USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 697 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= -0.681 K(o=-0.68,f=0.68) USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 13 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0371) 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=-0.00857 X(o=-0.0086,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -3.17 K(o=-3.2,f=-3.8!) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 37 TYR OH : rot 0:sc= -0.567 USER MOD Single : A 38 GLN : amide:sc= -1.46 X(o=-1.5,f=-1.2) USER MOD Single : A 39 HIS : no HD1:sc=-0.00799 X(o=-0.008,f=0) USER MOD Single : A 42 GLN : amide:sc= -0.929 K(o=-0.93,f=-2.6!) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -0.995 K(o=-1,f=-0.22) USER MOD Single : A 49 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.0567) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) 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 X(o=0,f=0) 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 74:sc= -0.844 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.0186 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+ 161:sc= -0.0659 (180deg=-0.381) 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=-0.09) USER MOD Single : B 122 GLN : amide:sc= -0.297 K(o=-0.3,f=-3.1!) USER MOD Single : B 124 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0352) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 10 -12.021 -8.178 2.993 1.00 64.20 N ATOM 2 CA ASN A 10 -10.597 -7.924 2.807 1.00 63.20 C ATOM 3 C ASN A 10 -10.291 -7.586 1.351 1.00 55.20 C ATOM 4 O ASN A 10 -9.661 -6.569 1.059 1.00 3.05 O ATOM 5 CB ASN A 10 -9.780 -9.141 3.242 1.00 45.30 C ATOM 6 CG ASN A 10 -9.728 -9.294 4.749 1.00 44.40 C ATOM 7 OD1 ASN A 10 -9.268 -8.401 5.460 1.00 13.20 O ATOM 8 ND2 ASN A 10 -10.201 -10.432 5.246 1.00 22.20 N ATOM 0 HA ASN A 10 -10.321 -7.070 3.426 1.00 63.20 H new ATOM 0 HB2 ASN A 10 -10.212 -10.041 2.803 1.00 45.30 H new ATOM 0 HB3 ASN A 10 -8.766 -9.052 2.853 1.00 45.30 H new ATOM 0 HD21 ASN A 10 -10.192 -10.591 6.253 1.00 22.20 H new ATOM 0 HD22 ASN A 10 -10.573 -11.146 4.620 1.00 22.20 H new ATOM 15 N LEU A 11 -10.738 -8.441 0.445 1.00 75.00 N ATOM 16 CA LEU A 11 -10.514 -8.234 -0.982 1.00 2.35 C ATOM 17 C LEU A 11 -11.138 -6.921 -1.444 1.00 3.40 C ATOM 18 O LEU A 11 -10.559 -6.200 -2.256 1.00 14.20 O ATOM 19 CB LEU A 11 -11.087 -9.401 -1.785 1.00 75.10 C ATOM 20 CG LEU A 11 -10.305 -9.762 -3.049 1.00 1.33 C ATOM 21 CD1 LEU A 11 -10.850 -11.041 -3.664 1.00 43.20 C ATOM 22 CD2 LEU A 11 -10.359 -8.619 -4.052 1.00 65.20 C ATOM 0 H LEU A 11 -11.260 -9.288 0.671 1.00 75.00 H new ATOM 0 HA LEU A 11 -9.439 -8.183 -1.153 1.00 2.35 H new ATOM 0 HB2 LEU A 11 -11.131 -10.279 -1.140 1.00 75.10 H new ATOM 0 HB3 LEU A 11 -12.112 -9.160 -2.067 1.00 75.10 H new ATOM 0 HG LEU A 11 -9.263 -9.930 -2.776 1.00 1.33 H new ATOM 0 HD11 LEU A 11 -10.282 -11.283 -4.562 1.00 43.20 H new ATOM 0 HD12 LEU A 11 -10.760 -11.857 -2.947 1.00 43.20 H new ATOM 0 HD13 LEU A 11 -11.899 -10.901 -3.924 1.00 43.20 H new ATOM 0 HD21 LEU A 11 -9.798 -8.892 -4.946 1.00 65.20 H new ATOM 0 HD22 LEU A 11 -11.396 -8.420 -4.322 1.00 65.20 H new ATOM 0 HD23 LEU A 11 -9.922 -7.725 -3.608 1.00 65.20 H new ATOM 34 N GLN A 12 -12.322 -6.620 -0.923 1.00 10.40 N ATOM 35 CA GLN A 12 -13.029 -5.397 -1.284 1.00 43.40 C ATOM 36 C GLN A 12 -12.330 -4.174 -0.702 1.00 54.30 C ATOM 37 O GLN A 12 -12.059 -3.202 -1.408 1.00 2.23 O ATOM 38 CB GLN A 12 -14.474 -5.452 -0.792 1.00 23.30 C ATOM 39 CG GLN A 12 -15.458 -4.740 -1.709 1.00 50.20 C ATOM 40 CD GLN A 12 -16.821 -4.553 -1.070 1.00 73.10 C ATOM 41 OE1 GLN A 12 -17.153 -5.213 -0.086 1.00 45.30 O ATOM 42 NE2 GLN A 12 -17.613 -3.646 -1.626 1.00 42.50 N ATOM 0 H GLN A 12 -12.813 -7.207 -0.248 1.00 10.40 H new ATOM 0 HA GLN A 12 -13.026 -5.314 -2.371 1.00 43.40 H new ATOM 0 HB2 GLN A 12 -14.775 -6.495 -0.690 1.00 23.30 H new ATOM 0 HB3 GLN A 12 -14.528 -5.006 0.201 1.00 23.30 H new ATOM 0 HG2 GLN A 12 -15.053 -3.766 -1.984 1.00 50.20 H new ATOM 0 HG3 GLN A 12 -15.568 -5.311 -2.631 1.00 50.20 H new ATOM 0 HE21 GLN A 12 -17.295 -3.122 -2.442 1.00 42.50 H new ATOM 0 HE22 GLN A 12 -18.540 -3.472 -1.238 1.00 42.50 H new ATOM 51 N LYS A 13 -12.040 -4.229 0.591 1.00 70.50 N ATOM 52 CA LYS A 13 -11.371 -3.125 1.270 1.00 21.50 C ATOM 53 C LYS A 13 -9.991 -2.874 0.671 1.00 23.30 C ATOM 54 O LYS A 13 -9.534 -1.733 0.596 1.00 13.00 O ATOM 55 CB LYS A 13 -11.245 -3.419 2.765 1.00 12.40 C ATOM 56 CG LYS A 13 -12.434 -2.942 3.582 1.00 54.40 C ATOM 57 CD LYS A 13 -13.684 -3.751 3.271 1.00 54.00 C ATOM 58 CE LYS A 13 -14.943 -3.020 3.708 1.00 25.20 C ATOM 59 NZ LYS A 13 -14.951 -2.755 5.174 1.00 10.20 N ATOM 0 H LYS A 13 -12.257 -5.025 1.191 1.00 70.50 H new ATOM 0 HA LYS A 13 -11.975 -2.228 1.133 1.00 21.50 H new ATOM 0 HB2 LYS A 13 -11.125 -4.493 2.907 1.00 12.40 H new ATOM 0 HB3 LYS A 13 -10.340 -2.945 3.145 1.00 12.40 H new ATOM 0 HG2 LYS A 13 -12.203 -3.022 4.644 1.00 54.40 H new ATOM 0 HG3 LYS A 13 -12.620 -1.888 3.375 1.00 54.40 H new ATOM 0 HD2 LYS A 13 -13.732 -3.952 2.201 1.00 54.00 H new ATOM 0 HD3 LYS A 13 -13.629 -4.716 3.775 1.00 54.00 H new ATOM 0 HE2 LYS A 13 -15.021 -2.076 3.168 1.00 25.20 H new ATOM 0 HE3 LYS A 13 -15.818 -3.613 3.441 1.00 25.20 H new ATOM 0 HZ1 LYS A 13 -15.879 -2.379 5.454 1.00 10.20 H new ATOM 0 HZ2 LYS A 13 -14.767 -3.640 5.688 1.00 10.20 H new ATOM 0 HZ3 LYS A 13 -14.212 -2.060 5.405 1.00 10.20 H new ATOM 73 N ALA A 14 -9.332 -3.947 0.246 1.00 3.21 N ATOM 74 CA ALA A 14 -8.004 -3.843 -0.347 1.00 24.30 C ATOM 75 C ALA A 14 -8.027 -2.967 -1.594 1.00 24.10 C ATOM 76 O ALA A 14 -7.240 -2.028 -1.720 1.00 72.30 O ATOM 77 CB ALA A 14 -7.466 -5.226 -0.680 1.00 64.10 C ATOM 0 H ALA A 14 -9.696 -4.898 0.301 1.00 3.21 H new ATOM 0 HA ALA A 14 -7.343 -3.374 0.382 1.00 24.30 H new ATOM 0 HB1 ALA A 14 -6.474 -5.134 -1.122 1.00 64.10 H new ATOM 0 HB2 ALA A 14 -7.403 -5.821 0.231 1.00 64.10 H new ATOM 0 HB3 ALA A 14 -8.135 -5.716 -1.388 1.00 64.10 H new ATOM 83 N ILE A 15 -8.932 -3.281 -2.515 1.00 13.20 N ATOM 84 CA ILE A 15 -9.057 -2.522 -3.753 1.00 63.30 C ATOM 85 C ILE A 15 -9.710 -1.166 -3.504 1.00 20.50 C ATOM 86 O ILE A 15 -9.302 -0.155 -4.076 1.00 54.30 O ATOM 87 CB ILE A 15 -9.881 -3.290 -4.802 1.00 34.20 C ATOM 88 CG1 ILE A 15 -9.372 -4.726 -4.925 1.00 14.10 C ATOM 89 CG2 ILE A 15 -9.817 -2.577 -6.143 1.00 40.20 C ATOM 90 CD1 ILE A 15 -7.920 -4.822 -5.334 1.00 0.45 C ATOM 0 H ILE A 15 -9.589 -4.056 -2.427 1.00 13.20 H new ATOM 0 HA ILE A 15 -8.047 -2.371 -4.134 1.00 63.30 H new ATOM 0 HB ILE A 15 -10.922 -3.323 -4.481 1.00 34.20 H new ATOM 0 HG12 ILE A 15 -9.506 -5.233 -3.969 1.00 14.10 H new ATOM 0 HG13 ILE A 15 -9.982 -5.257 -5.655 1.00 14.10 H new ATOM 0 HG21 ILE A 15 -10.403 -3.129 -6.877 1.00 40.20 H new ATOM 0 HG22 ILE A 15 -10.221 -1.570 -6.039 1.00 40.20 H new ATOM 0 HG23 ILE A 15 -8.781 -2.520 -6.475 1.00 40.20 H new ATOM 0 HD11 ILE A 15 -7.629 -5.870 -5.401 1.00 0.45 H new ATOM 0 HD12 ILE A 15 -7.783 -4.345 -6.304 1.00 0.45 H new ATOM 0 HD13 ILE A 15 -7.299 -4.320 -4.592 1.00 0.45 H new ATOM 102 N ASP A 16 -10.726 -1.153 -2.647 1.00 45.30 N ATOM 103 CA ASP A 16 -11.435 0.079 -2.322 1.00 61.50 C ATOM 104 C ASP A 16 -10.499 1.088 -1.664 1.00 14.20 C ATOM 105 O ASP A 16 -10.499 2.268 -2.014 1.00 23.20 O ATOM 106 CB ASP A 16 -12.616 -0.217 -1.395 1.00 71.40 C ATOM 107 CG ASP A 16 -13.720 0.814 -1.518 1.00 3.42 C ATOM 108 OD1 ASP A 16 -13.538 1.942 -1.010 1.00 0.51 O ATOM 109 OD2 ASP A 16 -14.763 0.498 -2.118 1.00 34.40 O ATOM 0 H ASP A 16 -11.076 -1.981 -2.166 1.00 45.30 H new ATOM 0 HA ASP A 16 -11.809 0.509 -3.251 1.00 61.50 H new ATOM 0 HB2 ASP A 16 -13.017 -1.204 -1.626 1.00 71.40 H new ATOM 0 HB3 ASP A 16 -12.266 -0.249 -0.363 1.00 71.40 H new ATOM 114 N LEU A 17 -9.703 0.616 -0.711 1.00 42.50 N ATOM 115 CA LEU A 17 -8.762 1.478 -0.005 1.00 64.10 C ATOM 116 C LEU A 17 -7.685 1.998 -0.951 1.00 35.40 C ATOM 117 O LEU A 17 -7.372 3.189 -0.957 1.00 42.10 O ATOM 118 CB LEU A 17 -8.115 0.718 1.156 1.00 61.30 C ATOM 119 CG LEU A 17 -8.992 0.564 2.398 1.00 14.40 C ATOM 120 CD1 LEU A 17 -8.481 -0.568 3.277 1.00 41.40 C ATOM 121 CD2 LEU A 17 -9.039 1.868 3.182 1.00 1.05 C ATOM 0 H LEU A 17 -9.690 -0.358 -0.410 1.00 42.50 H new ATOM 0 HA LEU A 17 -9.314 2.330 0.390 1.00 64.10 H new ATOM 0 HB2 LEU A 17 -7.830 -0.274 0.806 1.00 61.30 H new ATOM 0 HB3 LEU A 17 -7.197 1.232 1.440 1.00 61.30 H new ATOM 0 HG LEU A 17 -10.004 0.318 2.076 1.00 14.40 H new ATOM 0 HD11 LEU A 17 -9.118 -0.662 4.156 1.00 41.40 H new ATOM 0 HD12 LEU A 17 -8.498 -1.502 2.715 1.00 41.40 H new ATOM 0 HD13 LEU A 17 -7.460 -0.352 3.591 1.00 41.40 H new ATOM 0 HD21 LEU A 17 -9.668 1.740 4.063 1.00 1.05 H new ATOM 0 HD22 LEU A 17 -8.031 2.142 3.492 1.00 1.05 H new ATOM 0 HD23 LEU A 17 -9.452 2.656 2.553 1.00 1.05 H new ATOM 133 N ALA A 18 -7.121 1.097 -1.749 1.00 75.30 N ATOM 134 CA ALA A 18 -6.079 1.466 -2.699 1.00 2.33 C ATOM 135 C ALA A 18 -6.593 2.488 -3.708 1.00 70.20 C ATOM 136 O ALA A 18 -5.894 3.443 -4.050 1.00 62.10 O ATOM 137 CB ALA A 18 -5.557 0.230 -3.416 1.00 1.14 C ATOM 0 H ALA A 18 -7.368 0.107 -1.756 1.00 75.30 H new ATOM 0 HA ALA A 18 -5.260 1.923 -2.143 1.00 2.33 H new ATOM 0 HB1 ALA A 18 -4.779 0.520 -4.122 1.00 1.14 H new ATOM 0 HB2 ALA A 18 -5.143 -0.466 -2.687 1.00 1.14 H new ATOM 0 HB3 ALA A 18 -6.374 -0.251 -3.953 1.00 1.14 H new ATOM 143 N SER A 19 -7.817 2.281 -4.181 1.00 60.50 N ATOM 144 CA SER A 19 -8.424 3.185 -5.151 1.00 61.20 C ATOM 145 C SER A 19 -8.573 4.587 -4.569 1.00 61.20 C ATOM 146 O SER A 19 -8.501 5.581 -5.293 1.00 65.00 O ATOM 147 CB SER A 19 -9.791 2.654 -5.588 1.00 24.40 C ATOM 148 OG SER A 19 -10.039 2.943 -6.953 1.00 3.23 O ATOM 0 H SER A 19 -8.408 1.496 -3.909 1.00 60.50 H new ATOM 0 HA SER A 19 -7.768 3.240 -6.020 1.00 61.20 H new ATOM 0 HB2 SER A 19 -9.834 1.577 -5.428 1.00 24.40 H new ATOM 0 HB3 SER A 19 -10.572 3.100 -4.971 1.00 24.40 H new ATOM 0 HG SER A 19 -10.918 2.592 -7.207 1.00 3.23 H new ATOM 154 N LYS A 20 -8.781 4.660 -3.259 1.00 61.10 N ATOM 155 CA LYS A 20 -8.939 5.941 -2.580 1.00 30.20 C ATOM 156 C LYS A 20 -7.598 6.657 -2.450 1.00 13.10 C ATOM 157 O LYS A 20 -7.494 7.853 -2.720 1.00 44.40 O ATOM 158 CB LYS A 20 -9.557 5.734 -1.196 1.00 33.00 C ATOM 159 CG LYS A 20 -10.430 6.892 -0.742 1.00 21.30 C ATOM 160 CD LYS A 20 -11.362 6.478 0.386 1.00 43.30 C ATOM 161 CE LYS A 20 -11.522 7.587 1.412 1.00 10.50 C ATOM 162 NZ LYS A 20 -12.458 7.202 2.505 1.00 63.20 N ATOM 0 H LYS A 20 -8.844 3.847 -2.646 1.00 61.10 H new ATOM 0 HA LYS A 20 -9.605 6.563 -3.179 1.00 30.20 H new ATOM 0 HB2 LYS A 20 -10.154 4.822 -1.206 1.00 33.00 H new ATOM 0 HB3 LYS A 20 -8.759 5.585 -0.469 1.00 33.00 H new ATOM 0 HG2 LYS A 20 -9.799 7.716 -0.410 1.00 21.30 H new ATOM 0 HG3 LYS A 20 -11.017 7.259 -1.584 1.00 21.30 H new ATOM 0 HD2 LYS A 20 -12.338 6.217 -0.024 1.00 43.30 H new ATOM 0 HD3 LYS A 20 -10.971 5.584 0.873 1.00 43.30 H new ATOM 0 HE2 LYS A 20 -10.549 7.831 1.837 1.00 10.50 H new ATOM 0 HE3 LYS A 20 -11.890 8.487 0.919 1.00 10.50 H new ATOM 0 HZ1 LYS A 20 -12.540 7.985 3.184 1.00 63.20 H new ATOM 0 HZ2 LYS A 20 -13.394 6.993 2.103 1.00 63.20 H new ATOM 0 HZ3 LYS A 20 -12.094 6.358 2.992 1.00 63.20 H new ATOM 176 N ALA A 21 -6.576 5.917 -2.034 1.00 51.30 N ATOM 177 CA ALA A 21 -5.242 6.482 -1.868 1.00 75.20 C ATOM 178 C ALA A 21 -4.718 7.049 -3.184 1.00 1.23 C ATOM 179 O ALA A 21 -4.084 8.103 -3.208 1.00 52.30 O ATOM 180 CB ALA A 21 -4.287 5.428 -1.328 1.00 3.25 C ATOM 0 H ALA A 21 -6.646 4.925 -1.806 1.00 51.30 H new ATOM 0 HA ALA A 21 -5.307 7.300 -1.151 1.00 75.20 H new ATOM 0 HB1 ALA A 21 -3.295 5.863 -1.209 1.00 3.25 H new ATOM 0 HB2 ALA A 21 -4.646 5.073 -0.362 1.00 3.25 H new ATOM 0 HB3 ALA A 21 -4.235 4.592 -2.026 1.00 3.25 H new ATOM 186 N ALA A 22 -4.988 6.341 -4.276 1.00 12.40 N ATOM 187 CA ALA A 22 -4.544 6.773 -5.595 1.00 55.00 C ATOM 188 C ALA A 22 -5.332 7.990 -6.068 1.00 14.20 C ATOM 189 O ALA A 22 -4.772 8.913 -6.661 1.00 60.40 O ATOM 190 CB ALA A 22 -4.675 5.635 -6.595 1.00 72.20 C ATOM 0 H ALA A 22 -5.512 5.466 -4.273 1.00 12.40 H new ATOM 0 HA ALA A 22 -3.495 7.058 -5.523 1.00 55.00 H new ATOM 0 HB1 ALA A 22 -4.340 5.972 -7.576 1.00 72.20 H new ATOM 0 HB2 ALA A 22 -4.062 4.794 -6.271 1.00 72.20 H new ATOM 0 HB3 ALA A 22 -5.717 5.322 -6.656 1.00 72.20 H new ATOM 196 N GLN A 23 -6.634 7.984 -5.803 1.00 23.30 N ATOM 197 CA GLN A 23 -7.500 9.087 -6.202 1.00 34.50 C ATOM 198 C GLN A 23 -7.050 10.394 -5.555 1.00 65.40 C ATOM 199 O GLN A 23 -7.211 11.470 -6.131 1.00 53.20 O ATOM 200 CB GLN A 23 -8.951 8.788 -5.819 1.00 1.02 C ATOM 201 CG GLN A 23 -9.954 9.745 -6.443 1.00 74.40 C ATOM 202 CD GLN A 23 -11.356 9.558 -5.894 1.00 35.50 C ATOM 203 OE1 GLN A 23 -12.277 9.194 -6.625 1.00 30.50 O ATOM 204 NE2 GLN A 23 -11.523 9.808 -4.600 1.00 62.30 N ATOM 0 H GLN A 23 -7.113 7.228 -5.314 1.00 23.30 H new ATOM 0 HA GLN A 23 -7.432 9.196 -7.284 1.00 34.50 H new ATOM 0 HB2 GLN A 23 -9.196 7.770 -6.122 1.00 1.02 H new ATOM 0 HB3 GLN A 23 -9.048 8.830 -4.734 1.00 1.02 H new ATOM 0 HG2 GLN A 23 -9.632 10.771 -6.265 1.00 74.40 H new ATOM 0 HG3 GLN A 23 -9.968 9.598 -7.523 1.00 74.40 H new ATOM 0 HE21 GLN A 23 -10.731 10.108 -4.032 1.00 62.30 H new ATOM 0 HE22 GLN A 23 -12.444 9.700 -4.174 1.00 62.30 H new ATOM 213 N GLU A 24 -6.486 10.291 -4.356 1.00 32.10 N ATOM 214 CA GLU A 24 -6.014 11.465 -3.631 1.00 52.50 C ATOM 215 C GLU A 24 -4.678 11.946 -4.188 1.00 65.20 C ATOM 216 O GLU A 24 -4.399 13.145 -4.212 1.00 11.40 O ATOM 217 CB GLU A 24 -5.874 11.147 -2.141 1.00 4.22 C ATOM 218 CG GLU A 24 -7.152 11.370 -1.349 1.00 42.50 C ATOM 219 CD GLU A 24 -8.137 10.228 -1.500 1.00 52.50 C ATOM 220 OE1 GLU A 24 -8.740 10.101 -2.587 1.00 72.10 O ATOM 221 OE2 GLU A 24 -8.307 9.459 -0.531 1.00 5.11 O ATOM 0 H GLU A 24 -6.345 9.407 -3.866 1.00 32.10 H new ATOM 0 HA GLU A 24 -6.748 12.261 -3.758 1.00 52.50 H new ATOM 0 HB2 GLU A 24 -5.562 10.109 -2.027 1.00 4.22 H new ATOM 0 HB3 GLU A 24 -5.082 11.766 -1.719 1.00 4.22 H new ATOM 0 HG2 GLU A 24 -6.905 11.495 -0.295 1.00 42.50 H new ATOM 0 HG3 GLU A 24 -7.622 12.297 -1.678 1.00 42.50 H new ATOM 228 N ASP A 25 -3.854 11.002 -4.635 1.00 12.30 N ATOM 229 CA ASP A 25 -2.547 11.330 -5.191 1.00 11.50 C ATOM 230 C ASP A 25 -2.687 12.236 -6.411 1.00 4.51 C ATOM 231 O ASP A 25 -1.963 13.222 -6.550 1.00 42.00 O ATOM 232 CB ASP A 25 -1.797 10.053 -5.573 1.00 14.30 C ATOM 233 CG ASP A 25 -0.392 10.334 -6.068 1.00 71.30 C ATOM 234 OD1 ASP A 25 0.516 10.488 -5.225 1.00 4.14 O ATOM 235 OD2 ASP A 25 -0.200 10.399 -7.301 1.00 64.40 O ATOM 0 H ASP A 25 -4.069 10.005 -4.623 1.00 12.30 H new ATOM 0 HA ASP A 25 -1.978 11.862 -4.429 1.00 11.50 H new ATOM 0 HB2 ASP A 25 -1.749 9.391 -4.709 1.00 14.30 H new ATOM 0 HB3 ASP A 25 -2.354 9.526 -6.348 1.00 14.30 H new ATOM 240 N LYS A 26 -3.621 11.893 -7.292 1.00 14.10 N ATOM 241 CA LYS A 26 -3.855 12.675 -8.500 1.00 42.30 C ATOM 242 C LYS A 26 -4.721 13.894 -8.199 1.00 21.50 C ATOM 243 O LYS A 26 -4.584 14.938 -8.838 1.00 53.50 O ATOM 244 CB LYS A 26 -4.524 11.812 -9.570 1.00 14.40 C ATOM 245 CG LYS A 26 -4.203 12.245 -10.991 1.00 54.10 C ATOM 246 CD LYS A 26 -5.302 11.839 -11.960 1.00 75.50 C ATOM 247 CE LYS A 26 -6.251 12.993 -12.240 1.00 21.40 C ATOM 248 NZ LYS A 26 -7.016 12.790 -13.501 1.00 3.30 N ATOM 0 H LYS A 26 -4.228 11.079 -7.192 1.00 14.10 H new ATOM 0 HA LYS A 26 -2.890 13.020 -8.872 1.00 42.30 H new ATOM 0 HB2 LYS A 26 -4.213 10.776 -9.436 1.00 14.40 H new ATOM 0 HB3 LYS A 26 -5.604 11.842 -9.426 1.00 14.40 H new ATOM 0 HG2 LYS A 26 -4.071 13.327 -11.022 1.00 54.10 H new ATOM 0 HG3 LYS A 26 -3.258 11.800 -11.303 1.00 54.10 H new ATOM 0 HD2 LYS A 26 -4.857 11.497 -12.895 1.00 75.50 H new ATOM 0 HD3 LYS A 26 -5.861 10.999 -11.547 1.00 75.50 H new ATOM 0 HE2 LYS A 26 -6.946 13.102 -11.407 1.00 21.40 H new ATOM 0 HE3 LYS A 26 -5.684 13.922 -12.305 1.00 21.40 H new ATOM 0 HZ1 LYS A 26 -7.651 13.599 -13.656 1.00 3.30 H new ATOM 0 HZ2 LYS A 26 -6.354 12.712 -14.300 1.00 3.30 H new ATOM 0 HZ3 LYS A 26 -7.577 11.917 -13.430 1.00 3.30 H new ATOM 262 N ALA A 27 -5.611 13.755 -7.223 1.00 12.30 N ATOM 263 CA ALA A 27 -6.500 14.845 -6.837 1.00 63.20 C ATOM 264 C ALA A 27 -5.716 16.001 -6.227 1.00 31.20 C ATOM 265 O ALA A 27 -6.021 17.169 -6.473 1.00 43.00 O ATOM 266 CB ALA A 27 -7.554 14.346 -5.862 1.00 24.50 C ATOM 0 H ALA A 27 -5.736 12.898 -6.684 1.00 12.30 H new ATOM 0 HA ALA A 27 -6.997 15.212 -7.735 1.00 63.20 H new ATOM 0 HB1 ALA A 27 -8.210 15.170 -5.583 1.00 24.50 H new ATOM 0 HB2 ALA A 27 -8.141 13.558 -6.333 1.00 24.50 H new ATOM 0 HB3 ALA A 27 -7.067 13.952 -4.970 1.00 24.50 H new ATOM 272 N GLY A 28 -4.706 15.670 -5.429 1.00 12.10 N ATOM 273 CA GLY A 28 -3.895 16.693 -4.796 1.00 62.40 C ATOM 274 C GLY A 28 -3.611 16.389 -3.338 1.00 73.10 C ATOM 275 O GLY A 28 -2.594 16.817 -2.794 1.00 63.30 O ATOM 0 H GLY A 28 -4.435 14.712 -5.210 1.00 12.10 H new ATOM 0 HA2 GLY A 28 -2.952 16.789 -5.334 1.00 62.40 H new ATOM 0 HA3 GLY A 28 -4.404 17.654 -4.871 1.00 62.40 H new ATOM 279 N ASN A 29 -4.515 15.649 -2.704 1.00 51.10 N ATOM 280 CA ASN A 29 -4.357 15.287 -1.299 1.00 51.10 C ATOM 281 C ASN A 29 -3.074 14.493 -1.081 1.00 73.40 C ATOM 282 O ASN A 29 -2.495 13.957 -2.027 1.00 32.30 O ATOM 283 CB ASN A 29 -5.561 14.473 -0.822 1.00 25.10 C ATOM 284 CG ASN A 29 -6.774 15.341 -0.546 1.00 30.10 C ATOM 285 OD1 ASN A 29 -6.683 16.568 -0.533 1.00 4.24 O ATOM 286 ND2 ASN A 29 -7.918 14.705 -0.322 1.00 73.20 N ATOM 0 H ASN A 29 -5.364 15.288 -3.140 1.00 51.10 H new ATOM 0 HA ASN A 29 -4.296 16.207 -0.718 1.00 51.10 H new ATOM 0 HB2 ASN A 29 -5.815 13.729 -1.577 1.00 25.10 H new ATOM 0 HB3 ASN A 29 -5.293 13.930 0.084 1.00 25.10 H new ATOM 0 HD21 ASN A 29 -8.767 15.236 -0.129 1.00 73.20 H new ATOM 0 HD22 ASN A 29 -7.947 13.686 -0.343 1.00 73.20 H new ATOM 293 N TYR A 30 -2.632 14.423 0.171 1.00 42.40 N ATOM 294 CA TYR A 30 -1.415 13.696 0.513 1.00 31.10 C ATOM 295 C TYR A 30 -1.537 13.047 1.887 1.00 5.42 C ATOM 296 O TYR A 30 -1.239 11.865 2.056 1.00 2.53 O ATOM 297 CB TYR A 30 -0.209 14.636 0.485 1.00 62.50 C ATOM 298 CG TYR A 30 -0.090 15.431 -0.795 1.00 0.10 C ATOM 299 CD1 TYR A 30 0.118 14.795 -2.012 1.00 32.40 C ATOM 300 CD2 TYR A 30 -0.187 16.817 -0.786 1.00 21.10 C ATOM 301 CE1 TYR A 30 0.228 15.518 -3.185 1.00 0.00 C ATOM 302 CE2 TYR A 30 -0.080 17.547 -1.955 1.00 45.10 C ATOM 303 CZ TYR A 30 0.127 16.893 -3.151 1.00 4.14 C ATOM 304 OH TYR A 30 0.236 17.617 -4.316 1.00 1.31 O ATOM 0 H TYR A 30 -3.099 14.861 0.965 1.00 42.40 H new ATOM 0 HA TYR A 30 -1.271 12.910 -0.228 1.00 31.10 H new ATOM 0 HB2 TYR A 30 -0.277 15.326 1.326 1.00 62.50 H new ATOM 0 HB3 TYR A 30 0.700 14.051 0.625 1.00 62.50 H new ATOM 0 HD1 TYR A 30 