7.105 1.00 32.20 O ATOM 322 OE2 GLU A 31 -4.223 14.074 8.697 1.00 24.10 O ATOM 0 H GLU A 31 -2.840 14.852 2.887 1.00 31.10 H new ATOM 0 HA GLU A 31 -1.776 13.064 4.761 1.00 64.50 H new ATOM 0 HB2 GLU A 31 -3.058 15.421 4.888 1.00 44.30 H new ATOM 0 HB3 GLU A 31 -4.435 14.384 5.204 1.00 44.30 H new ATOM 0 HG2 GLU A 31 -1.979 13.784 6.775 1.00 20.40 H new ATOM 0 HG3 GLU A 31 -2.751 15.318 7.124 1.00 20.40 H new ATOM 329 N GLU A 32 -4.809 12.283 3.689 1.00 71.30 N ATOM 330 CA GLU A 32 -5.768 11.189 3.588 1.00 54.10 C ATOM 331 C GLU A 32 -5.232 10.078 2.692 1.00 3.42 C ATOM 332 O GLU A 32 -5.527 8.901 2.901 1.00 41.40 O ATOM 333 CB GLU A 32 -7.103 11.701 3.042 1.00 24.20 C ATOM 334 CG GLU A 32 -6.960 12.572 1.804 1.00 22.20 C ATOM 335 CD GLU A 32 -7.046 14.052 2.120 1.00 62.40 C ATOM 336 OE1 GLU A 32 -6.011 14.637 2.505 1.00 22.10 O ATOM 337 OE2 GLU A 32 -8.145 14.627 1.982 1.00 54.20 O ATOM 0 H GLU A 32 -5.103 13.146 3.231 1.00 71.30 H new ATOM 0 HA GLU A 32 -5.924 10.783 4.587 1.00 54.10 H new ATOM 0 HB2 GLU A 32 -7.740 10.849 2.805 1.00 24.20 H new ATOM 0 HB3 GLU A 32 -7.610 12.271 3.821 1.00 24.20 H new ATOM 0 HG2 GLU A 32 -6.004 12.362 1.325 1.00 22.20 H new ATOM 0 HG3 GLU A 32 -7.740 12.311 1.088 1.00 22.20 H new ATOM 344 N ALA A 33 -4.442 10.460 1.693 1.00 53.50 N ATOM 345 CA ALA A 33 -3.864 9.495 0.765 1.00 31.00 C ATOM 346 C ALA A 33 -2.767 8.678 1.438 1.00 45.40 C ATOM 347 O ALA A 33 -2.626 7.481 1.185 1.00 32.00 O ATOM 348 CB ALA A 33 -3.317 10.207 -0.463 1.00 63.40 C ATOM 0 H ALA A 33 -4.188 11.430 1.506 1.00 53.50 H new ATOM 0 HA ALA A 33 -4.652 8.810 0.453 1.00 31.00 H new ATOM 0 HB1 ALA A 33 -2.888 9.475 -1.147 1.00 63.40 H new ATOM 0 HB2 ALA A 33 -4.124 10.742 -0.963 1.00 63.40 H new ATOM 0 HB3 ALA A 33 -2.546 10.915 -0.160 1.00 63.40 H new ATOM 354 N LEU A 34 -1.989 9.332 2.295 1.00 42.20 N ATOM 355 CA LEU A 34 -0.903 8.666 3.004 1.00 4.33 C ATOM 356 C LEU A 34 -1.436 7.526 3.866 1.00 5.51 C ATOM 357 O LEU A 34 -0.980 6.387 3.757 1.00 70.10 O ATOM 358 CB LEU A 34 -0.143 9.668 3.875 1.00 33.50 C ATOM 359 CG LEU A 34 1.362 9.423 3.983 1.00 43.20 C ATOM 360 CD1 LEU A 34 2.002 10.432 4.924 1.00 60.40 C ATOM 361 CD2 LEU A 34 1.637 8.002 4.454 1.00 3.24 C ATOM 0 H LEU A 34 -2.091 10.323 2.515 1.00 42.20 H new ATOM 0 HA LEU A 34 -0.220 8.250 2.263 1.00 4.33 H new ATOM 0 HB2 LEU A 34 -0.305 10.669 3.475 1.00 33.50 H new ATOM 0 HB3 LEU A 34 -0.571 9.652 4.877 1.00 33.50 H new ATOM 0 HG LEU A 34 1.804 9.550 2.995 1.00 43.20 H new ATOM 0 HD11 LEU A 34 3.073 10.241 4.988 1.00 60.40 H new ATOM 0 HD12 LEU A 34 1.835 11.440 4.545 1.00 60.40 H new ATOM 0 HD13 LEU A 34 1.557 10.339 5.915 1.00 60.40 H new ATOM 0 HD21 LEU A 34 2.713 7.844 4.525 1.00 3.24 H new ATOM 0 HD22 LEU A 34 1.182 7.849 5.433 1.00 3.24 H new ATOM 0 HD23 LEU A 34 1.213 7.294 3.742 1.00 3.24 H new ATOM 373 N GLN A 35 -2.402 7.841 4.722 1.00 70.20 N ATOM 374 CA GLN A 35 -2.998 6.842 5.603 1.00 74.30 C ATOM 375 C GLN A 35 -3.696 5.752 4.797 1.00 65.30 C ATOM 376 O GLN A 35 -3.730 4.591 5.204 1.00 42.00 O ATOM 377 CB GLN A 35 -3.993 7.504 6.558 1.00 50.10 C ATOM 378 CG GLN A 35 -5.184 8.133 5.856 1.00 71.10 C ATOM 379 CD GLN A 35 -6.189 8.723 6.827 1.00 12.20 C ATOM 380 OE1 GLN A 35 -7.084 8.028 7.308 1.00 13.20 O ATOM 381 NE2 GLN A 35 -6.044 10.010 7.118 1.00 30.10 N ATOM 0 H GLN A 35 -2.789 8.779 4.825 1.00 70.20 H new ATOM 0 HA GLN A 35 -2.198 6.382 6.184 1.00 74.30 H new ATOM 0 HB2 GLN A 35 -4.352 6.759 7.268 1.00 50.10 H new ATOM 0 HB3 GLN A 35 -3.475 8.271 7.134 1.00 50.10 H new ATOM 0 HG2 GLN A 35 -4.833 8.915 5.183 1.00 71.10 H new ATOM 0 HG3 GLN A 35 -5.677 7.381 5.241 1.00 71.10 H new ATOM 0 HE21 GLN A 35 -5.287 10.546 6.695 1.00 30.10 H new ATOM 0 HE22 GLN A 35 -6.690 10.463 7.765 1.00 30.10 H new ATOM 390 N LEU A 36 -4.252 6.135 3.652 1.00 13.40 N ATOM 391 CA LEU A 36 -4.950 5.190 2.787 1.00 72.20 C ATOM 392 C LEU A 36 -3.962 4.267 2.081 1.00 61.40 C ATOM 393 O LEU A 36 -4.273 3.110 1.796 1.00 12.50 O ATOM 394 CB LEU A 36 -5.795 5.939 1.756 1.00 64.30 C ATOM 395 CG LEU A 36 -7.207 6.305 2.219 1.00 24.40 C ATOM 396 CD1 LEU A 36 -7.872 7.237 1.217 1.00 21.40 C ATOM 397 CD2 LEU A 36 -8.044 5.050 2.420 1.00 45.20 C ATOM 0 H LEU A 36 -4.233 7.093 3.302 1.00 13.40 H new ATOM 0 HA LEU A 36 -5.606 4.581 3.409 1.00 72.20 H new ATOM 0 HB2 LEU A 36 -5.272 6.854 1.476 1.00 64.30 H new ATOM 0 HB3 LEU A 36 -5.871 5.327 0.857 1.00 64.30 H new ATOM 0 HG LEU A 36 -7.133 6.825 3.174 1.00 24.40 H new ATOM 0 HD11 LEU A 36 -8.875 7.487 1.563 1.00 21.40 H new ATOM 0 HD12 LEU A 36 -7.283 8.149 1.122 1.00 21.40 H new ATOM 0 HD13 LEU A 36 -7.935 6.744 0.247 1.00 21.40 H new ATOM 0 HD21 LEU A 36 -9.045 5.329 2.749 1.00 45.20 H new ATOM 0 HD22 LEU A 36 -8.111 4.503 1.480 1.00 45.20 H new ATOM 0 HD23 LEU A 36 -7.577 4.418 3.175 1.00 45.20 H new ATOM 409 N TYR A 37 -2.772 4.787 1.800 1.00 21.10 N ATOM 410 CA TYR A 37 -1.738 4.009 1.127 1.00 2.21 C ATOM 411 C TYR A 37 -1.306 2.823 1.981 1.00 52.30 C ATOM 412 O TYR A 37 -1.348 1.676 1.535 1.00 64.10 O ATOM 413 CB TYR A 37 -0.530 4.893 0.812 1.00 24.10 C ATOM 414 CG TYR A 37 -0.638 5.620 -0.509 1.00 74.40 C ATOM 415 CD1 TYR A 37 -0.949 4.935 -1.677 1.00 33.20 C ATOM 416 CD2 TYR A 37 -0.429 6.991 -0.589 1.00 51.40 C ATOM 417 CE1 TYR A 37 -1.048 5.596 -2.887 1.00 3.52 C ATOM 418 CE2 TYR A 37 -0.527 7.659 -1.794 1.00 73.40 C ATOM 419 CZ TYR A 37 -0.837 6.958 -2.940 1.00 45.10 C ATOM 420 OH TYR A 37 -0.935 7.619 -4.143 1.00 5.24 O ATOM 0 H TYR A 37 -2.500 5.743 2.028 1.00 21.10 H new ATOM 0 HA TYR A 37 -2.154 3.628 0.194 1.00 2.21 H new ATOM 0 HB2 TYR A 37 -0.408 5.625 1.611 1.00 24.10 H new ATOM 0 HB3 TYR A 37 0.369 4.276 0.805 1.00 24.10 H new ATOM 0 HD1 TYR A 37 -1.116 3.869 -1.639 1.00 33.20 H new ATOM 0 HD2 TYR A 37 -0.186 7.544 0.306 1.00 51.40 H new ATOM 0 HE1 TYR A 37 -1.289 5.049 -3.786 1.00 3.52 H new ATOM 0 HE2 TYR A 37 -0.362 8.725 -1.838 1.00 73.40 H new ATOM 0 HH TYR A 37 -0.728 7.000 -4.874 1.00 5.24 H new ATOM 430 N GLN A 38 -0.890 3.106 3.211 1.00 64.10 N ATOM 431 CA GLN A 38 -0.451 2.061 4.129 1.00 2.45 C ATOM 432 C GLN A 38 -1.581 1.079 4.419 1.00 54.10 C ATOM 433 O GLN A 38 -1.372 -0.133 4.452 1.00 42.50 O ATOM 434 CB GLN A 38 0.051 2.679 5.435 1.00 64.10 C ATOM 435 CG GLN A 38 1.147 3.714 5.237 1.00 33.30 C ATOM 436 CD GLN A 38 1.327 4.611 6.446 1.00 63.30 C ATOM 437 OE1 GLN A 38 0.792 4.339 7.521 1.00 34.10 O ATOM 438 NE2 GLN A 38 2.083 5.689 6.276 1.00 24.40 N ATOM 0 H GLN A 38 -0.848 4.050 3.595 1.00 64.10 H new ATOM 0 HA GLN A 38 0.365 1.516 3.655 1.00 2.45 H new ATOM 0 HB2 GLN A 38 -0.788 3.145 5.953 1.00 64.10 H new ATOM 0 HB3 GLN A 38 0.425 1.886 6.083 1.00 64.10 H new ATOM 0 HG2 GLN A 38 2.087 3.206 5.023 1.00 33.30 H new ATOM 0 HG3 GLN A 38 0.910 4.326 4.367 1.00 33.30 H new ATOM 0 HE21 GLN A 38 2.507 5.876 5.368 1.00 24.40 H new ATOM 0 HE22 GLN A 38 2.239 6.330 7.054 1.00 24.40 H new ATOM 447 N HIS A 39 -2.781 1.613 4.629 1.00 31.30 N ATOM 448 CA HIS A 39 -3.946 0.784 4.916 1.00 1.52 C ATOM 449 C HIS A 39 -4.223 -0.183 3.769 1.00 74.00 C ATOM 450 O HIS A 39 -4.554 -1.347 3.991 1.00 0.34 O ATOM 451 CB HIS A 39 -5.173 1.662 5.166 1.00 4.55 C ATOM 452 CG HIS A 39 -5.293 2.133 6.582 1.00 71.20 C ATOM 453 ND1 HIS A 39 -6.428 1.949 