0.195 13.718 -2.042 1.00 32.40 H new ATOM 0 HD2 TYR A 30 -0.349 17.332 0.149 1.00 21.10 H new ATOM 0 HE1 TYR A 30 0.392 15.009 -4.123 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -0.158 18.624 -1.932 1.00 45.10 H new ATOM 0 HH TYR A 30 0.141 18.572 -4.118 1.00 1.31 H new ATOM 314 N GLU A 31 -1.977 13.829 2.867 1.00 65.30 N ATOM 315 CA GLU A 31 -2.138 13.333 4.229 1.00 23.40 C ATOM 316 C GLU A 31 -3.122 12.167 4.272 1.00 42.20 C ATOM 317 O GLU A 31 -2.818 11.104 4.811 1.00 11.40 O ATOM 318 CB GLU A 31 -2.618 14.456 5.150 1.00 51.10 C ATOM 319 CG GLU A 31 -1.490 15.177 5.869 1.00 42.20 C ATOM 320 CD GLU A 31 -1.838 15.521 7.304 1.00 53.50 C ATOM 321 OE1 GLU A 31 -2.630 14.775 7.917 1.00 42.40 O ATOM 322 OE2 GLU A 31 -1.316 16.534 7.815 1.00 32.00 O ATOM 0 H GLU A 31 -2.229 14.810 2.743 1.00 65.30 H new ATOM 0 HA GLU A 31 -1.168 12.978 4.576 1.00 23.40 H new ATOM 0 HB2 GLU A 31 -3.184 15.179 4.563 1.00 51.10 H new ATOM 0 HB3 GLU A 31 -3.302 14.040 5.890 1.00 51.10 H new ATOM 0 HG2 GLU A 31 -0.597 14.552 5.856 1.00 42.20 H new ATOM 0 HG3 GLU A 31 -1.246 16.092 5.329 1.00 42.20 H new ATOM 329 N GLU A 32 -4.303 12.375 3.698 1.00 51.10 N ATOM 330 CA GLU A 32 -5.332 11.341 3.670 1.00 1.03 C ATOM 331 C GLU A 32 -4.919 10.190 2.760 1.00 5.43 C ATOM 332 O GLU A 32 -5.273 9.036 3.003 1.00 3.24 O ATOM 333 CB GLU A 32 -6.663 11.929 3.199 1.00 64.30 C ATOM 334 CG GLU A 32 -6.543 12.775 1.942 1.00 21.40 C ATOM 335 CD GLU A 32 -6.524 14.261 2.241 1.00 35.20 C ATOM 336 OE1 GLU A 32 -7.606 14.828 2.505 1.00 3.01 O ATOM 337 OE2 GLU A 32 -5.428 14.859 2.211 1.00 60.50 O ATOM 0 H GLU A 32 -4.571 13.249 3.246 1.00 51.10 H new ATOM 0 HA GLU A 32 -5.453 10.955 4.682 1.00 1.03 H new ATOM 0 HB2 GLU A 32 -7.365 11.116 3.014 1.00 64.30 H new ATOM 0 HB3 GLU A 32 -7.085 12.538 3.998 1.00 64.30 H new ATOM 0 HG2 GLU A 32 -5.631 12.503 1.411 1.00 21.40 H new ATOM 0 HG3 GLU A 32 -7.378 12.552 1.277 1.00 21.40 H new ATOM 344 N ALA A 33 -4.170 10.511 1.710 1.00 10.00 N ATOM 345 CA ALA A 33 -3.709 9.503 0.764 1.00 3.43 C ATOM 346 C ALA A 33 -2.637 8.616 1.386 1.00 23.10 C ATOM 347 O ALA A 33 -2.553 7.424 1.088 1.00 32.00 O ATOM 348 CB ALA A 33 -3.180 10.168 -0.498 1.00 61.10 C ATOM 0 H ALA A 33 -3.870 11.461 1.493 1.00 10.00 H new ATOM 0 HA ALA A 33 -4.558 8.871 0.501 1.00 3.43 H new ATOM 0 HB1 ALA A 33 -2.839 9.404 -1.196 1.00 61.10 H new ATOM 0 HB2 ALA A 33 -3.974 10.754 -0.961 1.00 61.10 H new ATOM 0 HB3 ALA A 33 -2.347 10.823 -0.242 1.00 61.10 H new ATOM 354 N LEU A 34 -1.820 9.203 2.254 1.00 22.30 N ATOM 355 CA LEU A 34 -0.752 8.466 2.919 1.00 54.20 C ATOM 356 C LEU A 34 -1.326 7.385 3.830 1.00 42.00 C ATOM 357 O LEU A 34 -0.940 6.219 3.745 1.00 12.10 O ATOM 358 CB LEU A 34 0.127 9.421 3.730 1.00 21.30 C ATOM 359 CG LEU A 34 1.612 9.060 3.765 1.00 72.00 C ATOM 360 CD1 LEU A 34 2.380 10.044 4.633 1.00 73.20 C ATOM 361 CD2 LEU A 34 1.803 7.638 4.271 1.00 22.30 C ATOM 0 H LEU A 34 -1.877 10.188 2.514 1.00 22.30 H new ATOM 0 HA LEU A 34 -0.142 7.986 2.154 1.00 54.20 H new ATOM 0 HB2 LEU A 34 0.022 10.425 3.319 1.00 21.30 H new ATOM 0 HB3 LEU A 34 -0.247 9.455 4.753 1.00 21.30 H new ATOM 0 HG LEU A 34 2.005 9.119 2.750 1.00 72.00 H new ATOM 0 HD11 LEU A 34 3.435 9.771 4.646 1.00 73.20 H new ATOM 0 HD12 LEU A 34 2.270 11.050 4.227 1.00 73.20 H new ATOM 0 HD13 LEU A 34 1.986 10.018 5.649 1.00 73.20 H new ATOM 0 HD21 LEU A 34 2.866 7.398 4.289 1.00 22.30 H new ATOM 0 HD22 LEU A 34 1.394 7.552 5.278 1.00 22.30 H new ATOM 0 HD23 LEU A 34 1.286 6.944 3.609 1.00 22.30 H new ATOM 373 N GLN A 35 -2.248 7.781 4.702 1.00 11.10 N ATOM 374 CA GLN A 35 -2.874 6.846 5.628 1.00 53.40 C ATOM 375 C GLN A 35 -3.634 5.759 4.875 1.00 4.12 C ATOM 376 O GLN A 35 -3.595 4.587 5.250 1.00 62.30 O ATOM 377 CB GLN A 35 -3.824 7.588 6.570 1.00 35.20 C ATOM 378 CG GLN A 35 -3.152 8.698 7.362 1.00 31.00 C ATOM 379 CD GLN A 35 -4.047 9.266 8.446 1.00 34.50 C ATOM 380 OE1 GLN A 35 -5.270 9.290 8.307 1.00 73.50 O ATOM 381 NE2 GLN A 35 -3.440 9.727 9.533 1.00 20.20 N ATOM 0 H GLN A 35 -2.577 8.743 4.786 1.00 11.10 H new ATOM 0 HA GLN A 35 -2.086 6.373 6.214 1.00 53.40 H new ATOM 0 HB2 GLN A 35 -4.642 8.013 5.987 1.00 35.20 H new ATOM 0 HB3 GLN A 35 -4.265 6.873 7.265 1.00 35.20 H new ATOM 0 HG2 GLN A 35 -2.238 8.314 7.815 1.00 31.00 H new ATOM 0 HG3 GLN A 35 -2.859 9.498 6.682 1.00 31.00 H new ATOM 0 HE21 GLN A 35 -2.423 9.687 9.605 1.00 20.20 H new ATOM 0 HE22 GLN A 35 -3.990 10.121 10.296 1.00 20.20 H new ATOM 390 N LEU A 36 -4.323 6.156 3.810 1.00 14.50 N ATOM 391 CA LEU A 36 -5.091 5.215 3.003 1.00 5.42 C ATOM 392 C LEU A 36 -4.168 4.253 2.263 1.00 73.40 C ATOM 393 O LEU A 36 -4.525 3.101 2.016 1.00 75.20 O ATOM 394 CB LEU A 36 -5.969 5.970 2.002 1.00 24.30 C ATOM 395 CG LEU A 36 -7.140 6.737 2.616 1.00 55.10 C ATOM 396 CD1 LEU A 36 -7.535 7.908 1.730 1.00 11.10 C ATOM 397 CD2 LEU A 36 -8.325 5.810 2.838 1.00 31.40 C ATOM 0 H LEU A 36 -4.365 7.122 3.486 1.00 14.50 H new ATOM 0 HA LEU A 36 -5.728 4.636 3.671 1.00 5.42 H new ATOM 0 HB2 LEU A 36 -5.343 6.673 1.451 1.00 24.30 H new ATOM 0 HB3 LEU A 36 -6.362 5.257 1.277 1.00 24.30 H new ATOM 0 HG LEU A 36 -6.825 7.130 3.583 1.00 55.10 H new ATOM 0 HD11 LEU A 36 -8.370 8.442 2.183 1.00 11.10 H new ATOM 0 HD12 LEU A 36 -6.687 8.585 1.622 1.00 11.10 H new ATOM 0 HD13 LEU A 36 -7.831 7.538 0.748 1.00 11.10 H new ATOM 0 HD21 LEU A 36 -9.150 6.372 3.276 1.00 31.40 H new ATOM 0 HD22 LEU A 36 -8.640 5.387 1.884 1.00 31.40 H new ATOM 0 HD23 LEU A 36 -8.036 5.005 3.514 1.00 31.40 H new ATOM 409 N TYR A 37 -2.979 4.733 1.912 1.00 51.50 N ATOM 410 CA TYR A 37 -2.004 3.915 1.200 1.00 4.43 C ATOM 411 C TYR A 37 -1.620 2.688 2.022 1.00 62.40 C ATOM 412 O TYR A 37 -1.669 1.560 1.533 1.00 4.33 O ATOM 413 CB TYR A 37 -0.756 4.737 0.877 1.00 20.50 C ATOM 414 CG TYR A 37 -0.809 5.414 -0.475 1.00 44.20 C ATOM 415 CD1 TYR A 37 -1.243 4.725 -1.601 1.00 42.50 C ATOM 416 CD2 TYR A 37 -0.426 6.741 -0.624 1.00 24.00 C ATOM 417 CE1 TYR A 37 -1.293 5.340 -2.837 1.00 45.10 C ATOM 418 CE2 TYR A 37 -0.474 7.362 -1.857 1.00 4.44 C ATOM 419 CZ TYR A 37 -0.908 6.658 -2.961 1.00 64.50 C ATOM 420 OH TYR A 37 -0.956 7.274 -4.190 1.00 22.40 O ATOM 0 H TYR A 37 -2.668 5.684 2.109 1.00 51.50 H new ATOM 0 HA TYR A 37 -2.460 3.579 0.269 1.00 4.43 H new ATOM 0 HB2 TYR A 37 -0.621 5.495 1.648 1.00 20.50 H new ATOM 0 HB3 TYR A 37 0.117 4.086 0.914 1.00 20.50 H new ATOM 0 HD1 TYR A 37 -1.546 3.693 -1.508 1.00 42.50 H new ATOM 0 HD2 TYR A 37 -0.085 7.296 0.238 1.00 24.00 H new ATOM 0 HE1 TYR A 37 -1.632 4.791 -3.703 1.00 45.10 H new ATOM 0 HE2 TYR A 37 -0.173 8.394 -1.956 1.00 4.44 H new ATOM 0 HH TYR A 37 -1.283 6.639 -4.861 1.00 22.40 H new ATOM 430 N GLN A 38 -1.238 2.918 3.274 1.00 0.22 N ATOM 431 CA GLN A 38 -0.845 1.831 4.165 1.00 61.10 C ATOM 432 C GLN A 38 -1.987 0.839 4.350 1.00 5.22 C ATOM 433 O GLN A 38 -1.778 -0.374 4.336 1.00 13.20 O ATOM 434 CB GLN A 38 -0.412 2.388 5.523 1.00 13.20 C ATOM 435 CG GLN A 38 0.787 3.319 5.444 1.00 63.10 C ATOM 436 CD GLN A 38 0.781 4.370 6.537 1.00 53.30 C ATOM 437 OE1 GLN A 38 0.070 4.242 7.533 1.00 74.40 O ATOM 438 NE2 GLN A 38 1.575 5.419 6.353 1.00 30.30 N ATOM 0 H GLN A 38 -1.192 3.846 3.695 1.00 0.22 H new ATOM 0 HA GLN A 38 -0.004 1.308 3.710 1.00 61.10 H new ATOM 0 HB2 GLN A 38 -1.249 2.924 5.970 1.00 13.20 H new ATOM 0 HB3 GLN A 38 -0.174 1.558 6.188 1.00 13.20 H new ATOM 0 HG2 GLN A 38 1.703 2.733 5.514 1.00 63.10 H new ATOM 0 HG3 GLN A 38 0.797 3.811 4.472 1.00 63.10 H new ATOM 0 HE21 GLN A 38 2.148 5.484 5.511 1.00 30.30 H new ATOM 0 HE22 GLN A 38 1.612 6.160 7.053 1.00 30.30 H new ATOM 447 N HIS A 39 -3.197 1.362 4.524 1.00 43.10 N ATOM 448 CA HIS A 39 -4.373 0.522 4.712 1.00 41.30 C ATOM 449 C HIS A 39 -4.590 -0.388 3.507 1.00 62.20 C ATOM 450 O HIS A 39 -4.716 -1.605 3.651 1.00 14.40 O ATOM 451 CB HIS A 39 -5.614 1.387 4.941 1.00 11.50 C ATOM 452 CG HIS A 39 -5.698 1.957 6.323 1.00 14.10 C ATOM 453 ND1 HIS A 39 -6.893 2.171 6.977 1.00 71.20 N ATOM 454 CD2 HIS A 39 -4.727 2.357 7.178 1.00 24.30 C ATOM 455 CE1 HIS A 39 -6.654 2.679 8.173 1.00 75.20 C ATOM 456 NE2 HIS A 39 -5.349 2.801 8.320 1.00 54.40 N ATOM 0 H HIS A 39 -3.388 2.364 4.539 1.00 43.10 H new ATOM 0 HA HIS A 39 -4.206 -0.101 5.591 1.00 41.30 H new ATOM 0 HB2 HIS A 39 -5.616 2.204 4.219 1.00 11.50 H new ATOM 0 HB3 HIS A 39 -6.505 0.789 4.748 1.00 11.50 H new ATOM 0 HD2 HIS A 39 -3.663 2.332 6.996 1.00 24.30 H new ATOM 0 HE1 HIS A 39 -7.400 2.949 8.906 1.00 75.20 H new ATOM 0 HE2 HIS A 39 -4.878 3.166 9.148 1.00 54.40 H new ATOM 465 N ALA A 40 -4.634 0.209 2.321 1.00 4.44 N ATOM 466 CA ALA A 40 -4.835 -0.548 1.092 1.00 33.10 C ATOM 467 C ALA A 40 -3.727 -1.577 0.892 1.00 62.10 C ATOM 468 O ALA A 40 -3.994 -2.751 0.637 1.00 10.00 O ATOM 469 CB ALA A 40 -4.907 0.393 -0.101 1.00 33.20 C ATOM 0 H ALA A 40 -4.533 1.215 2.185 1.00 4.44 H new ATOM 0 HA ALA A 40 -5.780 -1.084 1.175 1.00 33.10 H new ATOM 0 HB1 ALA A 40 -5.057 -0.186 -1.012 1.00 33.20 H new ATOM 0 HB2 ALA A 40 -5.739 1.085 0.031 1.00 33.20 H new ATOM 0 HB3 ALA A 40 -3.976 0.955 -0.178 1.00 33.20 H new ATOM 475 N VAL A 41 -2.482 -1.126 1.008 1.00 45.10 N ATOM 476 CA VAL A 41 -1.333 -2.007 0.841 1.00 24.10 C ATOM 477 C VAL A 41 -1.330 -3.111 1.892 1.00 21.10 C ATOM 478 O VAL A 41 -0.888 -4.230 1.631 1.00 22.20 O ATOM 479 CB VAL A 41 -0.008 -1.226 0.928 1.00 2.13 C ATOM 480 CG1 VAL A 41 1.172 -2.131 0.604 1.00 73.10 C ATOM 481 CG2 VAL A 41 -0.034 -0.021 -0.002 1.00 1.33 C ATOM 0 H VAL A 41 -2.244 -0.156 1.217 1.00 45.10 H new ATOM 0 HA VAL A 41 -1.418 -2.453 -0.150 1.00 24.10 H new ATOM 0 HB VAL A 41 0.110 -0.866 1.950 1.00 2.13 H new ATOM 0 HG11 VAL A 41 2.098 -1.560 0.671 1.00 73.10 H new ATOM 0 HG12 VAL A 41 1.203 -2.957 1.315 1.00 73.10 H new ATOM 0 HG13 VAL A 41 1.061 -2.525 -0.406 1.00 73.10 H new ATOM 0 HG21 VAL A 41 0.911 0.518 0.074 1.00 1.33 H new ATOM 0 HG22 VAL A 41 -0.179 -0.357 -1.029 1.00 1.33 H new ATOM 0 HG23 VAL A 41 -0.853 0.640 0.282 1.00 1.33 H new ATOM 491 N GLN A 42 -1.825 -2.788 3.083 1.00 35.40 N ATOM 492 CA GLN A 42 -1.880 -3.753 4.176 1.00 31.20 C ATOM 493 C GLN A 42 -2.856 -4.880 3.858 1.00 11.20 C ATOM 494 O GLN A 42 -2.592 -6.046 4.151 1.00 1.02 O ATOM 495 CB GLN A 42 -2.289 -3.060 5.476 1.00 52.50 C ATOM 496 CG GLN A 42 -1.146 -2.327 6.160 1.00 13.20 C ATOM 497 CD GLN A 42 -0.448 -3.179 7.201 1.00 22.50 C ATOM 498 OE1 GLN A 42 -1.016 -4.143 7.714 1.00 62.30 O ATOM 499 NE2 GLN A 42 0.793 -2.828 7.517 1.00 31.20 N ATOM 0 H GLN A 42 -2.194 -1.866 3.316 1.00 35.40 H new ATOM 0 HA GLN A 42 -0.886 -4.182 4.299 1.00 31.20 H new ATOM 0 HB2 GLN A 42 -3.089 -2.351 5.264 1.00 52.50 H new ATOM 0 HB3 GLN A 42 -2.695 -3.803 6.162 1.00 52.50 H new ATOM 0 HG2 GLN A 42 -0.422 -2.010 5.410 1.00 13.20 H new ATOM 0 HG3 GLN A 42 -1.530 -1.423 6.633 1.00 13.20 H new ATOM 0 HE21 GLN A 42 1.225 -2.021 7.067 1.00 31.20 H new ATOM 0 HE22 GLN A 42 1.314 -3.365 8.210 1.00 31.20 H new ATOM 508 N TYR A 43 -3.987 -4.525 3.256 1.00 64.50 N ATOM 509 CA TYR A 43 -5.004 -5.508 2.899 1.00 30.50 C ATOM 510 C TYR A 43 -4.554 -6.349 1.710 1.00 51.30 C ATOM 511 O TYR A 43 -4.873 -7.534 1.618 1.00 23.10 O ATOM 512 CB TYR A 43 -6.326 -4.810 2.576 1.00 54.40 C ATOM 513 CG TYR A 43 -7.251 -4.684 3.766 1.00 23.40 C ATOM 514 CD1 TYR A 43 -7.126 -3.626 4.657 1.00 52.40 C ATOM 515 CD2 TYR A 43 -8.251 -5.621 3.995 1.00 21.10 C ATOM 516 CE1 TYR A 43 -7.969 -3.507 5.745 1.00 14.30 C ATOM 517 CE2 TYR A 43 -9.099 -5.508 5.081 1.00 62.40 C ATOM 518 CZ TYR A 43 -8.953 -4.449 5.954 1.00 14.20 C ATOM 519 OH TYR A 43 -9.795 -4.334 7.035 1.00 25.30 O ATOM 0 H TYR A 43 -4.222 -3.565 3.005 1.00 64.50 H new ATOM 0 HA TYR A 43 -5.150 -6.170 3.753 1.00 30.50 H new ATOM 0 HB2 TYR A 43 -6.115 -3.815 2.183 1.00 54.40 H new ATOM 0 HB3 TYR A 43 -6.836 -5.363 1.787 1.00 54.40 H new ATOM 0 HD1 TYR A 43 -6.357 -2.884 4.497 1.00 52.40 H new ATOM 0 HD2 TYR A 43 -8.368 -6.451 3.314 1.00 21.10 H new ATOM 0 HE1 TYR A 43 -7.857 -2.679 6.429 1.00 14.30 H new ATOM 0 HE2 TYR A 43 -9.872 -6.245 5.245 1.00 62.40 H new ATOM 0 HH TYR A 43 -10.431 -5.079 7.035 1.00 25.30 H new ATOM 529 N PHE A 44 -3.810 -5.727 0.802 1.00 32.20 N ATOM 530 CA PHE A 44 -3.314 -6.415 -0.383 1.00 14.00 C ATOM 531 C PHE A 44 -2.460 -7.621 0.003 1.00 25.30 C ATOM 532 O PHE A 44 -2.700 -8.737 -0.457 1.00 42.10 O ATOM 533 CB PHE A 44 -2.499 -5.452 -1.246 1.00 51.50 C ATOM 534 CG PHE A 44 -3.272 -4.877 -2.399 1.00 65.20 C ATOM 535 CD1 PHE A 44 -3.962 -5.706 -3.269 1.00 5.34 C ATOM 536 CD2 PHE A 44 -3.309 -3.509 -2.612 1.00 43.40 C ATOM 537 CE1 PHE A 44 -4.674 -5.182 -4.330 1.00 25.50 C ATOM 538 CE2 PHE A 44 -4.019 -2.978 -3.672 1.00 73.10 C ATOM 539 CZ PHE A 44 -4.704 -3.816 -4.532 1.00 3.43 C ATOM 0 H PHE A 44 -3.537 -4.746 0.865 1.00 32.20 H new ATOM 0 HA PHE A 44 -4.171 -6.771 -0.954 1.00 14.00 H new ATOM 0 HB2 PHE A 44 -2.135 -4.637 -0.621 1.00 51.50 H new ATOM 0 HB3 PHE A 44 -1.623 -5.974 -1.631 1.00 51.50 H new ATOM 0 HD1 PHE A 44 -3.943 -6.775 -3.115 1.00 5.34 H new ATOM 0 HD2 PHE A 44 -2.777 -2.850 -1.942 1.00 43.40 H new ATOM 0 HE1 PHE A 44 -5.207 -5.840 -5.001 1.00 25.50 H new ATOM 0 HE2 PHE A 44 -4.039 -1.910 -3.828 1.00 73.10 H new ATOM 0 HZ PHE A 44 -5.261 -3.403 -5.360 1.00 3.43 H new ATOM 549 N LEU A 45 -1.465 -7.386 0.851 1.00 13.20 N ATOM 550 CA LEU A 45 -0.575 -8.452 1.299 1.00 41.20 C ATOM 551 C LEU A 45 -1.305 -9.415 2.229 1.00 40.30 C ATOM 552 O LEU A 45 -0.992 -10.598 2.278 1.00 32.20 O ATOM 553 CB LEU A 45 0.643 -7.862 2.011 1.00 73.10 C ATOM 554 CG LEU A 45 1.947 -8.635 1.811 1.00 52.40 C ATOM 555 CD1 LEU A 45 2.325 -8.673 0.338 1.00 32.50 C ATOM 556 CD2 LEU A 45 3.066 -8.015 2.635 1.00 53.50 C ATOM 0 H LEU A 45 -1.254 -6.468 1.242 1.00 13.20 H new ATOM 0 HA LEU A 45 -0.241 -9.006 0.421 1.00 41.20 H new ATOM 0 HB2 LEU A 45 0.788 -6.839 1.663 1.00 73.10 H new ATOM 0 HB3 LEU A 45 0.430 -7.809 3.079 1.00 73.10 H new ATOM 0 HG LEU A 45 1.796 -9.659 2.152 1.00 52.40 H new ATOM 0 HD11 LEU A 45 3.256 -9.227 0.215 1.00 32.50 H new ATOM 0 HD12 LEU A 45 1.533 -9.163 -0.228 1.00 32.50 H new ATOM 0 HD13 LEU A 45 2.457 -7.656 -0.030 1.00 32.50 H new ATOM 0 HD21 LEU A 45 3.986 -8.578 2.480 1.00 53.50 H new ATOM 0 HD22 LEU A 45 3.217 -6.981 2.325 1.00 53.50 H new ATOM 0 HD23 LEU A 45 2.798 -8.041 3.691 1.00 53.50 H new ATOM 568 N HIS A 46 -2.282 -8.894 2.965 1.00 65.10 N ATOM 569 CA HIS A 46 -3.057 -9.708 3.895 1.00 43.00 C ATOM 570 C HIS A 46 -3.755 -10.852 3.166 1.00 0.42 C ATOM 571 O HIS A 46 -3.595 -12.013 3.522 1.00 1.31 O ATOM 572 CB HIS A 46 -4.090 -8.845 4.621 1.00 44.50 C ATOM 573 CG HIS A 46 -4.879 -9.594 5.649 1.00 54.00 C ATOM 574 ND1 HIS A 46 -4.862 -9.276 6.991 1.00 64.20 N ATOM 575 CD2 HIS A 46 -5.713 -10.654 5.528 1.00 71.10 C ATOM 576 CE1 HIS A 46 -5.651 -10.107 7.650 1.00 62.00 C ATOM 577 NE2 HIS A 46 -6.179 -10.953 6.784 1.00 53.50 N ATOM 0 H HIS A 46 -2.556 -7.912 2.935 1.00 65.10 H new ATOM 0 HA HIS A 46 -2.370 -10.133 4.627 1.00 43.00 H new ATOM 0 HB2 HIS A 46 -3.580 -8.011 5.103 1.00 44.50 H new ATOM 0 HB3 HIS A 46 -4.775 -8.419 3.888 1.00 44.50 H new ATOM 0 HD2 HIS A 46 -5.965 -11.169 4.613 1.00 71.10 H new ATOM 0 HE1 HIS A 46 -5.833 -10.096 8.715 1.00 62.00 H new ATOM 0 HE2 HIS A 46 -6.828 -11.706 7.012 1.00 53.50 H new ATOM 586 N VAL A 47 -4.533 -10.510 2.145 1.00 52.40 N ATOM 587 CA VAL A 47 -5.256 -11.509 1.368 1.00 1.21 C ATOM 588 C VAL A 47 -4.296 -12.477 0.689 1.00 4.35 C ATOM 589 O VAL A 47 -4.565 -13.678 0.606 1.00 64.50 O ATOM 590 CB VAL A 47 -6.147 -10.853 0.296 1.00 11.20 C ATOM 591 CG1 VAL A 47 -7.270 -10.060 0.947 1.00 23.20 C ATOM 592 CG2 VAL A 47 -5.317 -9.964 -0.617 1.00 65.50 C ATOM 0 H VAL A 47 -4.679 -9.549 1.836 1.00 52.40 H new ATOM 0 HA VAL A 47 -5.887 -12.056 2.068 1.00 1.21 H new ATOM 0 HB VAL A 47 -6.594 -11.641 -0.310 1.00 11.20 H new ATOM 0 HG11 VAL A 47 -7.889 -9.604 0.174 1.00 23.20 H new ATOM 0 HG12 VAL A 47 -7.881 -10.727 1.555 1.00 23.20 H new ATOM 0 HG13 VAL A 47 -6.846 -9.280 1.579 1.00 23.20 H new ATOM 0 HG21 VAL A 47 -5.963 -9.509 -1.368 1.00 65.50 H new ATOM 0 HG22 VAL A 47 -4.840 -9.182 -0.027 1.00 65.50 H new ATOM 0 HG23 VAL A 47 -4.552 -10.563 -1.111 1.00 65.50 H new ATOM 602 N VAL A 48 -3.176 -11.947 0.206 1.00 43.40 N ATOM 603 CA VAL A 48 -2.175 -12.769 -0.464 1.00 72.10 C ATOM 604 C VAL A 48 -1.576 -13.800 0.494 1.00 75.50 C ATOM 605 O VAL A 48 -1.272 -14.922 0.100 1.00 3.11 O ATOM 606 CB VAL A 48 -1.037 -11.915 -1.050 1.00 74.40 C ATOM 607 CG1 VAL A 48 -0.074 -12.771 -1.856 1.00 31.10 C ATOM 608 CG2 VAL A 48 -1.605 -10.793 -1.905 1.00 60.30 C ATOM 0 H VAL A 48 -2.940 -10.956 0.266 1.00 43.40 H new ATOM 0 HA VAL A 48 -2.688 -13.282 -1.277 1.00 72.10 H new ATOM 0 HB VAL A 48 -0.480 -11.473 -0.224 1.00 74.40 H new ATOM 0 HG11 VAL A 48 0.721 -12.143 -2.259 1.00 31.10 H new ATOM 0 HG12 VAL A 48 0.359 -13.536 -1.212 1.00 31.10 H new ATOM 0 HG13 VAL A 48 -0.610 -13.248 -2.676 1.00 31.10 H new ATOM 0 HG21 VAL A 48 -0.788 -10.197 -2.313 1.00 60.30 H new ATOM 0 HG22 VAL A 48 -2.188 -11.218 -2.722 1.00 60.30 H new ATOM 0 HG23 VAL A 48 -2.247 -10.159 -1.293 1.00 60.30 H new ATOM 618 N LYS A 49 -1.415 -13.398 1.751 1.00 21.00 N ATOM 619 CA LYS A 49 -0.853 -14.288 2.766 1.00 21.30 C ATOM 620 C LYS A 49 -1.805 -15.441 3.069 1.00 61.40 C ATOM 621 O LYS A 49 -1.373 -16.550 3.382 1.00 54.50 O ATOM 622 CB LYS A 49 -0.551 -13.507 4.047 1.00 40.50 C ATOM 623 CG LYS A 49 0.923 -13.182 4.229 1.00 23.30 C ATOM 624 CD LYS A 49 1.287 -11.853 3.596 1.00 53.10 C ATOM 625 CE LYS A 49 0.745 -10.687 4.405 1.00 31.00 C ATOM 626 NZ LYS A 49 1.653 -10.318 5.526 1.00 72.40 N ATOM 0 H LYS A 49 -1.663 -12.469 2.091 1.00 21.00 H new ATOM 0 HA LYS A 49 0.076 -14.704 2.375 1.00 21.30 H new ATOM 0 HB2 LYS A 49 -1.121 -12.578 4.039 1.00 40.50 H new ATOM 0 HB3 LYS A 49 -0.896 -14.085 4.905 1.00 40.50 H new ATOM 0 HG2 LYS A 49 1.161 -13.156 5.292 1.00 23.30 H new ATOM 0 HG3 LYS A 49 1.528 -13.974 3.786 1.00 23.30 H new ATOM 0 HD2 LYS A 49 2.371 -11.771 3.517 1.00 53.10 H new ATOM 0 HD3 LYS A 49 0.890 -11.810 2.582 1.00 53.10 H new ATOM 0 HE2 LYS A 49 0.606 -9.826 3.752 1.00 31.00 H new ATOM 0 HE3 LYS A 49 -0.236 -10.946 4.803 1.00 31.00 H new ATOM 0 HZ1 LYS A 49 1.136 -9.733 6.213 1.00 72.40 H new ATOM 0 HZ2 LYS A 49 1.995 -11.181 5.994 1.00 72.40 H new ATOM 0 HZ3 LYS A 49 2.463 -9.781 5.155 1.00 72.40 H new ATOM 640 N TYR A 50 -3.103 -15.172 2.973 1.00 53.30 N ATOM 641 CA TYR A 50 -4.118 -16.182 3.237 1.00 61.00 C ATOM 642 C TYR A 50 -4.989 -16.417 2.008 1.00 34.10 C ATOM 643 O TYR A 50 -6.170 -16.746 2.125 1.00 73.30 O ATOM 644 CB TYR A 50 -4.991 -15.764 4.423 1.00 41.10 C ATOM 645 CG TYR A 50 -4.216 -15.566 5.706 1.00 55.20 C ATOM 646 CD1 TYR A 50 -3.315 -14.521 5.843 1.00 3.51 C ATOM 647 CD2 TYR A 50 -4.381 -16.432 6.780 1.00 54.50 C ATOM 648 CE1 TYR A 50 -2.608 -14.330 7.013 1.00 51.40 C ATOM 649 CE2 TYR A 50 -3.676 -16.252 7.955 1.00 34.00 C ATOM 650 CZ TYR A 50 -2.789 -15.207 8.067 1.00 30.10 C ATOM 651 OH TYR A 50 -2.083 -15.028 9.235 1.00 52.20 O ATOM 0 H TYR A 50 -3.476 -14.259 2.713 1.00 53.30 H new ATOM 0 HA TYR A 50 -3.608 -17.114 3.481 1.00 61.00 H new ATOM 0 HB2 TYR A 50 -5.508 -14.837 4.174 1.00 41.10 H new ATOM 0 HB3 TYR A 50 -5.757 -16.523 4.585 1.00 41.10 H new ATOM 0 HD1 TYR A 50 -3.163 -13.842 5.017 1.00 3.51 H new ATOM 0 HD2 TYR A 50 -5.071 -17.259 6.695 1.00 54.50 H new ATOM 0 HE1 TYR A 50 -1.920 -13.503 7.105 1.00 51.40 H new ATOM 0 HE2 TYR A 50 -3.821 -16.930 8.783 1.00 34.00 H new ATOM 0 HH TYR A 50 -2.327 -15.729 9.875 1.00 52.20 H new ATOM 661 N GLU A 51 -4.397 -16.252 0.830 1.00 72.10 N ATOM 662 CA GLU A 51 -5.118 -16.444 -0.420 1.00 51.20 C ATOM 663 C GLU A 51 -4.199 -16.232 -1.620 1.00 61.00 C ATOM 664 O GLU A 51 -4.030 -15.121 -2.102 1.00 2.24 O ATOM 665 CB GLU A 51 -6.306 -15.482 -0.505 1.00 3.04 C ATOM 666 CG GLU A 51 -7.461 -16.003 -1.335 1.00 20.30 C ATOM 667 CD GLU A 51 -8.815 -15.598 -0.780 1.00 55.30 C ATOM 668 OE1 GLU A 51 -9.135 -16.018 0.355 1.00 71.30 O ATOM 669 OE2 GLU A 51 -9.549 -14.869 -1.476 1.00 21.40 O ATOM 0 H GLU A 51 -3.419 -15.986 0.716 1.00 72.10 H new ATOM 0 HA GLU A 51 -5.485 -17.470 -0.439 1.00 51.20 H new ATOM 0 HB2 GLU A 51 -6.662 -15.271 0.503 1.00 3.04 H new ATOM 0 HB3 GLU A 51 -5.966 -14.537 -0.927 1.00 3.04 H new ATOM 0 HG2 GLU A 51 -7.366 -15.631 -2.355 1.00 20.30 H new ATOM 0 HG3 GLU A 51 -7.405 -17.090 -1.385 1.00 20.30 H new ATOM 676 N ALA A 52 -3.601 -17.322 -2.094 1.00 34.40 N ATOM 677 CA ALA A 52 -2.695 -17.266 -3.234 1.00 31.40 C ATOM 678 C ALA A 52 -3.154 -18.213 -4.346 1.00 42.10 C ATOM 679 O ALA A 52 -3.019 -19.431 -4.236 1.00 24.00 O ATOM 680 CB ALA A 52 -1.284 -17.602 -2.807 1.00 53.10 C ATOM 0 H ALA A 52 -3.729 -18.256 -1.704 1.00 34.40 H new ATOM 0 HA ALA A 52 -2.709 -16.249 -3.626 1.00 31.40 H new ATOM 0 HB1 ALA A 52 -0.621 -17.555 -3.671 1.00 53.10 H new ATOM 0 HB2 ALA A 52 -0.951 -16.886 -2.055 1.00 53.10 H new ATOM 0 HB3 ALA A 52 -1.261 -18.607 -2.386 1.00 53.10 H new ATOM 686 N GLN A 53 -3.695 -17.635 -5.415 1.00 25.30 N ATOM 687 CA GLN A 53 -4.171 -18.429 -6.545 1.00 23.10 C ATOM 688 C GLN A 53 -3.135 -18.459 -7.664 1.00 11.40 C ATOM 689 O GLN A 53 -3.485 -18.501 -8.847 1.00 12.30 O ATOM 690 CB GLN A 53 -5.488 -17.858 -7.072 1.00 30.50 C ATOM 691 CG GLN A 53 -6.622 -17.901 -6.059 1.00 40.30 C ATOM 692 CD GLN A 53 -7.943 -17.443 -6.640 1.00 24.20 C ATOM 693 OE1 GLN A 53 -8.297 -16.269 -6.562 1.00 34.50 O ATOM 694 NE2 GLN A 53 -8.685 -18.384 -7.231 1.00 1.13 N ATOM 0 H GLN A 53 -3.814 -16.628 -5.523 1.00 25.30 H new ATOM 0 HA GLN A 53 -4.335 -19.449 -6.198 1.00 23.10 H new ATOM 0 HB2 GLN A 53 -5.328 -16.825 -7.381 1.00 30.50 H new ATOM 0 HB3 GLN A 53 -5.785 -18.415 -7.961 1.00 30.50 H new ATOM 0 HG2 GLN A 53 -6.729 -18.918 -5.682 1.00 40.30 H new ATOM 0 HG3 GLN A 53 -6.367 -17.271 -5.207 1.00 40.30 H new ATOM 0 HE21 GLN A 53 -8.350 -19.347 -7.272 1.00 1.13 H new ATOM 0 HE22 GLN A 53 -9.586 -18.140 -7.641 1.00 1.13 H new ATOM 703 N GLY A 54 -1.863 -18.433 -7.285 1.00 4.55 N ATOM 704 CA GLY A 54 -0.794 -18.464 -8.267 1.00 61.10 C ATOM 705 C GLY A 54 0.287 -17.445 -7.977 1.00 33.10 C ATOM 706 O GLY A 54 0.375 -16.918 -6.865 1.00 40.40 O ATOM 0 H GLY A 54 -1.552 -18.391 -6.315 1.00 4.55 H new ATOM 0 HA2 GLY A 54 -0.353 -19.461 -8.289 1.00 61.10 H new ATOM 0 HA3 GLY A 54 -1.209 -18.277 -9.257 1.00 61.10 H new ATOM 710 N ASP A 55 1.122 -17.165 -8.973 1.00 23.30 N ATOM 711 CA ASP A 55 2.199 -16.203 -8.826 1.00 15.40 C ATOM 712 C ASP A 55 1.855 -14.879 -9.512 1.00 43.20 C ATOM 713 O ASP A 55 2.292 -13.818 -9.077 1.00 2.21 O ATOM 714 CB ASP A 55 3.496 -16.766 -9.402 1.00 12.30 C ATOM 715 CG ASP A 55 4.203 -17.697 -8.435 1.00 23.10 C ATOM 716 OD1 ASP A 55 4.162 -17.428 -7.216 1.00 72.30 O ATOM 717 OD2 ASP A 55 4.797 -18.698 -8.896 1.00 64.50 O ATOM 0 H ASP A 55 1.069 -17.597 -9.896 1.00 23.30 H new ATOM 0 HA ASP A 55 2.334 -16.012 -7.761 1.00 15.40 H new ATOM 0 HB2 ASP A 55 3.277 -17.303 -10.325 1.00 12.30 H new ATOM 0 HB3 ASP A 55 4.162 -15.943 -9.662 1.00 12.30 H new ATOM 722 N LYS A 56 1.076 -14.965 -10.583 1.00 50.20 N ATOM 723 CA LYS A 56 0.681 -13.773 -11.324 1.00 33.10 C ATOM 724 C LYS A 56 -0.089 -12.799 -10.436 1.00 54.10 C ATOM 725 O LYS A 56 0.196 -11.609 -10.421 1.00 33.00 O ATOM 726 CB LYS A 56 -0.189 -14.166 -12.527 1.00 13.20 C ATOM 727 CG LYS A 56 -0.125 -13.178 -13.676 1.00 54.30 C ATOM 728 CD LYS A 56 -1.433 -13.116 -14.431 1.00 30.20 C ATOM 729 CE LYS A 56 -2.294 -11.950 -13.977 1.00 44.20 C ATOM 730 NZ LYS A 56 -2.110 -10.753 -14.843 1.00 61.20 N ATOM 0 H LYS A 56 0.708 -15.840 -10.956 1.00 50.20 H new ATOM 0 HA LYS A 56 1.588 -13.279 -11.672 1.00 33.10 H new ATOM 0 HB2 LYS A 56 0.124 -15.147 -12.885 1.00 13.20 H new ATOM 0 HB3 LYS A 56 -1.224 -14.262 -12.199 1.00 13.20 H new ATOM 0 HG2 LYS A 56 0.121 -12.188 -13.292 1.00 54.30 H new ATOM 0 HG3 LYS A 56 0.676 -13.464 -14.358 1.00 54.30 H new ATOM 0 HD2 LYS A 56 -1.232 -13.025 -15.498 1.00 30.20 H new ATOM 0 HD3 LYS A 56 -1.979 -14.048 -14.288 1.00 30.20 H new ATOM 0 HE2 LYS A 56 -3.343 -12.248 -13.987 1.00 44.20 H new ATOM 0 HE3 LYS A 56 -2.045 -11.695 -12.947 1.00 44.20 H new ATOM 0 HZ1 LYS A 56 -2.715 -9.980 -14.500 1.00 61.20 H new ATOM 0 HZ2 LYS A 56 -1.115 -10.453 -14.814 1.00 61.20 H new ATOM 0 HZ3 LYS A 56 -2.372 -10.989 -15.821 1.00 61.20 H new ATOM 744 N ALA A 57 -1.050 -13.327 -9.685 1.00 0.23 N ATOM 745 CA ALA A 57 -1.851 -12.505 -8.787 1.00 21.20 C ATOM 746 C ALA A 57 -0.984 -11.827 -7.743 1.00 2.44 C ATOM 747 O ALA A 57 -1.169 -10.650 -7.435 1.00 63.20 O ATOM 748 CB ALA A 57 -2.930 -13.342 -8.121 1.00 60.10 C ATOM 0 H ALA A 57 -1.292 -14.318 -9.681 1.00 0.23 H new ATOM 0 HA ALA A 57 -2.330 -11.727 -9.381 1.00 21.20 H new ATOM 0 HB1 ALA A 57 -3.519 -12.713 -7.454 1.00 60.10 H new ATOM 0 HB2 ALA A 57 -3.580 -13.771 -8.883 1.00 60.10 H new ATOM 0 HB3 ALA A 57 -2.466 -14.144 -7.547 1.00 60.10 H new ATOM 754 N LYS A 58 -0.033 -12.575 -7.198 1.00 51.10 N ATOM 755 CA LYS A 58 0.871 -12.045 -6.183 1.00 43.00 C ATOM 756 C LYS A 58 1.851 -11.050 -6.794 1.00 14.20 C ATOM 757 O LYS A 58 2.271 -10.096 -6.140 1.00 23.20 O ATOM 758 CB LYS A 58 1.638 -13.183 -5.506 1.00 34.10 C ATOM 759 CG LYS A 58 0.738 -14.285 -4.976 1.00 25.30 C ATOM 760 CD LYS A 58 1.553 -15.439 -4.405 1.00 63.30 C ATOM 761 CE LYS A 58 1.679 -15.335 -2.895 1.00 30.00 C ATOM 762 NZ LYS A 58 2.283 -16.567 -2.303 1.00 72.30 N ATOM 0 H LYS A 58 0.133 -13.551 -7.442 1.00 51.10 H new ATOM 0 HA LYS A 58 0.272 -11.526 -5.435 1.00 43.00 H new ATOM 0 HB2 LYS A 58 2.343 -13.611 -6.219 1.00 34.10 H new ATOM 0 HB3 LYS A 58 2.225 -12.776 -4.683 1.00 34.10 H new ATOM 0 HG2 LYS A 58 0.083 -13.882 -4.203 1.00 25.30 H new ATOM 0 HG3 LYS A 58 0.097 -14.651 -5.778 1.00 25.30 H new ATOM 0 HD2 LYS A 58 1.080 -16.385 -4.668 1.00 63.30 H new ATOM 0 HD3 LYS A 58 2.546 -15.443 -4.855 1.00 63.30 H new ATOM 0 HE2 LYS A 58 2.292 -14.471 -2.640 1.00 30.00 H new ATOM 0 HE3 LYS A 58 0.694 -15.167 -2.459 1.00 30.00 H new ATOM 0 HZ1 LYS A 58 2.353 -16.458 -1.271 1.00 72.30 H new ATOM 0 HZ2 LYS A 58 1.685 -17.388 -2.525 1.00 72.30 H new ATOM 0 HZ3 LYS A 58 3.233 -16.713 -2.700 1.00 72.30 H new ATOM 776 N GLN A 59 2.212 -11.279 -8.051 1.00 4.43 N ATOM 777 CA GLN A 59 3.144 -10.402 -8.752 1.00 65.20 C ATOM 778 C GLN A 59 2.525 -9.028 -8.988 1.00 33.40 C ATOM 779 O GLN A 59 3.225 -8.015 -9.003 1.00 54.20 O ATOM 780 CB GLN A 59 3.558 -11.024 -10.087 1.00 55.10 C ATOM 781 CG GLN A 59 4.881 -10.498 -10.619 1.00 11.10 C ATOM 782 CD GLN A 59 4.946 -10.511 -12.133 1.00 75.30 C ATOM 783 OE1 GLN A 59 5.322 -11.506 -12.742 1.00 40.40 O ATOM 784 NE2 GLN A 59 4.572 -9.395 -12.747 1.00 31.10 N ATOM 0 H GLN A 59 1.874 -12.065 -8.607 1.00 4.43 H new ATOM 0 HA GLN A 59 4.029 -10.280 -8.127 1.00 65.20 H new ATOM 0 HB2 GLN A 59 3.628 -12.105 -9.968 1.00 55.10 H new ATOM 0 HB3 GLN A 59 2.778 -10.834 -10.824 1.00 55.10 H new ATOM 0 HG2 GLN A 59 5.033 -9.480 -10.261 1.00 11.10 H new ATOM 0 HG3 GLN A 59 5.695 -11.102 -10.219 1.00 11.10 H new ATOM 0 HE21 GLN A 59 4.266 -8.590 -12.200 1.00 31.10 H new ATOM 0 HE22 GLN A 59 4.591 -9.342 -13.765 1.00 31.10 H new ATOM 793 N SER A 60 1.209 -9.002 -9.174 1.00 65.20 N ATOM 794 CA SER A 60 0.496 -7.752 -9.410 1.00 10.10 C ATOM 795 C SER A 60 0.354 -6.952 -8.118 1.00 1.43 C ATOM 796 O SER A 60 0.751 -5.789 -8.050 1.00 4.42 O ATOM 797 CB SER A 60 -0.886 -8.034 -10.003 1.00 3.54 C ATOM 798 OG SER A 60 -0.801 -8.295 -11.393 1.00 30.50 O ATOM 0 H SER A 60 0.615 -9.831 -9.166 1.00 65.20 H new ATOM 0 HA SER A 60 1.076 -7.161 -10.119 1.00 10.10 H new ATOM 0 HB2 SER A 60 -1.335 -8.888 -9.496 1.00 3.54 H new ATOM 0 HB3 SER A 60 -1.541 -7.180 -9.830 1.00 3.54 H new ATOM 0 HG SER A 60 -1.697 -8.474 -11.748 1.00 30.50 H new ATOM 804 N ILE A 61 -0.214 -7.584 -7.097 1.00 72.40 N ATOM 805 CA ILE A 61 -0.408 -6.932 -5.808 1.00 63.30 C ATOM 806 C ILE A 61 0.921 -6.477 -5.215 1.00 40.30 C ATOM 807 O ILE A 61 1.013 -5.401 -4.624 1.00 73.20 O ATOM 808 CB ILE A 61 -1.112 -7.866 -4.803 1.00 24.30 C ATOM 809 CG1 ILE A 61 -0.346 -9.184 -4.675 1.00 23.40 C ATOM 810 CG2 ILE A 61 -2.548 -8.121 -5.236 1.00 4.13 C ATOM 811 CD1 ILE A 61 