7.344 1.00 43.40 N ATOM 454 CD2 HIS A 39 -4.410 2.786 7.376 1.00 75.40 C ATOM 455 CE1 HIS A 39 -6.238 2.469 8.544 1.00 2.11 C ATOM 456 NE2 HIS A 39 -5.023 2.981 8.590 1.00 74.50 N ATOM 0 H HIS A 39 -2.971 2.615 4.606 1.00 31.30 H new ATOM 0 HA HIS A 39 -3.735 0.203 5.813 1.00 1.52 H new ATOM 0 HB2 HIS A 39 -5.130 2.528 4.506 1.00 4.55 H new ATOM 0 HB3 HIS A 39 -6.070 1.103 4.900 1.00 4.55 H new ATOM 0 HD2 HIS A 39 -3.411 3.095 7.105 1.00 75.40 H new ATOM 0 HE1 HIS A 39 -6.956 2.474 9.351 1.00 2.11 H new ATOM 0 HE2 HIS A 39 -4.606 3.446 9.396 1.00 74.50 H new ATOM 465 N ALA A 40 -4.085 0.309 2.542 1.00 4.13 N ATOM 466 CA ALA A 40 -4.321 -0.511 1.360 1.00 42.20 C ATOM 467 C ALA A 40 -3.210 -1.539 1.175 1.00 53.00 C ATOM 468 O ALA A 40 -3.474 -2.714 0.919 1.00 14.40 O ATOM 469 CB ALA A 40 -4.440 0.368 0.124 1.00 51.50 C ATOM 0 H ALA A 40 -3.811 1.271 2.341 1.00 4.13 H new ATOM 0 HA ALA A 40 -5.258 -1.049 1.502 1.00 42.20 H new ATOM 0 HB1 ALA A 40 -4.616 -0.257 -0.751 1.00 51.50 H new ATOM 0 HB2 ALA A 40 -5.272 1.060 0.249 1.00 51.50 H new ATOM 0 HB3 ALA A 40 -3.517 0.931 -0.012 1.00 51.50 H new ATOM 475 N VAL A 41 -1.967 -1.089 1.307 1.00 71.30 N ATOM 476 CA VAL A 41 -0.815 -1.971 1.154 1.00 75.50 C ATOM 477 C VAL A 41 -0.812 -3.058 2.224 1.00 71.40 C ATOM 478 O VAL A 41 -0.367 -4.180 1.980 1.00 0.13 O ATOM 479 CB VAL A 41 0.509 -1.185 1.232 1.00 34.20 C ATOM 480 CG1 VAL A 41 1.689 -2.092 0.917 1.00 75.40 C ATOM 481 CG2 VAL A 41 0.479 0.009 0.288 1.00 51.00 C ATOM 0 H VAL A 41 -1.731 -0.120 1.519 1.00 71.30 H new ATOM 0 HA VAL A 41 -0.897 -2.432 0.170 1.00 75.50 H new ATOM 0 HB VAL A 41 0.628 -0.812 2.249 1.00 34.20 H new ATOM 0 HG11 VAL A 41 2.614 -1.519 0.977 1.00 75.40 H new ATOM 0 HG12 VAL A 41 1.721 -2.910 1.637 1.00 75.40 H new ATOM 0 HG13 VAL A 41 1.578 -2.497 -0.089 1.00 75.40 H new ATOM 0 HG21 VAL A 41 1.422 0.551 0.357 1.00 51.00 H new ATOM 0 HG22 VAL A 41 0.335 -0.339 -0.735 1.00 51.00 H new ATOM 0 HG23 VAL A 41 -0.341 0.671 0.565 1.00 51.00 H new ATOM 491 N GLN A 42 -1.308 -2.717 3.408 1.00 72.10 N ATOM 492 CA GLN A 42 -1.363 -3.665 4.516 1.00 33.40 C ATOM 493 C GLN A 42 -2.366 -4.777 4.231 1.00 32.10 C ATOM 494 O GLN A 42 -2.081 -5.955 4.448 1.00 12.50 O ATOM 495 CB GLN A 42 -1.737 -2.945 5.813 1.00 71.30 C ATOM 496 CG GLN A 42 -0.559 -2.263 6.491 1.00 64.20 C ATOM 497 CD GLN A 42 -0.574 -2.435 7.997 1.00 33.50 C ATOM 498 OE1 GLN A 42 -0.990 -1.538 8.731 1.00 22.20 O ATOM 499 NE2 GLN A 42 -0.120 -3.591 8.466 1.00 53.30 N ATOM 0 H GLN A 42 -1.678 -1.792 3.626 1.00 72.10 H new ATOM 0 HA GLN A 42 -0.375 -4.112 4.629 1.00 33.40 H new ATOM 0 HB2 GLN A 42 -2.503 -2.200 5.598 1.00 71.30 H new ATOM 0 HB3 GLN A 42 -2.177 -3.664 6.504 1.00 71.30 H new ATOM 0 HG2 GLN A 42 0.370 -2.669 6.092 1.00 64.20 H new ATOM 0 HG3 GLN A 42 -0.571 -1.200 6.250 1.00 64.20 H new ATOM 0 HE21 GLN A 42 0.215 -4.307 7.821 1.00 53.30 H new ATOM 0 HE22 GLN A 42 -0.107 -3.764 9.471 1.00 53.30 H new ATOM 508 N TYR A 43 -3.543 -4.396 3.745 1.00 60.40 N ATOM 509 CA TYR A 43 -4.590 -5.362 3.431 1.00 12.30 C ATOM 510 C TYR A 43 -4.189 -6.231 2.244 1.00 11.20 C ATOM 511 O TYR A 43 -4.536 -7.410 2.178 1.00 40.00 O ATOM 512 CB TYR A 43 -5.905 -4.641 3.129 1.00 53.00 C ATOM 513 CG TYR A 43 -6.747 -4.379 4.358 1.00 41.30 C ATOM 514 CD1 TYR A 43 -7.285 -5.429 5.092 1.00 73.40 C ATOM 515 CD2 TYR A 43 -7.004 -3.082 4.783 1.00 52.10 C ATOM 516 CE1 TYR A 43 -8.055 -5.194 6.216 1.00 33.50 C ATOM 517 CE2 TYR A 43 -7.773 -2.838 5.906 1.00 53.20 C ATOM 518 CZ TYR A 43 -8.296 -3.898 6.618 1.00 14.20 C ATOM 519 OH TYR A 43 -9.062 -3.659 7.736 1.00 44.10 O ATOM 0 H TYR A 43 -3.796 -3.425 3.560 1.00 60.40 H new ATOM 0 HA TYR A 43 -4.728 -6.006 4.300 1.00 12.30 H new ATOM 0 HB2 TYR A 43 -5.686 -3.692 2.640 1.00 53.00 H new ATOM 0 HB3 TYR A 43 -6.483 -5.237 2.423 1.00 53.00 H new ATOM 0 HD1 TYR A 43 -7.099 -6.446 4.779 1.00 73.40 H new ATOM 0 HD2 TYR A 43 -6.597 -2.250 4.227 1.00 52.10 H new ATOM 0 HE1 TYR A 43 -8.465 -6.021 6.776 1.00 33.50 H new ATOM 0 HE2 TYR A 43 -7.963 -1.824 6.224 1.00 53.20 H new ATOM 0 HH TYR A 43 -9.134 -2.693 7.883 1.00 44.10 H new ATOM 529 N PHE A 44 -3.457 -5.639 1.306 1.00 55.40 N ATOM 530 CA PHE A 44 -3.007 -6.356 0.119 1.00 1.41 C ATOM 531 C PHE A 44 -2.176 -7.578 0.502 1.00 22.20 C ATOM 532 O PHE A 44 -2.457 -8.694 0.063 1.00 4.21 O ATOM 533 CB PHE A 44 -2.188 -5.427 -0.778 1.00 52.10 C ATOM 534 CG PHE A 44 -2.964 -4.879 -1.942 1.00 11.40 C ATOM 535 CD1 PHE A 44 -3.685 -5.725 -2.770 1.00 23.00 C ATOM 536 CD2 PHE A 44 -2.971 -3.520 -2.208 1.00 54.20 C ATOM 537 CE1 PHE A 44 -4.399 -5.223 -3.841 1.00 61.30 C ATOM 538 CE2 PHE A 44 -3.683 -3.013 -3.279 1.00 62.40 C ATOM 539 CZ PHE A 44 -4.399 -3.866 -4.096 1.00 24.10 C ATOM 0 H PHE A 44 -3.163 -4.663 1.345 1.00 55.40 H new ATOM 0 HA PHE A 44 -3.887 -6.697 -0.427 1.00 1.41 H new ATOM 0 HB2 PHE A 44 -1.811 -4.597 -0.180 1.00 52.10 H new ATOM 0 HB3 PHE A 44 -1.320 -5.970 -1.153 1.00 52.10 H new ATOM 0 HD1 PHE A 44 -3.689 -6.787 -2.576 1.00 23.00 H new ATOM 0 HD2 PHE A 44 -2.414 -2.849 -1.571 1.00 54.20 H new ATOM 0 HE1 PHE A 44 -4.957 -5.892 -4.479 1.00 61.30 H new ATOM 0 HE2 PHE A 44 -3.679 -1.951 -3.477 1.00 62.40 H new ATOM 0 HZ PHE A 44 -4.958 -3.472 -4.932 1.00 24.10 H new ATOM 549 N LEU A 45 -1.155 -7.360 1.322 1.00 0.13 N ATOM 550 CA LEU A 45 -0.283 -8.443 1.764 1.00 34.10 C ATOM 551 C LEU A 45 -1.024 -9.388 2.705 1.00 73.20 C ATOM 552 O LEU A 45 -0.731 -10.575 2.761 1.00 73.10 O ATOM 553 CB LEU A 45 0.955 -7.878 2.461 1.00 1.13 C ATOM 554 CG LEU A 45 2.228 -8.697 2.285 1.00 11.10 C ATOM 555 CD1 LEU A 45 2.681 -8.680 0.834 1.00 64.30 C ATOM 556 CD2 LEU A 45 3.332 -8.182 3.197 1.00 10.40 C ATOM 0 H LEU A 45 -0.910 -6.443 1.695 1.00 0.13 H new ATOM 0 HA LEU A 45 0.030 -9.006 0.884 1.00 34.10 H new ATOM 0 HB2 LEU A 45 1.135 -6.870 2.086 1.00 1.13 H new ATOM 0 HB3 LEU A 45 0.744 -7.789 3.527 1.00 1.13 H new ATOM 0 HG LEU A 45 2.009 -9.728 2.564 1.00 11.10 H new ATOM 0 HD11 LEU A 45 3.591 -9.270 0.730 1.00 64.30 H new ATOM 0 HD12 LEU A 45 1.899 -9.104 0.204 1.00 64.30 H new ATOM 0 HD13 LEU A 45 2.878 -7.653 0.526 1.00 64.30 H new ATOM 0 HD21 LEU A 45 4.231 -8.782 3.054 1.00 10.40 H new ATOM 0 HD22 LEU A 45 3.548 -7.141 2.955 1.00 10.40 H new ATOM 0 HD23 LEU A 45 3.009 -8.254 4.236 1.00 10.40 H new ATOM 568 N HIS A 46 -1.987 -8.846 3.444 1.00 51.00 N ATOM 569 CA HIS A 46 -2.770 -9.642 4.383 1.00 71.10 C ATOM 570 C HIS A 46 -3.489 -10.781 3.667 1.00 75.20 C ATOM 571 O HIS A 46 -3.387 -11.941 4.066 1.00 53.30 O ATOM 572 CB HIS A 46 -3.786 -8.759 5.108 1.00 11.40 C ATOM 573 CG HIS A 46 -4.520 -9.467 6.205 1.00 72.10 C ATOM 574 ND1 HIS A 46 -4.601 -8.981 7.493 1.00 71.40 N ATOM 575 CD2 HIS A 46 -5.210 -10.633 6.200 1.00 32.20 C ATOM 576 CE1 HIS A 46 -5.308 -9.817 8.233 1.00 50.40 C ATOM 577 NE2 HIS A 46 -5.689 -10.827 7.472 1.00 31.30 N ATOM 0 H HIS A 46 -2.244 -7.859 3.411 1.00 51.00 H new ATOM 0 HA HIS A 46 -2.085 -10.072 5.113 1.00 71.10 H new ATOM 0 HB2 HIS A 46 -3.271 -7.894 5.526 1.00 11.40 H new ATOM 0 HB3 HIS A 46 -4.508 -8.381 4.384 1.00 11.40 H new ATOM 0 HD2 HIS A 46 -5.356 -11.288 5.353 1.00 32.20 H new ATOM 0 HE1 HIS A 46 -5.536 -9.695 9.282 1.00 50.40 H new ATOM 0 HE2 HIS A 46 -6.249 -11.622 7.780 1.00 31.30 H