0.593 -9.224 -3.488 1.00 62.00 C ATOM 0 H ILE A 61 -0.548 -8.547 -7.137 1.00 72.40 H new ATOM 0 HA ILE A 61 -1.040 -6.062 -5.988 1.00 63.30 H new ATOM 0 HB ILE A 61 -1.127 -7.381 -3.827 1.00 24.30 H new ATOM 0 HG12 ILE A 61 -1.060 -10.003 -4.591 1.00 23.40 H new ATOM 0 HG13 ILE A 61 0.227 -9.352 -5.587 1.00 23.40 H new ATOM 0 HG21 ILE A 61 -3.033 -8.782 -4.517 1.00 4.13 H new ATOM 0 HG22 ILE A 61 -3.088 -7.175 -5.281 1.00 4.13 H new ATOM 0 HG23 ILE A 61 -2.554 -8.589 -6.220 1.00 4.13 H new ATOM 0 HD11 ILE A 61 1.102 -10.187 -3.459 1.00 62.00 H new ATOM 0 HD12 ILE A 61 1.330 -8.426 -3.580 1.00 62.00 H new ATOM 0 HD13 ILE A 61 0.023 -9.087 -2.569 1.00 62.00 H new ATOM 823 N ARG A 62 1.950 -7.304 -5.375 1.00 43.10 N ATOM 824 CA ARG A 62 3.274 -6.986 -4.856 1.00 53.20 C ATOM 825 C ARG A 62 3.829 -5.728 -5.517 1.00 43.20 C ATOM 826 O ARG A 62 4.291 -4.811 -4.838 1.00 62.10 O ATOM 827 CB ARG A 62 4.229 -8.159 -5.081 1.00 62.40 C ATOM 828 CG ARG A 62 4.182 -9.202 -3.977 1.00 50.30 C ATOM 829 CD ARG A 62 5.552 -9.800 -3.719 1.00 52.10 C ATOM 830 NE ARG A 62 5.718 -11.083 -4.391 1.00 1.43 N ATOM 831 CZ ARG A 62 6.901 -11.648 -4.628 1.00 53.40 C ATOM 832 NH1 ARG A 62 8.022 -11.045 -4.252 1.00 74.40 N ATOM 833 NH2 ARG A 62 6.967 -12.825 -5.242 1.00 51.20 N ATOM 0 H ARG A 62 1.891 -8.199 -5.860 1.00 43.10 H new ATOM 0 HA ARG A 62 3.183 -6.802 -3.785 1.00 53.20 H new ATOM 0 HB2 ARG A 62 3.988 -8.636 -6.031 1.00 62.40 H new ATOM 0 HB3 ARG A 62 5.246 -7.777 -5.166 1.00 62.40 H new ATOM 0 HG2 ARG A 62 3.804 -8.747 -3.061 1.00 50.30 H new ATOM 0 HG3 ARG A 62 3.484 -9.993 -4.252 1.00 50.30 H new ATOM 0 HD2 ARG A 62 6.321 -9.108 -4.062 1.00 52.10 H new ATOM 0 HD3 ARG A 62 5.696 -9.930 -2.646 1.00 52.10 H new ATOM 0 HE ARG A 62 4.880 -11.577 -4.698 1.00 1.43 H new ATOM 0 HH11 ARG A 62 7.982 -10.143 -3.778 1.00 74.40 H new ATOM 0 HH12 ARG A 62 8.924 -11.484 -4.437 1.00 74.40 H new ATOM 0 HH21 ARG A 62 6.111 -13.297 -5.533 1.00 51.20 H new ATOM 0 HH22 ARG A 62 7.874 -13.256 -5.423 1.00 51.20 H new ATOM 847 N ALA A 63 3.780 -5.692 -6.844 1.00 14.30 N ATOM 848 CA ALA A 63 4.277 -4.547 -7.596 1.00 51.20 C ATOM 849 C ALA A 63 3.532 -3.274 -7.211 1.00 50.20 C ATOM 850 O ALA A 63 4.097 -2.179 -7.240 1.00 41.30 O ATOM 851 CB ALA A 63 4.151 -4.803 -9.091 1.00 14.20 C ATOM 0 H ALA A 63 3.401 -6.443 -7.421 1.00 14.30 H new ATOM 0 HA ALA A 63 5.330 -4.410 -7.349 1.00 51.20 H new ATOM 0 HB1 ALA A 63 4.526 -3.940 -9.641 1.00 14.20 H new ATOM 0 HB2 ALA A 63 4.733 -5.685 -9.359 1.00 14.20 H new ATOM 0 HB3 ALA A 63 3.104 -4.968 -9.345 1.00 14.20 H new ATOM 857 N LYS A 64 2.263 -3.423 -6.849 1.00 13.00 N ATOM 858 CA LYS A 64 1.440 -2.285 -6.456 1.00 13.50 C ATOM 859 C LYS A 64 1.698 -1.904 -5.002 1.00 60.10 C ATOM 860 O LYS A 64 1.631 -0.730 -4.637 1.00 71.40 O ATOM 861 CB LYS A 64 -0.042 -2.608 -6.656 1.00 54.20 C ATOM 862 CG LYS A 64 -0.563 -2.240 -8.036 1.00 44.00 C ATOM 863 CD LYS A 64 -1.580 -3.253 -8.536 1.00 41.40 C ATOM 864 CE LYS A 64 -2.065 -2.913 -9.936 1.00 43.20 C ATOM 865 NZ LYS A 64 -1.278 -3.621 -10.983 1.00 74.20 N ATOM 0 H LYS A 64 1.781 -4.322 -6.819 1.00 13.00 H new ATOM 0 HA LYS A 64 1.709 -1.438 -7.088 1.00 13.50 H new ATOM 0 HB2 LYS A 64 -0.199 -3.674 -6.490 1.00 54.20 H new ATOM 0 HB3 LYS A 64 -0.626 -2.078 -5.903 1.00 54.20 H new ATOM 0 HG2 LYS A 64 -1.020 -1.251 -8.002 1.00 44.00 H new ATOM 0 HG3 LYS A 64 0.270 -2.182 -8.737 1.00 44.00 H new ATOM 0 HD2 LYS A 64 -1.134 -4.248 -8.536 1.00 41.40 H new ATOM 0 HD3 LYS A 64 -2.429 -3.284 -7.853 1.00 41.40 H new ATOM 0 HE2 LYS A 64 -3.118 -3.180 -10.030 1.00 43.20 H new ATOM 0 HE3 LYS A 64 -1.994 -1.837 -10.094 1.00 43.20 H new ATOM 0 HZ1 LYS A 64 -1.640 -3.363 -11.923 1.00 74.20 H new ATOM 0 HZ2 LYS A 64 -0.277 -3.347 -10.910 1.00 74.20 H new ATOM 0 HZ3 LYS A 64 -1.367 -4.648 -10.848 1.00 74.20 H new ATOM 879 N CYS A 65 1.993 -2.903 -4.178 1.00 61.40 N ATOM 880 CA CYS A 65 2.262 -2.672 -2.763 1.00 21.30 C ATOM 881 C CYS A 65 3.544 -1.868 -2.576 1.00 61.40 C ATOM 882 O CYS A 65 3.638 -1.028 -1.681 1.00 22.20 O ATOM 883 CB CYS A 65 2.369 -4.004 -2.018 1.00 1.23 C ATOM 884 SG CYS A 65 0.784 -4.836 -1.762 1.00 53.10 S ATOM 0 H CYS A 65 2.052 -3.880 -4.465 1.00 61.40 H new ATOM 0 HA CYS A 65 1.432 -2.098 -2.351 1.00 21.30 H new ATOM 0 HB2 CYS A 65 3.030 -4.668 -2.576 1.00 1.23 H new ATOM 0 HB3 CYS A 65 2.836 -3.829 -1.049 1.00 1.23 H new ATOM 0 HG CYS A 65 0.371 -5.339 -2.887 1.00 53.10 H new ATOM 890 N THR A 66 4.529 -2.129 -3.430 1.00 45.40 N ATOM 891 CA THR A 66 5.806 -1.430 -3.360 1.00 1.11 C ATOM 892 C THR A 66 5.683 -0.014 -3.913 1.00 32.10 C ATOM 893 O THR A 66 6.225 0.934 -3.347 1.00 53.10 O ATOM 894 CB THR A 66 6.877 -2.201 -4.134 1.00 23.20 C ATOM 895 OG1 THR A 66 6.634 -3.595 -4.073 1.00 24.50 O ATOM 896 CG2 THR A 66 8.279 -1.956 -3.621 1.00 25.10 C ATOM 0 H THR A 66 4.467 -2.819 -4.178 1.00 45.40 H new ATOM 0 HA THR A 66 6.100 -1.367 -2.312 1.00 1.11 H new ATOM 0 HB THR A 66 6.813 -1.834 -5.158 1.00 23.20 H new ATOM 0 HG1 THR A 66 7.328 -4.070 -4.575 1.00 24.50 H new ATOM 0 HG21 THR A 66 8.989 -2.533 -4.214 1.00 25.10 H new ATOM 0 HG22 THR A 66 8.516 -0.895 -3.702 1.00 25.10 H new ATOM 0 HG23 THR A 66 8.343 -2.264 -2.577 1.00 25.10 H new ATOM 904 N GLU A 67 4.964 0.121 -5.024 1.00 65.00 N ATOM 905 CA GLU A 67 4.769 1.421 -5.654 1.00 31.20 C ATOM 906 C GLU A 67 4.070 2.388 -4.704 1.00 63.40 C ATOM 907 O GLU A 67 4.439 3.558 -4.610 1.00 13.50 O ATOM 908 CB GLU A 67 3.952 1.271 -6.939 1.00 34.40 C ATOM 909 CG GLU A 67 4.118 2.433 -7.905 1.00 2.34 C ATOM 910 CD GLU A 67 3.842 2.040 -9.343 1.00 22.20 C ATOM 911 OE1 GLU A 67 4.254 0.931 -9.745 1.00 21.30 O ATOM 912 OE2 GLU A 67 3.214 2.839 -10.067 1.00 40.10 O ATOM 0 H GLU A 67 4.508 -0.654 -5.505 1.00 65.00 H new ATOM 0 HA GLU A 67 5.750 1.828 -5.900 1.00 31.20 H new ATOM 0 HB2 GLU A 67 4.245 0.348 -7.440 1.00 34.40 H new ATOM 0 HB3 GLU A 67 2.898 1.173 -6.680 1.00 34.40 H new ATOM 0 HG2 GLU A 67 3.444 3.239 -7.617 1.00 2.34 H new ATOM 0 HG3 GLU A 67 5.133 2.823 -7.827 1.00 2.34 H new ATOM 919 N TYR A 68 3.058 1.888 -4.000 1.00 44.20 N ATOM 920 CA TYR A 68 2.307 2.708 -3.056 1.00 40.10 C ATOM 921 C TYR A 68 3.157 3.051 -1.837 1.00 64.30 C ATOM 922 O TYR A 68 3.117 4.176 -1.338 1.00 70.40 O ATOM 923 CB TYR A 68 1.036 1.979 -2.616 1.00 11.30 C ATOM 924 CG TYR A 68 0.013 1.826 -3.719 1.00 71.40 C ATOM 925 CD1 TYR A 68 -0.272 2.879 -4.579 1.00 43.10 C ATOM 926 CD2 TYR A 68 -0.669 0.629 -3.899 1.00 71.50 C ATOM 927 CE1 TYR A 68 -1.207 2.743 -5.588 1.00 42.10 C ATOM 928 CE2 TYR A 68 -1.605 0.485 -4.905 1.00 60.20 C ATOM 929 CZ TYR A 68 -1.870 1.544 -5.747 1.00 35.10 C ATOM 930 OH TYR A 68 -2.802 1.405 -6.750 1.00 11.10 O ATOM 0 H TYR A 68 2.740 0.921 -4.066 1.00 44.20 H new ATOM 0 HA TYR A 68 2.032 3.636 -3.557 1.00 40.10 H new ATOM 0 HB2 TYR A 68 1.305 0.991 -2.242 1.00 11.30 H new ATOM 0 HB3 TYR A 68 0.584 2.522 -1.786 1.00 11.30 H new ATOM 0 HD1 TYR A 68 0.245 3.819 -4.457 1.00 43.10 H new ATOM 0 HD2 TYR A 68 -0.464 -0.203 -3.241 1.00 71.50 H new ATOM 0 HE1 TYR A 68 -1.417 3.571 -6.248 1.00 42.10 H new ATOM 0 HE2 TYR A 68 -2.126 -0.452 -5.031 1.00 60.20 H new ATOM 0 HH TYR A 68 -3.176 0.499 -6.726 1.00 11.10 H new ATOM 940 N LEU A 69 3.927 2.076 -1.365 1.00 45.20 N ATOM 941 CA LEU A 69 4.788 2.277 -0.205 1.00 33.10 C ATOM 942 C LEU A 69 5.804 3.383 -0.466 1.00 61.00 C ATOM 943 O LEU A 69 6.080 4.206 0.408 1.00 41.30 O ATOM 944 CB LEU A 69 5.511 0.976 0.151 1.00 40.20 C ATOM 945 CG LEU A 69 4.631 -0.101 0.788 1.00 22.50 C ATOM 946 CD1 LEU A 69 5.207 -1.484 0.526 1.00 22.10 C ATOM 947 CD2 LEU A 69 4.488 0.145 2.282 1.00 63.40 C ATOM 0 H LEU A 69 3.972 1.140 -1.767 1.00 45.20 H new ATOM 0 HA LEU A 69 4.161 2.577 0.634 1.00 33.10 H new ATOM 0 HB2 LEU A 69 5.960 0.568 -0.755 1.00 40.20 H new ATOM 0 HB3 LEU A 69 6.328 1.208 0.835 1.00 40.20 H new ATOM 0 HG LEU A 69 3.641 -0.051 0.335 1.00 22.50 H new ATOM 0 HD11 LEU A 69 4.568 -2.237 0.986 1.00 22.10 H new ATOM 0 HD12 LEU A 69 5.258 -1.659 -0.549 1.00 22.10 H new ATOM 0 HD13 LEU A 69 6.208 -1.548 0.952 1.00 22.10 H new ATOM 0 HD21 LEU A 69 3.859 -0.630 2.720 1.00 63.40 H new ATOM 0 HD22 LEU A 69 5.472 0.121 2.750 1.00 63.40 H new ATOM 0 HD23 LEU A 69 4.030 1.120 2.448 1.00 63.40 H new ATOM 959 N ASP A 70 6.359 3.396 -1.673 1.00 32.40 N ATOM 960 CA ASP A 70 7.346 4.402 -2.050 1.00 2.33 C ATOM 961 C ASP A 70 6.743 5.802 -2.001 1.00 74.10 C ATOM 962 O ASP A 70 7.352 6.733 -1.477 1.00 4.33 O ATOM 963 CB ASP A 70 7.887 4.116 -3.452 1.00 75.00 C ATOM 964 CG ASP A 70 9.064 3.160 -3.433 1.00 75.30 C ATOM 965 OD1 ASP A 70 8.855 1.968 -3.127 1.00 60.00 O ATOM 966 OD2 ASP A 70 10.194 3.604 -3.725 1.00 61.30 O ATOM 0 H ASP A 70 6.143 2.722 -2.407 1.00 32.40 H new ATOM 0 HA ASP A 70 8.167 4.355 -1.335 1.00 2.33 H new ATOM 0 HB2 ASP A 70 7.091 3.696 -4.067 1.00 75.00 H new ATOM 0 HB3 ASP A 70 8.191 5.053 -3.920 1.00 75.00 H new ATOM 971 N ARG A 71 5.540 5.942 -2.551 1.00 45.50 N ATOM 972 CA ARG A 71 4.854 7.228 -2.570 1.00 61.30 C ATOM 973 C ARG A 71 4.461 7.657 -1.160 1.00 41.10 C ATOM 974 O ARG A 71 4.528 8.836 -0.818 1.00 23.30 O ATOM 975 CB ARG A 71 3.610 7.153 -3.459 1.00 74.40 C ATOM 976 CG ARG A 71 3.328 8.439 -4.219 1.00 52.10 C ATOM 977 CD ARG A 71 3.194 9.625 -3.277 1.00 4.23 C ATOM 978 NE ARG A 71 2.771 10.835 -3.978 1.00 71.20 N ATOM 979 CZ ARG A 71 3.560 11.534 -4.792 