new ATOM 586 N VAL A 47 -4.214 -10.441 2.606 1.00 23.20 N ATOM 587 CA VAL A 47 -4.949 -11.436 1.834 1.00 34.30 C ATOM 588 C VAL A 47 -4.003 -12.408 1.153 1.00 41.10 C ATOM 589 O VAL A 47 -4.300 -13.601 1.033 1.00 40.40 O ATOM 590 CB VAL A 47 -5.838 -10.774 0.764 1.00 34.10 C ATOM 591 CG1 VAL A 47 -7.033 -10.091 1.412 1.00 31.20 C ATOM 592 CG2 VAL A 47 -5.033 -9.783 -0.062 1.00 62.40 C ATOM 0 H VAL A 47 -4.308 -9.485 2.262 1.00 23.20 H new ATOM 0 HA VAL A 47 -5.581 -11.977 2.538 1.00 34.30 H new ATOM 0 HB VAL A 47 -6.210 -11.551 0.096 1.00 34.10 H new ATOM 0 HG11 VAL A 47 -7.650 -9.629 0.641 1.00 31.20 H new ATOM 0 HG12 VAL A 47 -7.623 -10.829 1.955 1.00 31.20 H new ATOM 0 HG13 VAL A 47 -6.683 -9.325 2.104 1.00 31.20 H new ATOM 0 HG21 VAL A 47 -5.678 -9.326 -0.812 1.00 62.40 H new ATOM 0 HG22 VAL A 47 -4.630 -9.008 0.590 1.00 62.40 H new ATOM 0 HG23 VAL A 47 -4.213 -10.303 -0.557 1.00 62.40 H new ATOM 602 N VAL A 48 -2.856 -11.903 0.711 1.00 63.30 N ATOM 603 CA VAL A 48 -1.858 -12.742 0.044 1.00 42.30 C ATOM 604 C VAL A 48 -1.285 -13.783 0.998 1.00 64.10 C ATOM 605 O VAL A 48 -0.994 -14.908 0.599 1.00 23.20 O ATOM 606 CB VAL A 48 -0.707 -11.890 -0.526 1.00 30.30 C ATOM 607 CG1 VAL A 48 0.244 -12.755 -1.342 1.00 73.10 C ATOM 608 CG2 VAL A 48 -1.251 -10.743 -1.366 1.00 74.20 C ATOM 0 H VAL A 48 -2.592 -10.922 0.800 1.00 63.30 H new ATOM 0 HA VAL A 48 -2.366 -13.251 -0.775 1.00 42.30 H new ATOM 0 HB VAL A 48 -0.150 -11.463 0.308 1.00 30.30 H new ATOM 0 HG11 VAL A 48 1.050 -12.137 -1.737 1.00 73.10 H new ATOM 0 HG12 VAL A 48 0.663 -13.535 -0.706 1.00 73.10 H new ATOM 0 HG13 VAL A 48 -0.299 -13.213 -2.168 1.00 73.10 H new ATOM 0 HG21 VAL A 48 -0.422 -10.154 -1.759 1.00 74.20 H new ATOM 0 HG22 VAL A 48 -1.836 -11.144 -2.194 1.00 74.20 H new ATOM 0 HG23 VAL A 48 -1.886 -10.108 -0.748 1.00 74.20 H new ATOM 618 N LYS A 49 -1.130 -13.394 2.261 1.00 72.10 N ATOM 619 CA LYS A 49 -0.591 -14.294 3.272 1.00 31.40 C ATOM 620 C LYS A 49 -1.589 -15.398 3.608 1.00 61.10 C ATOM 621 O LYS A 49 -1.201 -16.519 3.949 1.00 5.00 O ATOM 622 CB LYS A 49 -0.227 -13.520 4.539 1.00 13.30 C ATOM 623 CG LYS A 49 0.927 -12.548 4.349 1.00 32.40 C ATOM 624 CD LYS A 49 0.817 -11.358 5.290 1.00 2.50 C ATOM 625 CE LYS A 49 2.184 -10.764 5.590 1.00 24.20 C ATOM 626 NZ LYS A 49 2.072 -9.443 6.276 1.00 21.20 N ATOM 0 H LYS A 49 -1.370 -12.465 2.606 1.00 72.10 H new ATOM 0 HA LYS A 49 0.310 -14.753 2.865 1.00 31.40 H new ATOM 0 HB2 LYS A 49 -1.103 -12.969 4.882 1.00 13.30 H new ATOM 0 HB3 LYS A 49 0.032 -14.229 5.326 1.00 13.30 H new ATOM 0 HG2 LYS A 49 1.871 -13.064 4.523 1.00 32.40 H new ATOM 0 HG3 LYS A 49 0.942 -12.197 3.317 1.00 32.40 H new ATOM 0 HD2 LYS A 49 0.177 -10.597 4.844 1.00 2.50 H new ATOM 0 HD3 LYS A 49 0.341 -11.669 6.220 1.00 2.50 H new ATOM 0 HE2 LYS A 49 2.751 -11.453 6.216 1.00 24.20 H new ATOM 0 HE3 LYS A 49 2.742 -10.646 4.661 1.00 24.20 H new ATOM 0 HZ1 LYS A 49 3.021 -9.037 6.404 1.00 21.20 H new ATOM 0 HZ2 LYS A 49 1.495 -8.799 5.698 1.00 21.20 H new ATOM 0 HZ3 LYS A 49 1.622 -9.571 7.205 1.00 21.20 H new ATOM 640 N TYR A 50 -2.877 -15.075 3.509 1.00 2.41 N ATOM 641 CA TYR A 50 -3.930 -16.039 3.803 1.00 41.20 C ATOM 642 C TYR A 50 -4.790 -16.301 2.570 1.00 14.30 C ATOM 643 O TYR A 50 -5.979 -16.598 2.684 1.00 40.40 O ATOM 644 CB TYR A 50 -4.801 -15.543 4.953 1.00 2.52 C ATOM 645 CG TYR A 50 -4.035 -15.282 6.230 1.00 4.00 C ATOM 646 CD1 TYR A 50 -3.067 -14.289 6.293 1.00 41.20 C ATOM 647 CD2 TYR A 50 -4.277 -16.037 7.372 1.00 13.50 C ATOM 648 CE1 TYR A 50 -2.364 -14.050 7.459 1.00 42.10 C ATOM 649 CE2 TYR A 50 -3.579 -15.801 8.540 1.00 43.30 C ATOM 650 CZ TYR A 50 -2.622 -14.813 8.579 1.00 73.50 C ATOM 651 OH TYR A 50 -1.923 -14.578 9.741 1.00 1.31 O ATOM 0 H TYR A 50 -3.214 -14.154 3.228 1.00 2.41 H new ATOM 0 HA TYR A 50 -3.456 -16.976 4.097 1.00 41.20 H new ATOM 0 HB2 TYR A 50 -5.302 -14.625 4.647 1.00 2.52 H new ATOM 0 HB3 TYR A 50 -5.579 -16.280 5.151 1.00 2.52 H new ATOM 0 HD1 TYR A 50 -2.860 -13.693 5.416 1.00 41.20 H new ATOM 0 HD2 TYR A 50 -5.021 -16.819 7.345 1.00 13.50 H new ATOM 0 HE1 TYR A 50 -1.617 -13.271 7.493 1.00 42.10 H new ATOM 0 HE2 TYR A 50 -3.784 -16.391 9.421 1.00 43.30 H new ATOM 0 HH TYR A 50 -2.225 -15.200 10.436 1.00 1.31 H new ATOM 661 N GLU A 51 -4.182 -16.191 1.393 1.00 74.40 N ATOM 662 CA GLU A 51 -4.891 -16.423 0.141 1.00 31.00 C ATOM 663 C GLU A 51 -3.951 -16.280 -1.052 1.00 53.50 C ATOM 664 O GLU A 51 -3.863 -15.214 -1.664 1.00 0.34 O ATOM 665 CB GLU A 51 -6.049 -15.430 0.010 1.00 42.10 C ATOM 666 CG GLU A 51 -7.272 -16.024 -0.689 1.00 43.50 C ATOM 667 CD GLU A 51 -8.572 -15.595 -0.036 1.00 75.20 C ATOM 668 OE1 GLU A 51 -8.747 -14.380 0.210 1.00 72.40 O ATOM 669 OE2 GLU A 51 -9.417 -16.477 0.227 1.00 65.20 O ATOM 0 H GLU A 51 -3.199 -15.942 1.281 1.00 74.40 H new ATOM 0 HA GLU A 51 -5.282 -17.440 0.151 1.00 31.00 H new ATOM 0 HB2 GLU A 51 -6.337 -15.084 1.003 1.00 42.10 H new ATOM 0 HB3 GLU A 51 -5.709 -14.556 -0.546 1.00 42.10 H new ATOM 0 HG2 GLU A 51 -7.275 -15.717 -1.735 1.00 43.50 H new ATOM 0 HG3 GLU A 51 -7.203 -17.112 -0.676 1.00 43.50 H new ATOM 676 N ALA A 52 -3.250 -17.365 -1.378 1.00 53.50 N ATOM 677 CA ALA A 52 -2.318 -17.359 -2.497 1.00 63.40 C ATOM 678 C ALA A 52 -2.709 -18.390 -3.542 1.00 51.20 C ATOM 679 O ALA A 52 -2.137 -19.470 -3.616 1.00 13.40 O ATOM 680 CB ALA A 52 -0.905 -17.625 -2.004 1.00 2.25 C ATOM 0 H ALA A 52 -3.311 -18.255 -0.883 1.00 53.50 H new ATOM 0 HA ALA A 52 -2.355 -16.374 -2.962 1.00 63.40 H new ATOM 0 HB1 ALA A 52 -0.217 -17.618 -2.850 1.00 2.25 H new ATOM 0 HB2 ALA A 52 -0.615 -16.850 -1.294 1.00 2.25 H new ATOM 0 HB3 ALA A 52 -0.868 -18.598 -1.514 1.00 2.25 H new ATOM 686 N GLN A 53 -3.710 -18.045 -4.358 1.00 75.10 N ATOM 687 CA GLN A 53 -4.185 -18.940 -5.403 1.00 73.50 C ATOM 688 C GLN A 53 -3.136 -19.110 -6.499 1.00 51.30 C ATOM 689 O GLN A 53 -2.478 -20.146 -6.592 1.00 42.30 O ATOM 690 CB GLN A 53 -5.485 -18.406 -6.001 1.00 74.50 C ATOM 691 CG GLN A 53 -6.656 -18.422 -5.031 1.00 35.30 C ATOM 692 CD GLN A 53 -7.517 -17.178 -5.135 1.00 44.20 C ATOM 693 OE1 GLN A 53 -7.027 -16.095 -5.441 1.00 42.00 O ATOM 694 NE2 GLN A 53 -8.817 -17.338 -4.888 1.00 31.40 N ATOM 0 H GLN A 53 -4.202 -17.153 -4.311 1.00 75.10 H new ATOM 0 HA GLN A 53 -4.371 -19.916 -4.955 1.00 73.50 H new ATOM 0 HB2 GLN A 53 -5.324 -17.384 -6.345 1.00 74.50 H new ATOM 0 HB3 GLN A 53 -5.743 -19.001 -6.878 1.00 74.50 H new ATOM 0 HG2 GLN A 53 -7.270 -19.302 -5.223 1.00 35.30 H new ATOM 0 HG3 GLN A 53 -6.278 -18.514 -4.013 1.00 35.30 H new ATOM 0 HE21 GLN A 53 -9.179 -18.258 -4.637 1.00 31.40 H new ATOM 0 HE22 GLN A 53 -9.450 -16.540 -4.950 1.00 31.40 H new ATOM 703 N GLY A 54 -2.989 -18.074 -7.327 1.00 65.30 N ATOM 704 CA GLY A 54 -2.016 -18.126 -8.403 1.00 1.51 C ATOM 705 C GLY A 54 -0.799 -17.272 -8.130 1.00 3.24 C ATOM 706 O GLY A 54 -0.617 -16.771 -7.016 1.00 74.40 O ATOM 0 H GLY A 54 -3.523 -17.207 -7.270 1.00 65.30 H new ATOM 0 HA2 GLY A 54 -1.703 -19.159 -8.555 1.00 1.51 H new ATOM 0 HA3 GLY A 54 -2.486 -17.796 -9.329 1.00 1.51 H new ATOM 710 N ASP A 55 0.047 -17.095 -9.140 1.00 51.20 N ATOM 711 CA ASP A 55 1.251 -16.295 -9.006 1.00 71.10 C ATOM 712 C ASP A 55 1.028 -14.881 -9.535 1.00 41.10 C ATOM 713 O ASP A 55 1.621 -13.924 -9.039 1.00 60.40 O ATOM 714 CB ASP A 55 2.413 -16.952 -9.749 1.00 13.20 C ATOM 715 CG ASP A 55 2.062 -17.319 -11.173 1.00 14.50 C ATOM 716 OD1 ASP A 55 1.044 -18.015 -11.370 1.00 32.30 O ATOM 717 OD2 ASP A 55 2.799 -16.904 -12.092 1.00 2.35 O ATOM 0 H ASP A 55 -0.085 -17.501 -10.067 1.00 51.20 H new ATOM 0 HA ASP A 55 1.497 -16.232 -7.946 1.00 71.10 H new ATOM 0 HB2 ASP A 55 3.266 -16.274 -9.753 1.00 13.20 H new ATOM 0 HB3 ASP A 55 2.721 -17.849 -9.212 1.00 13.20 H new ATOM 722 N LYS A 56 0.181 -14.763 -10.542 1.00 73.20 N ATOM 723 CA LYS A 56 -0.123 -13.469 -11.142 1.00 70.40 C ATOM 724 C LYS A 56 -0.723 -12.513 -10.107 1.00 3.52 C ATOM 725 O LYS A 56 -0.373 -11.339 -10.050 1.00 33.20 O ATOM 726 CB LYS A 56 -1.079 -13.634 -12.318 1.00 31.40 C ATOM 727 CG LYS A 56 -0.387 -13.988 -13.623 1.00 11.40 C ATOM 728 CD LYS A 56 -1.286 -14.813 -14.526 1.00 13.10 C ATOM 729 CE LYS A 56 -2.544 -14.043 -14.910 1.00 35.10 C ATOM 730 NZ LYS A 56 -3.042 -14.426 -16.262 1.00 3.03 N ATOM 0 H LYS A 56 -0.312 -15.549 -10.965 1.00 73.20 H new ATOM 0 HA LYS A 56 0.811 -13.041 -11.506 1.00 70.40 H new ATOM 0 HB2 LYS A 56 -1.804 -14.412 -12.079 1.00 31.40 H new ATOM 0 HB3 LYS A 56 -1.638 -12.708 -12.453 1.00 31.40 H new ATOM 0 HG2 LYS A 56 -0.092 -13.074 -14.139 1.00 11.40 H new ATOM 0 HG3 LYS A 56 0.527 -14.544 -13.412 1.00 11.40 H new ATOM 0 HD2 LYS A 56 -0.740 -15.094 -15.427 1.00 13.10 H new ATOM 0 HD3 LYS A 56 -1.564 -15.737 -14.020 1.00 13.10 H new ATOM 0 HE2 LYS A 56 -3.323 -14.229 -14.171 1.00 35.10 H new ATOM 0 HE3 LYS A 56 -2.335 -12.973 -14.890 1.00 35.10 H new ATOM 0 HZ1 LYS A 56 -3.898 -13.879 -16.484 1.00 3.03 H new ATOM 0 HZ2 LYS A 56 -2.309 -14.225 -16.972 1.00 3.03 H new ATOM 0 HZ3 LYS A 56 -3.267 -15.441 -16.274 1.00 3.03 H new ATOM 744 N ALA A 57 -1.641 -13.043 -9.300 1.00 40.20 N ATOM 745 CA ALA A 57 -2.295 -12.237 -8.270 1.00 32.30 C ATOM 746 C ALA A 57 -1.282 -11.677 -7.285 1.00 25.20 C ATOM 747 O ALA A 57 -1.338 -10.501 -6.920 1.00 73.30 O ATOM 748 CB ALA A 57 -3.339 -13.067 -7.540 1.00 63.00 C ATOM 0 H ALA A 57 -1.946 -14.016 -9.338 1.00 40.20 H new ATOM 0 HA ALA A 57 -2.788 -11.397 -8.759 1.00 32.30 H new ATOM 0 HB1 ALA A 57 -3.819 -12.457 -6.775 1.00 63.00 H new ATOM 0 HB2 ALA A 57 -4.089 -13.415 -8.250 1.00 63.00 H new ATOM 0 HB3 ALA A 57 -2.858 -13.925 -7.070 1.00 63.00 H new ATOM 754 N LYS A 58 -0.354 -12.524 -6.855 1.00 11.20 N ATOM 755 CA LYS A 58 0.680 -12.122 -5.908 1.00 14.20 C ATOM 756 C LYS A 58 1.601 -11.073 -6.528 1.00 41.40 C ATOM 757 O LYS A 58 2.116 -10.198 -5.834 1.00 60.30 O ATOM 758 CB LYS A 58 1.494 -13.329 -5.454 1.00 72.20 C ATOM 759 CG LYS A 58 0.639 -14.493 -4.986 1.00 20.40 C ATOM 760 CD LYS A 58 1.492 -15.611 -4.403 1.00 54.00 C ATOM 761 CE LYS A 58 1.711 -15.422 -2.911 1.00 62.20 C ATOM 762 NZ LYS A 58 3.051 -15.904 -2.480 1.00 20.00 N ATOM 0 H LYS A 58 -0.296 -13.499 -7.149 1.00 11.20 H new ATOM 0 HA LYS A 58 0.189 -11.685 -5.038 1.00 14.20 H new ATOM 0 HB2 LYS A 58 2.127 -13.661 -6.277 1.00 72.20 H new ATOM 0 HB3 LYS A 58 2.157 -13.026 -4.644 1.00 72.20 H new ATOM 0 HG2 LYS A 58 -0.071 -14.146 -4.235 1.00 20.40 H new ATOM 0 HG3 LYS A 58 0.056 -14.877 -5.823 1.00 20.40 H new ATOM 0 HD2 LYS A 58 1.008 -16.571 -4.582 1.00 54.00 H new ATOM 0 HD3 LYS A 58 2.455 -15.639 -4.913 1.00 54.00 H new ATOM 0 HE2 LYS A 58 1.607 -14.366 -2.660 1.00 62.20 H new ATOM 0 HE3 LYS A 58 0.938 -15.958 -2.360 1.00 62.20 H new ATOM 0 HZ1 LYS A 58 3.160 -15.757 -1.456 1.00 20.00 H new ATOM 0 HZ2 LYS A 58 3.141 -16.917 -2.696 1.00 20.00 H new ATOM 0 HZ3 LYS A 58 3.790 -15.375 -2.986 1.00 20.00 H new ATOM 776 N GLN A 59 1.804 -11.170 -7.838 1.00 2.10 N ATOM 777 CA GLN A 59 2.663 -10.232 -8.551 1.00 0.55 C ATOM 778 C GLN A 59 2.006 -8.862 -8.654 1.00 41.10 C ATOM 779 O GLN A 59 2.665 -7.839 -8.491 1.00 72.30 O ATOM 780 CB GLN A 59 2.983 -10.763 -9.948 1.00 45.10 C ATOM 781 CG GLN A 59 4.371 -10.384 -10.443 1.00 62.50 C ATOM 782 CD GLN A 59 5.479 -10.977 -9.591 1.00 2.34 C ATOM 783 OE1 GLN A 59 5.598 -12.192 -9.469 1.00 44.40 O ATOM 784 NE2 GLN A 59 6.292 -10.110 -8.997 1.00 70.10 N ATOM 0 H GLN A 59 1.385 -11.889 -8.427 1.00 2.10 H new ATOM 0 HA GLN A 59 3.590 -10.128 -7.988 1.00 0.55 H new ATOM 0 HB2 GLN A 59 2.892 -11.849 -9.944 1.00 45.10 H new ATOM 0 HB3 GLN A 59 2.240 -10.384 -10.650 1.00 45.10 H new ATOM 0 HG2 GLN A 59 4.490 -10.722 -11.473 1.00 62.50 H new ATOM 0 HG3 GLN A 59 4.466 -9.298 -10.451 1.00 62.50 H new ATOM 0 HE21 GLN A 59 6.153 -9.108 -9.129 1.00 70.10 H new ATOM 0 HE22 GLN A 59 7.055 -10.446 -8.410 1.00 70.10 H new ATOM 793 N SER A 60 0.708 -8.860 -8.927 1.00 23.20 N ATOM 794 CA SER A 60 -0.039 -7.614 -9.054 1.00 33.30 C ATOM 795 C SER A 60 -0.074 -6.864 -7.726 1.00 73.10 C ATOM 796 O SER A 60 0.301 -5.694 -7.652 1.00 54.40 O ATOM 797 CB SER A 60 -1.466 -7.896 -9.531 1.00 25.10 C ATOM 798 OG SER A 60 -1.495 -8.157 -10.923 1.00 51.00 O ATOM 0 H SER A 60 0.151 -9.704 -9.064 1.00 23.20 H new ATOM 0 HA SER A 60 0.466 -6.990 -9.791 1.00 33.30 H new ATOM 0 HB2 SER A 60 -1.872 -8.750 -8.989 1.00 25.10 H new ATOM 0 HB3 SER A 60 -2.104 -7.042 -9.304 1.00 25.10 H new ATOM 0 HG SER A 60 -2.417 -8.336 -11.203 1.00 51.00 H new ATOM 804 N ILE A 61 -0.527 -7.547 -6.678 1.00 33.40 N ATOM 805 CA ILE A 61 -0.610 -6.944 -5.353 1.00 21.10 C ATOM 806 C ILE A 61 0.759 -6.477 -4.874 1.00 64.30 C ATOM 807 O ILE A 61 0.881 -5.430 -4.239 1.00 2.43 O ATOM 808 CB ILE A 61 -1.192 -7.931 -4.323 1.00 2.22 C ATOM 809 CG1 ILE A 61 -0.386 -9.232 -4.318 1.00 13.40 C ATOM 810 CG2 ILE A 61 -2.657 -8.210 -4.625 1.00 70.30 C ATOM 811 CD1 ILE A 61 0.647 -9.286 -3.218 1.00 72.30 C ATOM 0 H ILE A 61 -0.841 -8.516 -6.721 1.00 33.40 H new ATOM 0 HA ILE A 61 -1.274 -6.084 -5.438 1.00 21.10 H new ATOM 0 HB ILE A 61 -1.125 -7.481 -3.333 1.00 2.22 H new ATOM 0 HG12 ILE A 61 -1.069 -10.075 -4.208 1.00 13.40 H new ATOM 0 HG13 ILE A 61 0.111 -9.348 -5.281 1.00 13.40 H new ATOM 0 HG21 ILE A 61 -3.054 -8.909 -3.889 1.00 70.30 H new ATOM 0 HG22 ILE A 61 -3.221 -7.278 -4.582 1.00 70.30 H new ATOM 0 HG23 ILE A 61 -2.747 -8.643 -5.621 1.00 70.30 H new ATOM 0 HD11 ILE A 61 1.184 -10.233 -3.269 1.00 72.30 H new ATOM 0 HD12 ILE A 61 1.351 -8.463 -3.339 1.00 72.30 H new ATOM 0 HD13 ILE A 61 0.153 -9.201 -2.250 1.00 72.30 H new ATOM 823 N ARG A 62 1.788 -7.260 -5.182 1.00 54.30 N ATOM 824 CA ARG A 62 3.149 -6.926 -4.782 1.00 52.00 C ATOM 825 C ARG A 62 3.649 -5.696 -5.532 1.00 23.30 C ATOM 826 O ARG A 62 4.091 -4.722 -4.923 1.00 53.40 O ATOM 827 CB ARG A 62 4.082 -8.107 -5.039 1.00 43.30 C ATOM 828 CG ARG A 62 4.151 -9.085 -3.879 1.00 62.10 C ATOM 829 CD ARG A 62 5.566 -9.588 -3.659 1.00 62.30 C ATOM 830 NE ARG A 62 5.745 -10.951 -4.161 1.00 41.30 N ATOM 831 CZ ARG A 62 6.929 -11.489 -4.450 1.00 11.30 C ATOM 832 NH1 ARG A 62 8.045 -10.789 -4.286 1.00 50.30 N ATOM 833 NH2 ARG A 62 7.002 -12.736 -4.901 1.00 73.10 N ATOM 0 H ARG A 62 1.704 -8.130 -5.707 1.00 54.30 H new ATOM 0 HA ARG A 62 3.143 -6.702 -3.715 1.00 52.00 H new ATOM 0 HB2 ARG A 62 3.748 -8.636 -5.932 1.00 43.30 H new ATOM 0 HB3 ARG A 62 5.084 -7.731 -5.247 1.00 43.30 H new ATOM 0 HG2 ARG A 62 3.791 -8.601 -2.971 1.00 62.10 H new ATOM 0 HG3 ARG A 62 3.490 -9.929 -4.074 1.00 62.10 H new ATOM 0 HD2 ARG A 62 6.270 -8.922 -4.158 1.00 62.30 H new ATOM 0 HD3 ARG A 62 5.800 -9.559 -2.595 1.00 62.30 H new ATOM 0 HE ARG A 62 4.912 -11.524 -4.298 1.00 41.30 H new ATOM 0 HH11 ARG A 62 8.000 -9.832 -3.936 1.00 50.30 H new ATOM 0 HH12 ARG A 62 8.948 -11.208 -4.510 1.00 50.30 H new ATOM 0 HH21 ARG A 62 6.151 -13.284 -5.027 1.00 73.10 H new ATOM 0 HH22 ARG A 62 7.909 -13.146 -5.122 1.00 73.10 H new ATOM 847 N ALA A 63 3.574 -5.745 -6.858 1.00 11.30 N ATOM 848 CA ALA A 63 4.017 -4.634 -7.689 1.00 25.10 C ATOM 849 C ALA A 63 3.229 -3.368 -7.374 1.00 32.40 C ATOM 850 O ALA A 63 3.739 -2.255 -7.508 1.00 53.20 O ATOM 851 CB ALA A 63 3.884 -4.989 -9.162 1.00 32.10 C ATOM 0 H ALA A 63 3.210 -6.543 -7.379 1.00 11.30 H new ATOM 0 HA ALA A 63 5.067 -4.443 -7.468 1.00 25.10 H new ATOM 0 HB1 ALA A 63 4.219 -4.149 -9.770 1.00 32.10 H new ATOM 0 HB2 ALA A 63 4.496 -5.863 -9.382 1.00 32.10 H new ATOM 0 HB3 ALA A 63 2.841 -5.209 -9.390 1.00 32.10 H new ATOM 857 N LYS A 64 1.981 -3.544 -6.953 1.00 63.10 N ATOM 858 CA LYS A 64 1.121 -2.416 -6.616 1.00 2.10 C ATOM 859 C LYS A 64 1.474 -1.858 -5.242 1.00 65.10 C ATOM 860 O LYS A 64 1.448 -0.646 -5.028 1.00 52.50 O ATOM 861 CB LYS A 64 -0.349 -2.840 -6.646 1.00 73.40 C ATOM 862 CG LYS A 64 -0.936 -2.903 -8.046 1.00 20.00 C ATOM 863 CD LYS A 64 -2.401 -2.498 -8.055 1.00 35.00 C ATOM 864 CE LYS A 64 -2.843 -2.038 -9.434 1.00 5.22 C ATOM 865 NZ LYS A 64 -4.326 -2.037 -9.571 1.00 20.30 N ATOM 0 H LYS A 64 1.543 -4.458 -6.837 1.00 63.10 H new ATOM 0 HA LYS A 64 1.280 -1.634 -7.359 1.00 2.10 H new ATOM 0 HB2 LYS A 64 -0.446 -3.819 -6.176 1.00 73.40 H new ATOM 0 HB3 LYS A 64 -0.932 -2.140 -6.048 1.00 73.40 H new ATOM 0 HG2 LYS A 64 -0.372 -2.246 -8.708 1.00 20.00 H new ATOM 0 HG3 LYS A 64 -0.835 -3.915 -8.439 1.00 20.00 H new ATOM 0 HD2 LYS A 64 -3.015 -3.341 -7.738 1.00 35.00 H new ATOM 0 HD3 LYS A 64 -2.563 -1.697 -7.334 1.00 35.00 H new ATOM 0 HE2 LYS A 64 -2.461 -1.035 -9.622 1.00 5.22 H new ATOM 0 HE3 LYS A 64 -2.409 -2.691 -10.191 1.00 5.22 H new ATOM 0 HZ1 LYS A 64 -4.586 -1.717 -10.526 1.00 20.30 H new ATOM 0 HZ2 LYS A 64 -4.689 -2.999 -9.417 1.00 20.30 H new ATOM 0 HZ3 LYS A 64 -4.739 -1.394 -8.866 1.00 20.30 H new ATOM 879 N CYS A 65 1.804 -2.750 -4.313 1.00 12.30 N ATOM 880 CA CYS A 65 2.163 -2.346 -2.959 1.00 41.30 C ATOM 881 C CYS A 65 3.503 -1.619 -2.949 1.00 2.30 C ATOM 882 O CYS A 65 3.651 -0.576 -2.310 1.00 50.40 O ATOM 883 CB CYS A 65 2.223 -3.566 -2.039 1.00 74.20 C ATOM 884 SG CYS A 65 0.623 -4.052 -1.352 1.00 4.33 S ATOM 0 H CYS A 65 1.830 -3.757 -4.474 1.00 12.30 H new ATOM 0 HA CYS A 65 1.396 -1.663 -2.593 1.00 41.30 H new ATOM 0 HB2 CYS A 65 2.638 -4.407 -2.595 1.00 74.20 H new ATOM 0 HB3 CYS A 65 2.910 -3.356 -1.219 1.00 74.20 H new ATOM 0 HG CYS A 65 -0.331 -3.564 -2.088 1.00 4.33 H new ATOM 890 N THR A 66 4.479 -2.176 -3.659 1.00 61.30 N ATOM 891 CA THR A 66 5.807 -1.580 -3.733 1.00 2.12 C ATOM 892 C THR A 66 5.742 -0.178 -4.330 1.00 61.30 C ATOM 893 O THR A 66 6.389 0.747 -3.842 1.00 62.20 O ATOM 894 CB THR A 66 6.738 -2.462 -4.569 1.00 44.00 C ATOM 895 OG1 THR A 66 8.068 -1.980 -4.514 1.00 35.30 O ATOM 896 CG2 THR A 66 6.340 -2.543 -6.027 1.00 5.23 C ATOM 0 H THR A 66 4.374 -3.040 -4.191 1.00 61.30 H new ATOM 0 HA THR A 66 6.202 -1.505 -2.720 1.00 2.12 H new ATOM 0 HB THR A 66 6.659 -3.458 -4.132 1.00 44.00 H new ATOM 0 HG1 THR A 66 8.648 -2.558 -5.053 1.00 35.30 H new ATOM 0 HG21 THR A 66 7.042 -3.184 -6.561 1.00 5.23 H new ATOM 0 HG22 THR A 66 5.336 -2.959 -6.107 1.00 5.23 H new ATOM 0 HG23 THR A 66 6.355 -1.545 -6.464 1.00 5.23 H new ATOM 904 N GLU A 67 4.955 -0.031 -5.390 1.00 21.30 N ATOM 905 CA GLU A 67 4.802 1.255 -6.057 1.00 64.00 C ATOM 906 C GLU A 67 4.080 2.253 -5.158 1.00 43.30 C ATOM 907 O GLU A 67 4.470 3.417 -5.066 1.00 14.00 O ATOM 908 CB GLU A 67 4.034 1.082 -7.369 1.00 42.10 C ATOM 909 CG GLU A 67 4.370 2.132 -8.414 1.00 5.20 C ATOM 910 CD GLU A 67 5.437 1.668 -9.378 1.00 73.30 C ATOM 911 OE1 GLU A 67 5.208 0.664 -10.087 1.00 54.10 O ATOM 912 OE2 GLU A 67 6.507 2.309 -9.433 1.00 61.20 O ATOM 0 H GLU A 67 4.413 -0.788 -5.806 1.00 21.30 H new ATOM 0 HA GLU A 67 5.796 1.645 -6.274 1.00 64.00 H new ATOM 0 HB2 GLU A 67 4.247 0.094 -7.777 1.00 42.10 H new ATOM 0 HB3 GLU A 67 2.965 1.117 -7.162 1.00 42.10 H new ATOM 0 HG2 GLU A 67 3.468 2.388 -8.971 1.00 5.20 H new ATOM 0 HG3 GLU A 67 4.706 3.042 -7.916 1.00 5.20 H new ATOM 919 N TYR A 68 3.025 1.790 -4.495 1.00 51.40 N ATOM 920 CA TYR A 68 2.250 2.643 -3.602 1.00 3.13 C ATOM 921 C TYR A 68 3.054 2.998 -2.356 1.00 65.20 C ATOM 922 O TYR A 68 3.033 4.139 -1.896 1.00 42.20 O ATOM 923 CB TYR A 68 0.947 1.947 -3.201 1.00 10.20 C ATOM 924 CG TYR A 68 -0.102 1.947 -4.289 1.00 72.00 C ATOM 925 CD1 TYR A 68 -0.360 3.091 -5.033 1.00 13.10 C ATOM 926 CD2 TYR A 68 -0.833 0.800 -4.574 1.00 54.00 C ATOM 927 CE1 TYR A 68 -1.319 3.094 -6.029 1.00 62.30 C ATOM 928 CE2 TYR A 68 -1.792 0.794 -5.569 1.00 60.10 C ATOM 929 CZ TYR A 68 -2.031 1.943 -6.293 1.00 74.20 C ATOM 930 OH TYR A 68 -2.986 1.942 -7.284 1.00 2.12 O ATOM 0 H TYR A 68 2.688 0.830 -4.559 1.00 51.40 H new ATOM 0 HA TYR A 68 2.013 3.564 -4.135 1.00 3.13 H new ATOM 0 HB2 TYR A 68 1.167 0.917 -2.921 1.00 10.20 H new ATOM 0 HB3 TYR A 68 0.541 2.438 -2.317 1.00 10.20 H new ATOM 0 HD1 TYR A 68 0.198 3.993 -4.830 1.00 13.10 H new ATOM 0 HD2 TYR A 68 -0.649 -0.102 -4.009 1.00 54.00 H new ATOM 0 HE1 TYR A 68 -1.509 3.993 -6.597 1.00 62.30 H new ATOM 0 HE2 TYR A 68 -2.351 -0.106 -5.778 1.00 60.10 H new ATOM 0 HH TYR A 68 -3.395 1.053 -7.343 1.00 2.12 H new ATOM 940 N LEU A 69 3.762 2.012 -1.814 1.00 43.50 N ATOM 941 CA LEU A 69 4.573 2.220 -0.621 1.00 4.21 C ATOM 942 C LEU A 69 5.660 3.259 -0.876 1.00 11.00 C ATOM 943 O LEU A 69 6.057 3.992 0.030 1.00 35.50 O ATOM 944 CB LEU A 69 5.207 0.901 -0.173 1.00 52.30 C ATOM 945 CG LEU A 69 4.271 -0.043 0.584 1.00 53.20 C ATOM 946 CD1 LEU A 69 4.629 -1.493 0.298 1.00 23.10 C ATOM 947 CD2 LEU A 69 4.329 0.238 2.078 1.00 23.30 C ATOM 0 H LEU A 69 3.790 1.061 -2.183 1.00 43.50 H new ATOM 0 HA LEU A 69 3.921 2.589 0.171 1.00 4.21 H new ATOM 0 HB2 LEU A 69 5.589 0.382 -1.052 1.00 52.30 H new ATOM 0 HB3 LEU A 69 6.064 1.125 0.462 1.00 52.30 H new ATOM 0 HG LEU A 69 3.252 0.132 0.240 1.00 53.20 H new ATOM 0 HD11 LEU A 69 3.952 -2.150 0.845 1.00 23.10 H new ATOM 0 HD12 LEU A 69 4.537 -1.686 -0.771 1.00 23.10 H new ATOM 0 HD13 LEU A 69 5.654 -1.684 0.614 1.00 23.10 H new ATOM 0 HD21 LEU A 69 3.658 -0.442 2.602 1.00 23.30 H new ATOM 0 HD22 LEU A 69 5.348 0.090 2.437 1.00 23.30 H new ATOM 0 HD23 LEU A 69 4.023 1.267 2.267 1.00 23.30 H new ATOM 959 N ASP A 70 6.137 3.317 -2.115 1.00 42.00 N ATOM 960 CA ASP A 70 7.178 4.267 -2.489 1.00 21.20 C ATOM 961 C ASP A 70 6.637 5.693 -2.493 1.00 63.20 C ATOM 962 O ASP A 70 7.243 6.600 -1.920 1.00 73.20 O ATOM 963 CB ASP A 70 7.744 3.920 -3.867 1.00 33.10 C ATOM 964 CG ASP A 70 8.918 2.965 -3.787 1.00 4.13 C ATOM 965 OD1 ASP A 70 8.931 2.116 -2.870 1.00 24.10 O ATOM 966 OD2 ASP A 70 9.825 3.066 -4.640 1.00 45.10 O ATOM 0 H ASP A 70 5.819 2.718 -2.877 1.00 42.00 H new ATOM 0 HA ASP A 70 7.976 4.202 -1.750 1.00 21.20 H new ATOM 0 HB2 ASP A 70 6.958 3.475 -4.478 1.00 33.10 H new ATOM 0 HB3 ASP A 70 8.058 4.835 -4.369 1.00 33.10 H new ATOM 971 N ARG A 71 5.493 5.885 -3.141 1.00 41.10 N ATOM 972 CA ARG A 71 4.870 7.200 -3.219 1.00 71.40 C ATOM 973 C ARG A 71 4.518 7.719 -1.829 1.00 24.20 C ATOM 974 O ARG A 71 4.704 8.899 -1.530 1.00 33.50 O ATOM 975 CB ARG A 71 3.611 7.141 -4.087 1.00 3.02 C ATOM 976 CG ARG A 71 3.283 8.457 -4.773 1.00 10.30 C ATOM 977 CD ARG A 71 2.318 8.256 -5.930 1.00 64.40 C ATOM 978 NE ARG A 71 2.400 9.341 -6.906 1.00 73.10 N ATOM 979 CZ ARG A 71 3.394 9.480 -7.767 1.00 10.00 C ATOM 980 NH1 ARG A 71 4.398 8.610 -7.789 1.00 52.30 N ATOM 981 NH2 ARG A 71 3.395 10.497 -8.626 1.00 61.30 N ATOM 0 H ARG A 71 4.979 5.146 -3.620 1.00 41.10 H new ATOM 0 HA ARG A 71 5.585 7.886 -3.673 1.00 71.40 H new ATOM 0 HB2 ARG A 71 3.738 6.368 -4.845 1.00 3.02 H new ATOM 0 HB3 ARG A 71 2.766 6.844 -3.467 1.00 3.02 H new ATOM 0 HG2 ARG A 71 2.847 9.147 -4.050 1.00 10.30 H new ATOM 0 HG3 ARG A 71 4.201 8.917 -5.139 1.00 10.30 H new ATOM 0 HD2 ARG A 71 2.535 7.308 -6.423 1.00 64.40 H new ATOM 0 HD3 ARG A 71 1.300 8.190 -5.546 1.00 64.40 H new ATOM 0 HE ARG A 71 1.648 10.030 -6.924 1.00 73.10 H new ATOM 0 HH11 ARG A 71 4.407 7.825 -7.138 1.00 52.30 H new ATOM 0 HH12 ARG A 71 5.160 8.727 -8.457 1.00 52.30 H new ATOM 0 HH21 ARG A 71 2.629 11.170 -8.620 1.00 61.30 H new ATOM 0 HH22 ARG A 71 4.162 10.603 -9.290 1.00 61.30 H new ATOM 995 N ALA A 72 4.009 6.830 -0.982 1.00 72.10 N ATOM 996 CA ALA A 72 3.631 7.199 0.378 1.00 55.00 C ATOM 997 C ALA A 72 4.829 7.738 1.153 1.00 40.50 C ATOM 998 O ALA A 72 4.708 8.699 1.912 1.00 54.40 O ATOM 999 CB ALA A 72 3.029 6.002 1.099 1.00 14.10 C ATOM 0 H ALA A 72 3.849 5.850 -1.213 1.00 72.10 H new ATOM 0 HA ALA A 72 2.883 7.990 0.321 1.00 55.00 H new ATOM 0 HB1 ALA A 72 2.751 6.290 2.113 1.00 14.10 H new ATOM 0 HB2 ALA A 72 2.143 5.662 0.563 1.00 14.10 H new ATOM 0 HB3 ALA A 72 3.761 5.195 1.139 1.00 14.10 H new ATOM 1005 N GLU A 73 5.985 7.113 0.955 1.00 31.10 N ATOM 1006 CA GLU A 73 7.206 7.531 1.636 1.00 2.51 C ATOM 1007 C GLU A 73 7.596 8.948 1.231 1.00 72.00 C ATOM 1008 O GLU A 73 8.085 9.725 2.050 1.00 71.40 O ATOM 1009 CB GLU A 73 8.348 6.565 1.319 1.00 43.10 C ATOM 1010 CG GLU A 73 9.444 6.550 2.372 1.00 74.40 C ATOM 1011 CD GLU A 73 10.684 5.809 1.913 1.00 72.40 C ATOM 1012 OE1 GLU A 73 11.224 6.161 0.843 1.00 62.10 O ATOM 1013 OE2 GLU A 73 11.116 4.877 2.624 1.00 51.10 O ATOM 0 H GLU A 73 6.102 6.316 0.329 1.00 31.10 H new ATOM 0 HA GLU A 73 7.016 7.518 2.709 1.00 2.51 H new ATOM 0 HB2 GLU A 73 7.943 5.559 1.215 1.00 43.10 H new ATOM 0 HB3 GLU A 73 8.784 6.835 0.357 1.00 43.10 H new ATOM 0 HG2 GLU A 73 9.712 7.575 2.627 1.00 74.40 H new ATOM 0 HG3 GLU A 73 9.063 6.085 3.281 1.00 74.40 H new ATOM 1020 N LYS A 74 7.376 9.277 -0.037 1.00 33.00 N ATOM 1021 CA LYS A 74 7.704 10.603 -0.551 1.00 30.20 C ATOM 1022 C LYS A 74 6.797 11.664 0.063 1.00 70.20 C ATOM 1023 O LYS A 74 7.215 12.801 0.282 1.00 24.30 O ATOM 1024 CB LYS A 74 7.578 10.627 -2.075 1.00 54.40 C ATOM 1025 CG LYS A 74 8.587 11.537 -2.755 1.00 74.50 C ATOM 1026 CD LYS A 74 8.773 11.170 -4.218 1.00 64.10 C ATOM 1027 CE LYS A 74 9.687 12.155 -4.927 1.00 5.24 C ATOM 1028 NZ LYS A 74 11.118 11.770 -4.796 1.00 72.30 N ATOM 0 H LYS A 74 6.972 8.645 -0.728 1.00 33.00 H new ATOM 0 HA LYS A 74 8.734 10.828 -0.275 1.00 30.20 H new ATOM 0 HB2 LYS A 74 7.700 9.614 -2.457 1.00 54.40 H new ATOM 0 HB3 LYS A 74 6.572 10.950 -2.343 1.00 54.40 H new ATOM 0 HG2 LYS A 74 8.254 12.572 -2.678 1.00 74.50 H new ATOM 0 HG3 LYS A 74 9.544 11.471 -2.238 1.00 74.50 H new ATOM 0 HD2 LYS A 74 9.191 10.166 -4.292 1.00 64.10 H new ATOM 0 HD3 LYS A 74 7.803 11.149 -4.715 1.00 64.10 H new ATOM 0 HE2 LYS A 74 9.419 12.206 -5.982 1.00 5.24 H new ATOM 0 HE3 LYS A 74 9.539 13.152 -4.512 1.00 5.24 H new ATOM 0 HZ1 LYS A 74 11.711 12.465 -5.292 1.00 72.30 H new ATOM 0 HZ2 LYS A 74 11.380 11.746 -3.790 1.00 72.30 H new ATOM 0 HZ3 LYS A 74 11.264 10.829 -5.214 1.00 72.30 H new ATOM 1042 N LEU A 75 5.552 11.286 0.337 1.00 42.10 N ATOM 1043 CA LEU A 75 4.586 12.205 0.926 1.00 20.20 C ATOM 1044 C LEU A 75 4.932 12.498 2.383 1.00 45.20 C ATOM 1045 O LEU A 75 4.856 13.642 2.831 1.00 41.10 O ATOM 1046 CB LEU A 75 3.174 11.623 0.832 1.00 53.10 C ATOM 1047 CG LEU A 75 2.415 11.972 -0.449 1.00 1.01 C ATOM 1048 CD1 LEU A 75 3.229 11.587 -1.675 1.00 25.50 C ATOM 1049 CD2 LEU A 75 1.059 11.282 -0.469 1.00 35.40 C ATOM 0 H LEU A 75 5.189 10.349 0.160 1.00 42.10 H new ATOM 0 HA LEU A 75 4.624 13.140 0.367 1.00 20.20 H new ATOM 0 HB2 LEU A 75 3.238 10.538 0.914 1.00 53.10 H new ATOM 0 HB3 LEU A 75 2.595 11.974 1.686 1.00 53.10 H new ATOM 0 HG LEU A 75 2.253 13.050 -0.470 1.00 1.01 H new ATOM 0 HD11 LEU A 75 2.672 11.843 -2.576 1.00 25.50 H new ATOM 0 HD12 LEU A 75 4.176 12.127 -1.667 1.00 25.50 H new ATOM 0 HD13 LEU A 75 3.423 10.514 -1.661 1.00 25.50 H new ATOM 0 HD21 LEU A 75 0.532 11.541 -1.387 1.00 35.40 H new ATOM 0 HD22 LEU A 75 1.200 10.202 -0.424 1.00 35.40 H new ATOM 0 HD23 LEU A 75 0.472 11.608 0.390 1.00 35.40 H new ATOM 1061 N LYS A 76 5.313 11.458 3.116 1.00 11.10 N ATOM 1062 CA LYS A 76 5.672 11.604 4.523 1.00 61.10 C ATOM 1063 C LYS A 76 6.845 12.563 4.688 1.00 24.50 C ATOM 1064 O LYS A 76 6.906 13.326 5.651 1.00 33.20 O ATOM 1065 CB LYS A 76 6.022 10.243 5.125 1.00 74.40 C ATOM 1066 CG LYS A 76 5.580 10.085 6.571 1.00 62.30 C ATOM 1067 CD LYS A 76 6.506 9.156 7.339 1.00 53.20 C ATOM 1068 CE LYS A 76 7.743 9.888 7.836 1.00 44.20 C ATOM 1069 NZ LYS A 76 7.597 10.329 9.250 1.00 32.10 N ATOM 0 H LYS A 76 5.381 10.505 2.760 1.00 11.10 H new ATOM 0 HA LYS A 76 4.812 12.016 5.051 1.00 61.10 H new ATOM 0 HB2 LYS A 76 5.559 9.460 4.525 1.00 74.40 H new ATOM 0 HB3 LYS A 76 7.100 10.095 5.065 1.00 74.40 H new ATOM 0 HG2 LYS A 76 5.560 11.061 7.055 1.00 62.30 H new ATOM 0 HG3 LYS A 76 4.563 9.693 6.601 1.00 62.30 H new ATOM 0 HD2 LYS A 76 5.971 8.726 8.186 1.00 53.20 H new ATOM 0 HD3 LYS A 76 6.806 8.327 6.698 1.00 53.20 H new ATOM 0 HE2 LYS A 76 8.611 9.235 7.747 1.00 44.20 H new ATOM 0 HE3 LYS A 76 7.930 10.755 7.203 1.00 44.20 H new ATOM 0 HZ1 LYS A 76 8.461 10.824 9.550 1.00 32.10 H new ATOM 0 HZ2 LYS A 76 6.784 10.972 9.331 1.00 32.10 H new ATOM 0 HZ3 LYS A 76 7.444 9.499 9.858 1.00 32.10 H new ATOM 1083 N GLU A 77 7.776 12.521 3.739 1.00 52.00 N ATOM 1084 CA GLU A 77 8.947 13.388 3.778 1.00 2.30 C ATOM 1085 C GLU A 77 8.574 14.814 3.389 1.00 55.20 C ATOM 1086 O GLU A 77 8.832 15.761 4.132 1.00 51.20 O ATOM 1087 CB GLU A 77 10.033 12.858 2.840 1.00 64.50 C ATOM 1088 CG GLU A 77 11.444 13.066 3.364 1.00 43.40 C ATOM 1089 CD GLU A 77 12.484 12.318 2.552 1.00 71.20 C ATOM 1090 OE1 GLU A 77 12.731 12.716 1.394 1.00 73.30 O ATOM 1091 OE2 GLU A 77 13.051 11.337 3.075 1.00 24.40 O ATOM 0 H GLU A 77 7.741 11.895 2.934 1.00 52.00 H new ATOM 0 HA GLU A 77 9.332 13.395 4.798 1.00 2.30 H new ATOM 0 HB2 GLU A 77 9.870 11.793 2.673 1.00 64.50 H new ATOM 0 HB3 GLU A 77 9.938 13.350 1.872 1.00 64.50 H new ATOM 0 HG2 GLU A 77 11.678 14.131 3.355 1.00 43.40 H new ATOM 0 HG3 GLU A 77 11.494 12.738 4.402 1.00 43.40 H new ATOM 1098 N TYR A 78 7.961 14.956 2.218 1.00 62.20 N ATOM 1099 CA TYR A 78 7.545 16.264 1.726 1.00 43.20 C ATOM 1100 C TYR A 78 6.553 16.911 2.690 1.00 5.44 C ATOM 1101 O TYR A 78 6.513 18.133 2.829 1.00 33.00 O ATOM 1102 CB TYR A 78 6.933 16.122 0.324 1.00 