1.00 21.00 C ATOM 980 NH1 ARG A 71 4.811 11.146 -5.009 1.00 23.00 N ATOM 981 NH2 ARG A 71 3.097 12.624 -5.389 1.00 54.30 N ATOM 0 H ARG A 71 5.021 5.181 -2.989 1.00 45.50 H new ATOM 0 HA ARG A 71 5.539 7.971 -2.978 1.00 61.30 H new ATOM 0 HB2 ARG A 71 3.732 6.338 -4.173 1.00 74.40 H new ATOM 0 HB3 ARG A 71 2.746 6.909 -2.841 1.00 74.40 H new ATOM 0 HG2 ARG A 71 4.133 8.627 -4.930 1.00 52.10 H new ATOM 0 HG3 ARG A 71 2.411 8.327 -4.798 1.00 52.10 H new ATOM 0 HD2 ARG A 71 2.472 9.388 -2.495 1.00 4.23 H new ATOM 0 HD3 ARG A 71 4.149 9.807 -2.784 1.00 4.23 H new ATOM 0 HE ARG A 71 1.816 11.164 -3.836 1.00 71.20 H new ATOM 0 HH11 ARG A 71 5.172 10.309 -4.551 1.00 23.00 H new ATOM 0 HH12 ARG A 71 5.411 11.685 -5.633 1.00 23.00 H new ATOM 0 HH21 ARG A 71 2.137 12.927 -5.225 1.00 54.30 H new ATOM 0 HH22 ARG A 71 3.701 13.160 -6.012 1.00 54.30 H new ATOM 995 N ALA A 72 4.051 6.689 -0.346 1.00 74.10 N ATOM 996 CA ALA A 72 3.647 6.965 1.026 1.00 34.10 C ATOM 997 C ALA A 72 4.791 7.587 1.820 1.00 24.10 C ATOM 998 O ALA A 72 4.591 8.543 2.570 1.00 73.10 O ATOM 999 CB ALA A 72 3.166 5.689 1.701 1.00 53.10 C ATOM 0 H ALA A 72 3.990 5.707 -0.614 1.00 74.10 H new ATOM 0 HA ALA A 72 2.826 7.681 1.000 1.00 34.10 H new ATOM 0 HB1 ALA A 72 2.867 5.910 2.726 1.00 53.10 H new ATOM 0 HB2 ALA A 72 2.314 5.287 1.153 1.00 53.10 H new ATOM 0 HB3 ALA A 72 3.972 4.955 1.708 1.00 53.10 H new ATOM 1005 N GLU A 73 5.989 7.038 1.650 1.00 12.30 N ATOM 1006 CA GLU A 73 7.165 7.539 2.351 1.00 42.10 C ATOM 1007 C GLU A 73 7.555 8.923 1.840 1.00 71.40 C ATOM 1008 O GLU A 73 7.941 9.797 2.616 1.00 13.40 O ATOM 1009 CB GLU A 73 8.338 6.572 2.181 1.00 74.40 C ATOM 1010 CG GLU A 73 9.530 6.898 3.066 1.00 30.10 C ATOM 1011 CD GLU A 73 10.651 5.887 2.930 1.00 4.21 C ATOM 1012 OE1 GLU A 73 10.417 4.697 3.229 1.00 14.20 O ATOM 1013 OE2 GLU A 73 11.762 6.284 2.522 1.00 33.30 O ATOM 0 H GLU A 73 6.171 6.246 1.033 1.00 12.30 H new ATOM 0 HA GLU A 73 6.919 7.618 3.410 1.00 42.10 H new ATOM 0 HB2 GLU A 73 7.998 5.560 2.402 1.00 74.40 H new ATOM 0 HB3 GLU A 73 8.657 6.581 1.139 1.00 74.40 H new ATOM 0 HG2 GLU A 73 9.906 7.889 2.812 1.00 30.10 H new ATOM 0 HG3 GLU A 73 9.206 6.938 4.106 1.00 30.10 H new ATOM 1020 N LYS A 74 7.451 9.115 0.528 1.00 34.50 N ATOM 1021 CA LYS A 74 7.792 10.391 -0.087 1.00 73.40 C ATOM 1022 C LYS A 74 6.925 11.515 0.472 1.00 53.30 C ATOM 1023 O LYS A 74 7.426 12.582 0.825 1.00 5.11 O ATOM 1024 CB LYS A 74 7.627 10.309 -1.605 1.00 41.20 C ATOM 1025 CG LYS A 74 8.743 10.995 -2.378 1.00 11.00 C ATOM 1026 CD LYS A 74 9.138 10.200 -3.611 1.00 45.10 C ATOM 1027 CE LYS A 74 10.400 9.387 -3.369 1.00 62.00 C ATOM 1028 NZ LYS A 74 10.125 8.157 -2.576 1.00 32.20 N ATOM 0 H LYS A 74 7.133 8.402 -0.129 1.00 34.50 H new ATOM 0 HA LYS A 74 8.834 10.611 0.147 1.00 73.40 H new ATOM 0 HB2 LYS A 74 7.583 9.261 -1.901 1.00 41.20 H new ATOM 0 HB3 LYS A 74 6.674 10.759 -1.883 1.00 41.20 H new ATOM 0 HG2 LYS A 74 8.421 11.993 -2.675 1.00 11.00 H new ATOM 0 HG3 LYS A 74 9.611 11.120 -1.731 1.00 11.00 H new ATOM 0 HD2 LYS A 74 8.323 9.533 -3.892 1.00 45.10 H new ATOM 0 HD3 LYS A 74 9.297 10.880 -4.448 1.00 45.10 H new ATOM 0 HE2 LYS A 74 10.843 9.111 -4.326 1.00 62.00 H new ATOM 0 HE3 LYS A 74 11.132 10.001 -2.845 1.00 62.00 H new ATOM 0 HZ1 LYS A 74 11.011 7.631 -2.433 1.00 32.20 H new ATOM 0 HZ2 LYS A 74 9.726 8.421 -1.653 1.00 32.20 H new ATOM 0 HZ3 LYS A 74 9.446 7.559 -3.088 1.00 32.20 H new ATOM 1042 N LEU A 75 5.622 11.266 0.551 1.00 72.20 N ATOM 1043 CA LEU A 75 4.685 12.257 1.066 1.00 74.10 C ATOM 1044 C LEU A 75 5.021 12.626 2.508 1.00 53.40 C ATOM 1045 O LEU A 75 4.993 13.798 2.882 1.00 64.30 O ATOM 1046 CB LEU A 75 3.252 11.725 0.986 1.00 24.20 C ATOM 1047 CG LEU A 75 2.738 11.460 -0.430 1.00 24.30 C ATOM 1048 CD1 LEU A 75 1.369 10.800 -0.387 1.00 12.00 C ATOM 1049 CD2 LEU A 75 2.682 12.756 -1.227 1.00 60.10 C ATOM 0 H LEU A 75 5.191 10.387 0.265 1.00 72.20 H new ATOM 0 HA LEU A 75 4.769 13.153 0.451 1.00 74.10 H new ATOM 0 HB2 LEU A 75 3.192 10.799 1.557 1.00 24.20 H new ATOM 0 HB3 LEU A 75 2.587 12.441 1.469 1.00 24.20 H new ATOM 0 HG LEU A 75 3.430 10.780 -0.926 1.00 24.30 H new ATOM 0 HD11 LEU A 75 1.020 10.619 -1.404 1.00 12.00 H new ATOM 0 HD12 LEU A 75 1.439 9.852 0.146 1.00 12.00 H new ATOM 0 HD13 LEU A 75 0.665 11.455 0.127 1.00 12.00 H new ATOM 0 HD21 LEU A 75 2.314 12.549 -2.232 1.00 60.10 H new ATOM 0 HD22 LEU A 75 2.011 13.459 -0.732 1.00 60.10 H new ATOM 0 HD23 LEU A 75 3.680 13.189 -1.288 1.00 60.10 H new ATOM 1061 N LYS A 76 5.341 11.618 3.312 1.00 31.20 N ATOM 1062 CA LYS A 76 5.685 11.836 4.712 1.00 50.20 C ATOM 1063 C LYS A 76 6.901 12.748 4.838 1.00 1.10 C ATOM 1064 O LYS A 76 6.980 13.572 5.750 1.00 43.30 O ATOM 1065 CB LYS A 76 5.960 10.500 5.406 1.00 42.30 C ATOM 1066 CG LYS A 76 5.498 10.461 6.854 1.00 4.40 C ATOM 1067 CD LYS A 76 5.010 9.075 7.244 1.00 24.20 C ATOM 1068 CE LYS A 76 6.168 8.103 7.406 1.00 43.30 C ATOM 1069 NZ LYS A 76 7.061 8.485 8.535 1.00 22.40 N ATOM 0 H LYS A 76 5.369 10.642 3.018 1.00 31.20 H new ATOM 0 HA LYS A 76 4.838 12.321 5.197 1.00 50.20 H new ATOM 0 HB2 LYS A 76 5.462 9.703 4.853 1.00 42.30 H new ATOM 0 HB3 LYS A 76 7.030 10.294 5.369 1.00 42.30 H new ATOM 0 HG2 LYS A 76 6.319 10.756 7.507 1.00 4.40 H new ATOM 0 HG3 LYS A 76 4.697 11.185 7.001 1.00 4.40 H new ATOM 0 HD2 LYS A 76 4.450 9.134 8.177 1.00 24.20 H new ATOM 0 HD3 LYS A 76 4.324 8.702 6.484 1.00 24.20 H new ATOM 0 HE2 LYS A 76 5.778 7.099 7.575 1.00 43.30 H new ATOM 0 HE3 LYS A 76 6.745 8.069 6.482 1.00 43.30 H new ATOM 0 HZ1 LYS A 76 7.630 7.663 8.821 1.00 22.40 H new ATOM 0 HZ2 LYS A 76 7.692 9.255 8.234 1.00 22.40 H new ATOM 0 HZ3 LYS A 76 6.485 8.804 9.340 1.00 22.40 H new ATOM 1083 N GLU A 77 7.845 12.598 3.914 1.00 3.22 N ATOM 1084 CA GLU A 77 9.055 13.410 3.920 1.00 11.50 C ATOM 1085 C GLU A 77 8.759 14.822 3.428 1.00 12.10 C ATOM 1086 O GLU A 77 9.050 15.803 4.112 1.00 4.21 O ATOM 1087 CB GLU A 77 10.131 12.766 3.043 1.00 42.20 C ATOM 1088 CG GLU A 77 11.541 12.941 3.582 1.00 63.10 C ATOM 1089 CD GLU A 77 12.589 12.301 2.693 1.00 50.10 C ATOM 1090 OE1 GLU A 77 12.634 11.054 2.632 1.00 21.10 O ATOM 1091 OE2 GLU A 77 13.365 13.046 2.059 1.00 13.40 O ATOM 0 H GLU A 77 7.795 11.922 3.152 1.00 3.22 H new ATOM 0 HA GLU A 77 9.421 13.469 4.945 1.00 11.50 H new ATOM 0 HB2 GLU A 77 9.918 11.702 2.944 1.00 42.20 H new ATOM 0 HB3 GLU A 77 10.078 13.196 2.043 1.00 42.20 H new ATOM 0 HG2 GLU A 77 11.757 14.004 3.685 1.00 63.10 H new ATOM 0 HG3 GLU A 77 11.601 12.506 4.580 1.00 63.10 H new ATOM 1098 N TYR A 78 8.175 14.913 2.239 1.00 15.10 N ATOM 1099 CA TYR A 78 7.831 16.202 1.651 1.00 30.10 C ATOM 1100 C TYR A 78 6.854 16.959 2.549 1.00 34.40 C ATOM 1101 O TYR A 78 6.870 18.189 2.603 1.00 42.40 O ATOM 1102 CB TYR A 78 7.237 15.995 0.250 1.00 34.40 C ATOM 1103 CG TYR A 78 6.187 17.012 -0.144 1.00 65.30 C ATOM 1104 CD1 TYR A 78 4.877 16.889 0.297 1.00 41.10 C ATOM 1105 CD2 TYR A 78 6.508 18.094 -0.956 1.00 24.10 C ATOM 1106 CE1 TYR A 78 3.914 17.814 -0.058 1.00 62.10 C ATOM 1107 CE2 TYR A 78 5.552 19.023 -1.315 1.00 63.20 C ATOM 1108 CZ TYR A 78 4.256 18.879 -0.864 1.00 43.30 C ATOM 1109 OH TYR A 78 3.301 19.802 -1.221 1.00 50.30 O ATOM 0 H TYR A 78 7.929 14.108 1.662 1.00 15.10 H new ATOM 0 HA TYR A 78 8.737 16.802 1.561 1.00 30.10 H new ATOM 0 HB2 TYR A 78 8.045 16.024 -0.481 1.00 34.40 H new ATOM 0 HB3 TYR A 78 6.797 14.999 0.199 1.00 34.40 H new ATOM 0 HD1 TYR A 78 4.606 16.056 0.929 1.00 41.10 H new ATOM 0 HD2 TYR A 78 7.521 18.210 -1.312 1.00 24.10 H new ATOM 0 HE1 TYR A 78 2.899 17.703 0.294 1.00 62.10 H new ATOM 0 HE2 TYR A 78 5.817 19.858 -1.946 1.00 63.20 H new ATOM 0 HH TYR A 78 3.707 20.489 -1.790 1.00 50.30 H new ATOM 1119 N LEU A 79 6.004 16.215 3.251 1.00 45.50 N ATOM 1120 CA LEU A 79 5.022 16.816 4.145 1.00 2.54 C ATOM 1121 C LEU A 79 5.707 17.553 5.291 1.00 12.20 C ATOM 1122 O LEU A 79 5.386 18.706 5.579 1.00 24.10 O ATOM 1123 CB LEU A 79 4.086 15.741 4.703 1.00 64.20 C ATOM 1124 CG LEU A 79 2.877 15.416 3.823 1.00 35.40 C ATOM 1125 CD1 LEU A 79 2.308 14.053 4.183 1.00 23.20 C ATOM 1126 CD2 LEU A 79 1.813 16.495 3.963 1.00 24.10 C ATOM 0 H LEU A 79 5.976 15.196 3.217 1.00 45.50 H new ATOM 0 HA LEU A 79 4.439 17.536 3.571 1.00 2.54 H new ATOM 0 HB2 LEU A 79 4.659 14.827 4.859 1.00 64.20 H new ATOM 0 HB3 LEU A 79 3.728 16.064 5.681 1.00 64.20 H new ATOM 0 HG LEU A 79 3.203 15.387 2.783 1.00 35.40 H new ATOM 0 HD11 LEU A 79 1.449 13.838 3.548 1.00 23.20 H new ATOM 0 HD12 LEU A 79 3.071 13.289 4.033 1.00 23.20 H new ATOM 0 HD13 LEU A 79 1.996 14.053 5.227 1.00 23.20 H new ATOM 0 HD21 LEU A 79 0.960 16.249 3.331 1.00 24.10 H new ATOM 0 HD22 LEU A 79 1.489 16.554 5.002 1.00 24.10 H new ATOM 0 HD23 LEU A 79 2.227 17.456 3.656 1.00 24.10 H new ATOM 1138 N LYS A 80 6.653 16.882 5.939 1.00 31.10 N ATOM 1139 CA LYS A 80 7.383 17.474 7.053 1.00 3.04 C ATOM 1140 C LYS A 80 8.458 18.433 6.550 1.00 2.42 C ATOM 1141 O LYS A 80 8.590 19.550 7.051 1.00 24.40 O ATOM 1142 CB LYS A 80 8.022 16.379 7.910 1.00 31.10 C ATOM 1143 CG LYS A 80 9.047 15.542 7.165 1.00 52.10 C ATOM 1144 CD LYS A 80 9.551 14.389 8.018 1.00 2.53 C ATOM 1145 CE LYS A 80 10.616 13.584 7.291 1.00 31.20 C ATOM 1146 NZ LYS A 80 11.637 13.040 8.229 1.00 62.10 N ATOM 0 H LYS A 80 6.932 15.928 5.712 1.00 31.10 H new ATOM 0 HA LYS A 80 6.675 18.036 7.662 1.00 3.04 