3.10 C ATOM 1103 CG TYR A 78 5.828 17.112 0.019 1.00 64.10 C ATOM 1104 CD1 TYR A 78 4.534 16.896 0.476 1.00 3.12 C ATOM 1105 CD2 TYR A 78 6.080 18.259 -0.723 1.00 50.40 C ATOM 1106 CE1 TYR A 78 3.521 17.795 0.200 1.00 13.50 C ATOM 1107 CE2 TYR A 78 5.073 19.163 -1.001 1.00 11.30 C ATOM 1108 CZ TYR A 78 3.796 18.927 -0.538 1.00 42.00 C ATOM 1109 OH TYR A 78 2.791 19.825 -0.814 1.00 0.33 O ATOM 0 H TYR A 78 7.741 14.181 1.592 1.00 62.20 H new ATOM 0 HA TYR A 78 8.419 16.912 1.662 1.00 43.20 H new ATOM 0 HB2 TYR A 78 7.723 16.239 -0.417 1.00 3.10 H new ATOM 0 HB3 TYR A 78 6.539 15.112 0.214 1.00 3.10 H new ATOM 0 HD1 TYR A 78 4.316 16.012 1.056 1.00 3.12 H new ATOM 0 HD2 TYR A 78 7.079 18.447 -1.088 1.00 50.40 H new ATOM 0 HE1 TYR A 78 2.520 17.612 0.560 1.00 13.50 H new ATOM 0 HE2 TYR A 78 5.285 20.051 -1.578 1.00 11.30 H new ATOM 0 HH TYR A 78 3.152 20.567 -1.342 1.00 0.33 H new ATOM 1119 N LEU A 79 5.753 16.081 3.353 1.00 14.40 N ATOM 1120 CA LEU A 79 4.762 16.571 4.304 1.00 64.10 C ATOM 1121 C LEU A 79 5.428 17.031 5.596 1.00 22.30 C ATOM 1122 O LEU A 79 4.952 17.954 6.257 1.00 70.30 O ATOM 1123 CB LEU A 79 3.732 15.481 4.606 1.00 31.40 C ATOM 1124 CG LEU A 79 2.706 15.234 3.499 1.00 1.32 C ATOM 1125 CD1 LEU A 79 1.967 13.927 3.739 1.00 32.40 C ATOM 1126 CD2 LEU A 79 1.727 16.395 3.412 1.00 34.00 C ATOM 0 H LEU A 79 5.772 15.067 3.249 1.00 14.40 H new ATOM 0 HA LEU A 79 4.255 17.425 3.855 1.00 64.10 H new ATOM 0 HB2 LEU A 79 4.260 14.549 4.805 1.00 31.40 H new ATOM 0 HB3 LEU A 79 3.201 15.748 5.520 1.00 31.40 H new ATOM 0 HG LEU A 79 3.235 15.159 2.549 1.00 1.32 H new ATOM 0 HD11 LEU A 79 1.241 13.768 2.942 1.00 32.40 H new ATOM 0 HD12 LEU A 79 2.680 13.103 3.751 1.00 32.40 H new ATOM 0 HD13 LEU A 79 1.449 13.972 4.697 1.00 32.40 H new ATOM 0 HD21 LEU A 79 1.004 16.203 2.619 1.00 34.00 H new ATOM 0 HD22 LEU A 79 1.204 16.502 4.362 1.00 34.00 H new ATOM 0 HD23 LEU A 79 2.271 17.314 3.192 1.00 34.00 H new ATOM 1138 N LYS A 80 6.532 16.381 5.951 1.00 14.20 N ATOM 1139 CA LYS A 80 7.263 16.722 7.165 1.00 55.00 C ATOM 1140 C LYS A 80 8.179 17.920 6.930 1.00 41.30 C ATOM 1141 O LYS A 80 8.236 18.840 7.746 1.00 63.50 O ATOM 1142 CB LYS A 80 8.085 15.525 7.644 1.00 64.00 C ATOM 1143 CG LYS A 80 7.280 14.520 8.453 1.00 22.40 C ATOM 1144 CD LYS A 80 7.432 14.758 9.947 1.00 42.30 C ATOM 1145 CE LYS A 80 8.535 13.895 10.539 1.00 14.10 C ATOM 1146 NZ LYS A 80 9.294 14.614 11.599 1.00 42.40 N ATOM 0 H LYS A 80 6.940 15.615 5.415 1.00 14.20 H new ATOM 0 HA LYS A 80 6.537 16.987 7.934 1.00 55.00 H new ATOM 0 HB2 LYS A 80 8.516 15.021 6.779 1.00 64.00 H new ATOM 0 HB3 LYS A 80 8.916 15.885 8.250 1.00 64.00 H new ATOM 0 HG2 LYS A 80 6.228 14.589 8.178 1.00 22.40 H new ATOM 0 HG3 LYS A 80 7.607 13.509 8.209 1.00 22.40 H new ATOM 0 HD2 LYS A 80 7.654 15.810 10.128 1.00 42.30 H new ATOM 0 HD3 LYS A 80 6.489 14.540 10.449 1.00 42.30 H new ATOM 0 HE2 LYS A 80 8.101 12.987 10.956 1.00 14.10 H new ATOM 0 HE3 LYS A 80 9.219 13.587 9.748 1.00 14.10 H new ATOM 0 HZ1 LYS A 80 10.037 13.992 11.977 1.00 42.40 H new ATOM 0 HZ2 LYS A 80 9.730 15.468 11.195 1.00 42.40 H new ATOM 0 HZ3 LYS A 80 8.646 14.886 12.366 1.00 42.40 H new ATOM 1160 N ASN A 81 8.893 17.902 5.809 1.00 24.10 N ATOM 1161 CA ASN A 81 9.805 18.986 5.466 1.00 4.05 C ATOM 1162 C ASN A 81 9.037 20.209 4.978 1.00 75.10 C ATOM 1163 O ASN A 81 9.038 21.255 5.629 1.00 72.30 O ATOM 1164 CB ASN A 81 10.793 18.528 4.392 1.00 3.21 C ATOM 1165 CG ASN A 81 12.062 19.358 4.382 1.00 60.20 C ATOM 1166 OD1 ASN A 81 12.868 19.294 5.310 1.00 14.40 O ATOM 1167 ND2 ASN A 81 12.246 20.146 3.329 1.00 51.30 N ATOM 0 H ASN A 81 8.857 17.148 5.123 1.00 24.10 H new ATOM 0 HA ASN A 81 10.357 19.261 6.365 1.00 4.05 H new ATOM 0 HB2 ASN A 81 11.048 17.482 4.559 1.00 3.21 H new ATOM 0 HB3 ASN A 81 10.316 18.587 3.414 1.00 3.21 H new ATOM 0 HD21 ASN A 81 13.081 20.729 3.268 1.00 51.30 H new ATOM 0 HD22 ASN A 81 11.552 20.169 2.582 1.00 51.30 H new ATOM 1175 N ASP B 116 8.819 -10.324 -1.619 1.00 4.33 N ATOM 1176 CA ASP B 116 7.759 -10.385 -0.618 1.00 34.20 C ATOM 1177 C ASP B 116 8.231 -9.802 0.710 1.00 31.20 C ATOM 1178 O ASP B 116 7.457 -9.173 1.433 1.00 53.50 O ATOM 1179 CB ASP B 116 7.296 -11.825 -0.420 1.00 21.20 C ATOM 1180 CG ASP B 116 8.415 -12.732 0.077 1.00 20.10 C ATOM 1181 OD1 ASP B 116 9.290 -13.087 -0.735 1.00 32.50 O ATOM 1182 OD2 ASP B 116 8.411 -13.074 1.278 1.00 24.10 O ATOM 0 HA ASP B 116 6.920 -9.789 -0.978 1.00 34.20 H new ATOM 0 HB2 ASP B 116 6.473 -11.844 0.294 1.00 21.20 H new ATOM 0 HB3 ASP B 116 6.910 -12.212 -1.363 1.00 21.20 H new ATOM 1187 N GLU B 117 9.506 -10.016 1.024 1.00 40.30 N ATOM 1188 CA GLU B 117 10.079 -9.506 2.265 1.00 64.10 C ATOM 1189 C GLU B 117 10.296 -7.998 2.189 1.00 4.13 C ATOM 1190 O GLU B 117 10.223 -7.302 3.199 1.00 22.30 O ATOM 1191 CB GLU B 117 11.404 -10.211 2.561 1.00 14.30 C ATOM 1192 CG GLU B 117 11.238 -11.584 3.203 1.00 41.30 C ATOM 1193 CD GLU B 117 12.309 -11.880 4.234 1.00 64.20 C ATOM 1194 OE1 GLU B 117 12.317 -11.210 5.289 1.00 42.30 O ATOM 1195 OE2 GLU B 117 13.136 -12.777 3.988 1.00 75.00 O ATOM 0 H GLU B 117 10.159 -10.537 0.439 1.00 40.30 H new ATOM 0 HA GLU B 117 9.376 -9.710 3.073 1.00 64.10 H new ATOM 0 HB2 GLU B 117 11.963 -10.320 1.632 1.00 14.30 H new ATOM 0 HB3 GLU B 117 12.001 -9.581 3.220 1.00 14.30 H new ATOM 0 HG2 GLU B 117 10.258 -11.644 3.676 1.00 41.30 H new ATOM 0 HG3 GLU B 117 11.265 -12.349 2.427 1.00 41.30 H new ATOM 1202 N GLU B 118 10.570 -7.508 0.985 1.00 44.20 N ATOM 1203 CA GLU B 118 10.800 -6.084 0.778 1.00 14.20 C ATOM 1204 C GLU B 118 9.510 -5.287 0.976 1.00 65.20 C ATOM 1205 O GLU B 118 9.483 -4.314 1.723 1.00 73.40 O ATOM 1206 CB GLU B 118 11.356 -5.836 -0.625 1.00 40.10 C ATOM 1207 CG GLU B 118 12.380 -4.714 -0.683 1.00 42.20 C ATOM 1208 CD GLU B 118 11.857 -3.413 -0.100 1.00 13.30 C ATOM 1209 OE1 GLU B 118 10.909 -2.848 -0.675 1.00 12.50 O ATOM 1210 OE2 GLU B 118 12.402 -2.971 0.933 1.00 34.30 O ATOM 0 H GLU B 118 10.638 -8.075 0.140 1.00 44.20 H new ATOM 0 HA GLU B 118 11.529 -5.748 1.516 1.00 14.20 H new ATOM 0 HB2 GLU B 118 11.814 -6.754 -0.993 1.00 40.10 H new ATOM 0 HB3 GLU B 118 10.531 -5.599 -1.297 1.00 40.10 H new ATOM 0 HG2 GLU B 118 13.276 -5.017 -0.140 1.00 42.20 H new ATOM 0 HG3 GLU B 118 12.675 -4.550 -1.719 1.00 42.20 H new ATOM 1217 N ILE B 119 8.449 -5.721 0.304 1.00 74.50 N ATOM 1218 CA ILE B 119 7.159 -5.052 0.408 1.00 45.40 C ATOM 1219 C ILE B 119 6.641 -5.082 1.842 1.00 11.30 C ATOM 1220 O ILE B 119 6.050 -4.114 2.320 1.00 12.20 O ATOM 1221 CB ILE B 119 6.111 -5.699 -0.522 1.00 64.40 C ATOM 1222 CG1 ILE B 119 6.636 -5.751 -1.958 1.00 25.40 C ATOM 1223 CG2 ILE B 119 4.797 -4.933 -0.459 1.00 2.31 C ATOM 1224 CD1 ILE B 119 5.662 -6.375 -2.935 1.00 4.42 C ATOM 0 H ILE B 119 8.457 -6.531 -0.316 1.00 74.50 H new ATOM 0 HA ILE B 119 7.313 -4.017 0.101 1.00 45.40 H new ATOM 0 HB ILE B 119 5.928 -6.719 -0.184 1.00 64.40 H new ATOM 0 HG12 ILE B 119 6.871 -4.739 -2.288 1.00 25.40 H new ATOM 0 HG13 ILE B 119 7.568 -6.316 -1.975 1.00 25.40 H new ATOM 0 HG21 ILE B 119 4.070 -5.403 -1.121 1.00 2.31 H new ATOM 0 HG22 ILE B 119 4.418 -4.944 0.563 1.00 2.31 H new ATOM 0 HG23 ILE B 119 4.961 -3.902 -0.774 1.00 2.31 H new ATOM 0 HD11 ILE B 119 6.100 -6.379 -3.933 1.00 4.42 H new ATOM 0 HD12 ILE B 119 5.446 -7.399 -2.630 1.00 4.42 H new ATOM 0 HD13 ILE B 119 4.738 -5.797 -2.947 1.00 4.42 H new ATOM 1236 N GLU B 120 6.868 -6.194 2.525 1.00 64.20 N ATOM 1237 CA GLU B 120 6.427 -6.351 3.906 1.00 44.00 C ATOM 1238 C GLU B 120 7.179 -5.398 4.828 1.00 64.20 C ATOM 1239 O GLU B 120 6.651 -4.967 5.853 1.00 25.40 O ATOM 1240 CB GLU B 120 6.636 -7.795 4.371 1.00 34.30 C ATOM 1241 CG GLU B 120 5.688 -8.213 5.482 1.00 60.00 C ATOM 1242 CD GLU B 120 6.345 -8.185 6.849 1.00 22.30 C ATOM 1243 OE1 GLU B 120 6.659 -7.078 7.331 1.00 51.40 O ATOM 1244 OE2 GLU B 120 6.546 -9.273 7.437 1.00 65.40 O ATOM 0 H GLU B 120 7.357 -7.005 2.145 1.00 64.20 H new ATOM 0 HA GLU B 120 5.365 -6.112 3.950 1.00 44.00 H new ATOM 0 HB2 GLU B 120 6.506 -8.465 3.521 1.00 34.30 H new ATOM 0 HB3 GLU B 120 7.663 -7.913 4.716 1.00 34.30 H new ATOM 0 HG2 GLU B 120 4.823 -7.550 5.485 1.00 60.00 H new ATOM 0 HG3 GLU B 120 5.319 -9.219 5.281 1.00 60.00 H new ATOM 1251 N ARG B 121 8.413 -5.071 4.458 1.00 21.40 N ATOM 1252 CA ARG B 121 9.235 -4.166 5.252 1.00 24.30 C ATOM 1253 C ARG B 121 8.724 -2.733 5.150 1.00 21.00 C ATOM 1254 O ARG B 121 8.812 -1.962 6.106 1.00 42.20 O ATOM 1255 CB ARG B 121 10.691 -4.230 4.794 1.00 4.34 C ATOM 1256 CG ARG B 121 11.469 -5.374 5.416 1.00 43.50 C ATOM 1257 CD ARG B 121 11.874 -5.069 6.848 1.00 4.43 C ATOM 1258 NE ARG B 121 12.924 -5.966 7.329 1.00 35.10 N ATOM 1259 CZ ARG B 121 12.699 -7.204 7.749 1.00 41.40 C ATOM 1260 NH1 ARG B 121 11.468 -7.703 7.747 1.00 52.10 N ATOM 1261 NH2 ARG B 121 13.710 -7.954 8.171 1.00 30.20 N ATOM 0 H ARG B 121 8.866 -5.420 3.613 1.00 21.40 H new ATOM 0 HA ARG B 121 9.173 -4.483 6.293 1.00 24.30 H new ATOM 0 HB2 ARG B 121 10.719 -4.329 3.709 1.00 4.34 H new ATOM 0 HB3 ARG B 121 11.183 -3.289 5.041 1.00 4.34 H new ATOM 0 HG2 ARG B 121 10.863 -6.280 5.395 1.00 43.50 H new ATOM 0 HG3 ARG B 121 12.360 -5.573 4.821 1.00 43.50 H new ATOM 0 HD2 ARG B 121 12.221 -4.038 6.914 1.00 4.43 H new ATOM 0 HD3 ARG B 121 11.002 -5.153 7.496 1.00 4.43 H new ATOM 0 HE ARG B 121 13.884 -5.620 7.342 1.00 35.10 H new ATOM 0 HH11 ARG B 121 10.687 -7.133 7.421 1.00 52.10 H new ATOM 0 HH12 ARG B 121 11.303 -8.656 8.072 1.00 52.10 H new ATOM 0 HH21 ARG B 121 14.658 -7.578 8.172 1.00 30.20 H new ATOM 0 HH22 ARG B 121 13.538 -8.906 8.494 1.00 30.20 H new ATOM 1275 N GLN B 122 8.192 -2.379 3.984 1.00 4.23 N ATOM 1276 CA GLN B 122 7.667 -1.036 3.759 1.00 73.10 C ATOM 1277 C GLN B 122 6.452 -0.773 4.642 1.00 31.40 C ATOM 1278 O GLN B 122 6.411 0.209 5.383 1.00 3.44 O ATOM 1279 CB GLN B 122 7.292 -0.847 2.287 1.00 51.10 C ATOM 1280 CG GLN B 122 8.294 -1.449 1.313 1.00 11.10 C ATOM 1281 CD GLN B 122 9.727 -1.070 1.636 1.00 61.50 C ATOM 1282 OE1 GLN B 122 10.189 0.015 1.283 1.00 53.30 O ATOM 1283 NE2 GLN B 122 10.438 -1.966 2.310 1.00 1.35 N ATOM 0 H GLN B 122 8.113 -3.003 3.181 1.00 4.23 H new ATOM 0 HA GLN B 122 8.448 -0.322 4.020 1.00 73.10 H new ATOM 0 HB2 GLN B 122 6.314 -1.296 2.111 1.00 51.10 H new ATOM 0 HB3 GLN B 122 7.195 0.219 2.081 1.00 51.10 H new ATOM 0 HG2 GLN B 122 8.198 -2.535 1.325 1.00 11.10 H new ATOM 0 HG3 GLN B 122 8.055 -1.119 0.302 1.00 11.10 H new ATOM 0 HE21 GLN B 122 10.014 -2.853 2.582 1.00 1.35 H new ATOM 0 HE22 GLN B 122 11.408 -1.767 2.555 1.00 1.35 H new ATOM 1292 N LEU B 123 5.463 -1.657 4.557 1.00 25.50 N ATOM 1293 CA LEU B 123 4.246 -1.522 5.348 1.00 11.30 C ATOM 1294 C LEU B 123 4.551 -1.622 6.838 1.00 13.10 C ATOM 1295 O LEU B 123 3.877 -1.004 7.663 1.00 24.30 O ATOM 1296 CB LEU B 123 3.232 -2.596 4.949 1.00 20.40 C ATOM 1297 CG LEU B 123 3.768 -4.029 4.968 1.00 35.10 C ATOM 1298 CD1 LEU B 123 3.370 -4.732 6.257 1.00 21.50 C ATOM 1299 CD2 LEU B 123 3.264 -4.804 3.758 1.00 64.20 C ATOM 0 H LEU B 123 5.481 -2.475 3.948 1.00 25.50 H new ATOM 0 HA LEU B 123 3.820 -0.538 5.149 1.00 11.30 H new ATOM 0 HB2 LEU B 123 2.377 -2.535 5.622 1.00 20.40 H new ATOM 0 HB3 LEU B 123 2.866 -2.374 3.947 1.00 20.40 H new ATOM 0 HG LEU B 123 4.856 -3.989 4.921 1.00 35.10 H new ATOM 0 HD11 LEU B 123 3.760 -5.750 6.252 1.00 21.50 H new ATOM 0 HD12 LEU B 123 3.781 -4.190 7.109 1.00 21.50 H new ATOM 0 HD13 LEU B 123 2.283 -4.761 6.335 1.00 21.50 H new ATOM 0 HD21 LEU B 123 3.655 -5.821 3.788 1.00 64.20 H new ATOM 0 HD22 LEU B 123 2.175 -4.834 3.773 1.00 64.20 H new ATOM 0 HD23 LEU B 123 3.601 -4.313 2.845 1.00 64.20 H new ATOM 1311 N LYS B 124 5.570 -2.405 7.178 1.00 54.30 N ATOM 1312 CA LYS B 124 5.965 -2.586 8.570 1.00 34.10 C ATOM 1313 C LYS B 124 6.700 -1.355 9.092 1.00 63.30 C ATOM 1314 O LYS B 124 6.563 -0.987 10.259 1.00 43.10 O ATOM 1315 CB LYS B 124 6.852 -3.823 8.714 1.00 74.20 C ATOM 1316 CG LYS B 124 6.903 -4.374 10.130 1.00 31.30 C ATOM 1317 CD LYS B 124 8.107 -5.271 10.333 1.00 5.23 C ATOM 1318 CE LYS B 124 7.988 -6.085 11.613 1.00 24.30 C ATOM 1319 NZ LYS B 124 9.302 -6.613 12.057 1.00 4.41 N ATOM 0 H LYS B 124 6.137 -2.924 6.508 1.00 54.30 H new ATOM 0 HA LYS B 124 5.061 -2.725 9.162 1.00 34.10 H new ATOM 0 HB2 LYS B 124 6.488 -4.601 8.043 1.00 74.20 H new ATOM 0 HB3 LYS B 124 7.864 -3.574 8.393 1.00 74.20 H new ATOM 0 HG2 LYS B 124 6.938 -3.549 10.842 1.00 31.30 H new ATOM 0 HG3 LYS B 124 5.991 -4.934 10.337 1.00 31.30 H new ATOM 0 HD2 LYS B 124 8.208 -5.944 9.481 1.00 5.23 H new ATOM 0 HD3 LYS B 124 9.012 -4.664 10.369 1.00 5.23 H new ATOM 0 HE2 LYS B 124 7.562 -5.463 12.400 1.00 24.30 H new ATOM 0 HE3 LYS B 124 7.299 -6.914 11.453 1.00 24.30 H new ATOM 0 HZ1 LYS B 124 9.178 -7.162 12.932 1.00 4.41 H new ATOM 0 HZ2 LYS B 124 9.698 -7.227 11.317 1.00 4.41 H new ATOM 0 HZ3 LYS B 124 9.952 -5.821 12.234 1.00 4.41 H new ATOM 1333 N ALA B 125 7.479 -0.723 8.220 1.00 32.00 N ATOM 1334 CA ALA B 125 8.235 0.465 8.593 1.00 23.20 C ATOM 1335 C ALA B 125 7.355 1.710 8.557 1.00 0.14 C ATOM 1336 O ALA B 125 7.350 2.505 9.496 1.00 31.30 O ATOM 1337 CB ALA B 125 9.433 0.638 7.671 1.00 13.30 C ATOM 0 H ALA B 125 7.603 -1.015 7.250 1.00 32.00 H new ATOM 0 HA ALA B 125 8.591 0.333 9.615 1.00 23.20 H new ATOM 0 HB1 ALA B 125 9.989 1.529 7.961 1.00 13.30 H new ATOM 0 HB2 ALA B 125 10.081 -0.235 7.748 1.00 13.30 H new ATOM 0 HB3 ALA B 125 9.088 0.744 6.642 1.00 13.30 H new ATOM 1343 N LEU B 126 6.611 1.871 7.468 1.00 43.20 N ATOM 1344 CA LEU B 126 5.726 3.019 7.310 1.00 61.00 C ATOM 1345 C LEU B 126 4.594 2.978 8.332 1.00 51.10 C ATOM 1346 O LEU B 126 4.172 4.013 8.848 1.00 35.20 O ATOM 1347 CB LEU B 126 5.149 3.055 5.893 1.00 53.10 C ATOM 1348 CG LEU B 126 6.012 3.784 4.862 1.00 54.00 C ATOM 1349 CD1 LEU B 126 5.720 3.268 3.461 1.00 22.50 C ATOM 1350 CD2 LEU B 126 5.777 5.286 4.939 1.00 65.40 C ATOM 0 H LEU B 126 6.603 1.221 6.682 1.00 43.20 H new ATOM 0 HA LEU B 126 6.311 3.923 7.479 1.00 61.00 H new ATOM 0 HB2 LEU B 126 4.992 2.031 5.555 1.00 53.10 H new ATOM 0 HB3 LEU B 126 4.170 3.532 5.928 1.00 53.10 H new ATOM 0 HG LEU B 126 7.060 3.587 5.088 1.00 54.00 H new ATOM 0 HD11 LEU B 126 6.343 3.798 2.741 1.00 22.50 H new ATOM 0 HD12 LEU B 126 5.938 2.201 3.413 1.00 22.50 H new ATOM 0 HD13 LEU B 126 4.669 3.435 3.224 1.00 22.50 H new ATOM 0 HD21 LEU B 126 6.399 5.790 4.199 1.00 65.40 H new ATOM 0 HD22 LEU B 126 4.727 5.501 4.738 1.00 65.40 H new ATOM 0 HD23 LEU B 126 6.036 5.644 5.935 1.00 65.40 H new