H new ATOM 0 HB2 LYS A 80 8.501 16.839 8.774 1.00 31.10 H new ATOM 0 HB3 LYS A 80 7.238 15.724 8.291 1.00 31.10 H new ATOM 0 HG2 LYS A 80 8.603 15.152 6.249 1.00 52.10 H new ATOM 0 HG3 LYS A 80 9.886 16.171 6.869 1.00 52.10 H new ATOM 0 HD2 LYS A 80 9.960 14.777 8.951 1.00 2.53 H new ATOM 0 HD3 LYS A 80 8.717 13.738 8.281 1.00 2.53 H new ATOM 0 HE2 LYS A 80 10.145 12.763 6.751 1.00 31.20 H new ATOM 0 HE3 LYS A 80 11.105 14.215 6.549 1.00 31.20 H new ATOM 0 HZ1 LYS A 80 12.345 12.498 7.695 1.00 62.10 H new ATOM 0 HZ2 LYS A 80 12.105 13.825 8.726 1.00 62.10 H new ATOM 0 HZ3 LYS A 80 11.175 12.417 8.922 1.00 62.10 H new ATOM 1160 N ASN A 81 9.223 17.990 5.559 1.00 61.10 N ATOM 1161 CA ASN A 81 10.286 18.809 4.988 1.00 44.10 C ATOM 1162 C ASN A 81 9.720 20.085 4.374 1.00 42.10 C ATOM 1163 O ASN A 81 8.507 20.298 4.371 1.00 14.30 O ATOM 1164 CB ASN A 81 11.057 18.017 3.930 1.00 52.10 C ATOM 1165 CG ASN A 81 12.526 18.384 3.890 1.00 32.30 C ATOM 1166 OD1 ASN A 81 12.884 19.547 3.701 1.00 21.40 O ATOM 1167 ND2 ASN A 81 13.390 17.391 4.067 1.00 34.00 N ATOM 0 H ASN A 81 9.127 17.068 5.134 1.00 61.10 H new ATOM 0 HA ASN A 81 10.968 19.086 5.792 1.00 44.10 H new ATOM 0 HB2 ASN A 81 10.957 16.951 4.134 1.00 52.10 H new ATOM 0 HB3 ASN A 81 10.614 18.197 2.951 1.00 52.10 H new ATOM 0 HD21 ASN A 81 14.393 17.578 4.049 1.00 34.00 H new ATOM 0 HD22 ASN A 81 13.051 16.441 4.221 1.00 34.00 H new TER 1174 ASN A 81 ATOM 1175 N ASP B 116 8.984 -10.738 -1.745 1.00 53.40 N ATOM 1176 CA ASP B 116 7.812 -10.434 -0.932 1.00 24.30 C ATOM 1177 C ASP B 116 8.225 -9.908 0.438 1.00 52.30 C ATOM 1178 O ASP B 116 7.519 -9.096 1.037 1.00 23.50 O ATOM 1179 CB ASP B 116 6.943 -11.684 -0.767 1.00 11.50 C ATOM 1180 CG ASP B 116 7.683 -12.817 -0.071 1.00 43.20 C ATOM 1181 OD1 ASP B 116 8.094 -12.634 1.094 1.00 33.00 O ATOM 1182 OD2 ASP B 116 7.850 -13.890 -0.692 1.00 42.20 O ATOM 0 HA ASP B 116 7.236 -9.662 -1.442 1.00 24.30 H new ATOM 0 HB2 ASP B 116 6.051 -11.430 -0.194 1.00 11.50 H new ATOM 0 HB3 ASP B 116 6.607 -12.021 -1.747 1.00 11.50 H new ATOM 1187 N GLU B 117 9.371 -10.368 0.927 1.00 13.20 N ATOM 1188 CA GLU B 117 9.878 -9.941 2.226 1.00 42.20 C ATOM 1189 C GLU B 117 10.107 -8.430 2.247 1.00 31.20 C ATOM 1190 O GLU B 117 9.963 -7.781 3.285 1.00 0.51 O ATOM 1191 CB GLU B 117 11.180 -10.671 2.559 1.00 22.10 C ATOM 1192 CG GLU B 117 11.068 -12.177 2.456 1.00 51.30 C ATOM 1193 CD GLU B 117 12.355 -12.888 2.848 1.00 11.30 C ATOM 1194 OE1 GLU B 117 12.744 -12.798 4.031 1.00 12.30 O ATOM 1195 OE2 GLU B 117 12.971 -13.525 1.970 1.00 23.40 O ATOM 0 H GLU B 117 9.968 -11.038 0.442 1.00 13.20 H new ATOM 0 HA GLU B 117 9.131 -10.191 2.980 1.00 42.20 H new ATOM 0 HB2 GLU B 117 11.964 -10.325 1.885 1.00 22.10 H new ATOM 0 HB3 GLU B 117 11.489 -10.405 3.570 1.00 22.10 H new ATOM 0 HG2 GLU B 117 10.257 -12.522 3.097 1.00 51.30 H new ATOM 0 HG3 GLU B 117 10.804 -12.449 1.434 1.00 51.30 H new ATOM 1202 N GLU B 118 10.460 -7.870 1.092 1.00 64.20 N ATOM 1203 CA GLU B 118 10.713 -6.445 0.981 1.00 55.40 C ATOM 1204 C GLU B 118 9.424 -5.652 1.167 1.00 72.40 C ATOM 1205 O GLU B 118 9.411 -4.618 1.833 1.00 63.20 O ATOM 1206 CB GLU B 118 11.331 -6.113 -0.381 1.00 72.40 C ATOM 1207 CG GLU B 118 12.146 -4.836 -0.386 1.00 43.10 C ATOM 1208 CD GLU B 118 13.609 -5.068 -0.068 1.00 24.10 C ATOM 1209 OE1 GLU B 118 13.917 -5.387 1.096 1.00 41.20 O ATOM 1210 OE2 GLU B 118 14.444 -4.924 -0.986 1.00 74.30 O ATOM 0 H GLU B 118 10.576 -8.387 0.221 1.00 64.20 H new ATOM 0 HA GLU B 118 11.415 -6.166 1.767 1.00 55.40 H new ATOM 0 HB2 GLU B 118 11.968 -6.941 -0.692 1.00 72.40 H new ATOM 0 HB3 GLU B 118 10.535 -6.028 -1.120 1.00 72.40 H new ATOM 0 HG2 GLU B 118 12.063 -4.362 -1.364 1.00 43.10 H new ATOM 0 HG3 GLU B 118 11.727 -4.141 0.342 1.00 43.10 H new ATOM 1217 N ILE B 119 8.342 -6.145 0.573 1.00 70.20 N ATOM 1218 CA ILE B 119 7.047 -5.483 0.674 1.00 52.20 C ATOM 1219 C ILE B 119 6.459 -5.634 2.073 1.00 63.30 C ATOM 1220 O ILE B 119 5.797 -4.729 2.580 1.00 3.40 O ATOM 1221 CB ILE B 119 6.047 -6.045 -0.354 1.00 43.10 C ATOM 1222 CG1 ILE B 119 6.676 -6.072 -1.748 1.00 42.20 C ATOM 1223 CG2 ILE B 119 4.769 -5.218 -0.359 1.00 22.20 C ATOM 1224 CD1 ILE B 119 5.751 -6.613 -2.818 1.00 42.50 C ATOM 0 H ILE B 119 8.337 -7.000 0.017 1.00 70.20 H new ATOM 0 HA ILE B 119 7.216 -4.426 0.466 1.00 52.20 H new ATOM 0 HB ILE B 119 5.794 -7.066 -0.070 1.00 43.10 H new ATOM 0 HG12 ILE B 119 6.981 -5.062 -2.020 1.00 42.20 H new ATOM 0 HG13 ILE B 119 7.580 -6.681 -1.718 1.00 42.20 H new ATOM 0 HG21 ILE B 119 4.073 -5.628 -1.091 1.00 22.20 H new ATOM 0 HG22 ILE B 119 4.313 -5.246 0.631 1.00 22.20 H new ATOM 0 HG23 ILE B 119 5.004 -4.186 -0.621 1.00 22.20 H new ATOM 0 HD11 ILE B 119 6.263 -6.603 -3.780 1.00 42.50 H new ATOM 0 HD12 ILE B 119 5.466 -7.635 -2.569 1.00 42.50 H new ATOM 0 HD13 ILE B 119 4.858 -5.991 -2.875 1.00 42.50 H new ATOM 1236 N GLU B 120 6.708 -6.783 2.693 1.00 0.01 N ATOM 1237 CA GLU B 120 6.203 -7.050 4.033 1.00 61.00 C ATOM 1238 C GLU B 120 6.895 -6.166 5.064 1.00 23.10 C ATOM 1239 O GLU B 120 6.242 -5.553 5.909 1.00 1.31 O ATOM 1240 CB GLU B 120 6.409 -8.524 4.392 1.00 24.30 C ATOM 1241 CG GLU B 120 5.425 -9.041 5.428 1.00 23.20 C ATOM 1242 CD GLU B 120 6.050 -10.030 6.382 1.00 65.10 C ATOM 1243 OE1 GLU B 120 6.890 -9.612 7.208 1.00 53.20 O ATOM 1244 OE2 GLU B 120 5.708 -11.235 6.307 1.00 41.10 O ATOM 0 H GLU B 120 7.256 -7.543 2.289 1.00 0.01 H new ATOM 0 HA GLU B 120 5.137 -6.823 4.043 1.00 61.00 H new ATOM 0 HB2 GLU B 120 6.321 -9.125 3.487 1.00 24.30 H new ATOM 0 HB3 GLU B 120 7.423 -8.660 4.767 1.00 24.30 H new ATOM 0 HG2 GLU B 120 5.024 -8.200 5.994 1.00 23.20 H new ATOM 0 HG3 GLU B 120 4.584 -9.514 4.920 1.00 23.20 H new ATOM 1251 N ARG B 121 8.219 -6.097 4.987 1.00 11.20 N ATOM 1252 CA ARG B 121 9.001 -5.289 5.913 1.00 11.50 C ATOM 1253 C ARG B 121 8.750 -3.802 5.677 1.00 0.40 C ATOM 1254 O ARG B 121 8.795 -2.999 6.609 1.00 13.30 O ATOM 1255 CB ARG B 121 10.488 -5.588 5.762 1.00 1.11 C ATOM 1256 CG ARG B 121 10.972 -6.709 6.668 1.00 53.20 C ATOM 1257 CD ARG B 121 10.638 -8.079 6.094 1.00 43.40 C ATOM 1258 NE ARG B 121 11.710 -8.595 5.242 1.00 33.30 N ATOM 1259 CZ ARG B 121 12.845 -9.109 5.706 1.00 34.40 C ATOM 1260 NH1 ARG B 121 13.060 -9.180 7.014 1.00 51.10 N ATOM 1261 NH2 ARG B 121 13.765 -9.551 4.862 1.00 3.41 N ATOM 0 H ARG B 121 8.774 -6.593 4.290 1.00 11.20 H new ATOM 0 HA ARG B 121 8.689 -5.543 6.926 1.00 11.50 H new ATOM 0 HB2 ARG B 121 10.694 -5.854 4.725 1.00 1.11 H new ATOM 0 HB3 ARG B 121 11.057 -4.684 5.979 1.00 1.11 H new ATOM 0 HG2 ARG B 121 12.050 -6.625 6.807 1.00 53.20 H new ATOM 0 HG3 ARG B 121 10.515 -6.605 7.652 1.00 53.20 H new ATOM 0 HD2 ARG B 121 10.455 -8.779 6.910 1.00 43.40 H new ATOM 0 HD3 ARG B 121 9.716 -8.015 5.517 1.00 43.40 H new ATOM 0 HE ARG B 121 11.579 -8.558 4.231 1.00 33.30 H new ATOM 0 HH11 ARG B 121 12.353 -8.840 7.666 1.00 51.10 H new ATOM 0 HH12 ARG B 121 13.932 -9.575 7.367 1.00 51.10 H new ATOM 0 HH21 ARG B 121 13.603 -9.497 3.856 1.00 3.41 H new ATOM 0 HH22 ARG B 121 14.636 -9.945 5.218 1.00 3.41 H new ATOM 1275 N GLN B 122 8.487 -3.443 4.425 1.00 73.30 N ATOM 1276 CA GLN B 122 8.229 -2.054 4.067 1.00 72.20 C ATOM 1277 C GLN B 122 7.013 -1.515 4.813 1.00 1.13 C ATOM 1278 O GLN B 122 7.039 -0.406 5.345 1.00 64.30 O ATOM 1279 CB GLN B 122 8.014 -1.926 2.557 1.00 63.30 C ATOM 1280 CG GLN B 122 9.300 -1.713 1.776 1.00 65.40 C ATOM 1281 CD GLN B 122 9.091 -1.802 0.276 1.00 20.20 C ATOM 1282 OE1 GLN B 122 9.360 -2.833 -0.339 1.00 20.40 O ATOM 1283 NE2 GLN B 122 8.612 -0.717 -0.320 1.00 43.40 N ATOM 0 H GLN B 122 8.447 -4.095 3.642 1.00 73.30 H new ATOM 0 HA GLN B 122 9.099 -1.464 4.355 1.00 72.20 H new ATOM 0 HB2 GLN B 122 7.521 -2.827 2.191 1.00 63.30 H new ATOM 0 HB3 GLN B 122 7.339 -1.092 2.364 1.00 63.30 H new ATOM 0 HG2 GLN B 122 9.714 -0.736 2.024 1.00 65.40 H new ATOM 0 HG3 GLN B 122 10.035 -2.458 2.082 1.00 65.40 H new ATOM 0 HE21 GLN B 122 8.403 0.116 0.230 1.00 43.40 H new ATOM 0 HE22 GLN B 122 8.453 -0.717 -1.328 1.00 43.40 H new ATOM 1292 N LEU B 123 5.949 -2.310 4.849 1.00 15.20 N ATOM 1293 CA LEU B 123 4.722 -1.913 5.530 1.00 14.30 C ATOM 1294 C LEU B 123 4.960 -1.746 7.028 1.00 42.10 C ATOM 1295 O LEU B 123 4.546 -0.753 7.625 1.00 72.20 O ATOM 1296 CB LEU B 123 3.622 -2.949 5.290 1.00 51.20 C ATOM 1297 CG LEU B 123 2.795 -2.733 4.022 1.00 41.20 C ATOM 1298 CD1 LEU B 123 3.612 -3.079 2.787 1.00 74.40 C ATOM 1299 CD2 LEU B 123 1.521 -3.563 4.069 1.00 43.20 C ATOM 0 H LEU B 123 5.911 -3.232 4.415 1.00 15.20 H new ATOM 0 HA LEU B 123 4.404 -0.954 5.121 1.00 14.30 H new ATOM 0 HB2 LEU B 123 4.079 -3.938 5.243 1.00 51.20 H new ATOM 0 HB3 LEU B 123 2.950 -2.949 6.148 1.00 51.20 H new ATOM 0 HG LEU B 123 2.518 -1.680 3.967 1.00 41.20 H new ATOM 0 HD11 LEU B 123 3.007 -2.919 1.894 1.00 74.40 H new ATOM 0 HD12 LEU B 123 4.496 -2.442 2.745 1.00 74.40 H new ATOM 0 HD13 LEU B 123 3.919 -4.124 2.835 1.00 74.40 H new ATOM 0 HD21 LEU B 123 0.945 -3.397 3.159 1.00 43.20 H new ATOM 0 HD22 LEU B 123 1.778 -4.619 4.148 1.00 43.20 H new ATOM 0 HD23 LEU B 123 0.926 -3.268 4.934 1.00 43.20 H new ATOM 1311 N LYS B 124 5.631 -2.724 7.627 1.00 24.20 N ATOM 1312 CA LYS B 124 5.926 -2.685 9.055 1.00 0.15 C ATOM 1313 C LYS B 124 6.803 -1.486 9.397 1.00 65.20 C ATOM 1314 O LYS B 124 6.709 -0.927 10.490 1.00 24.40 O ATOM 1315 CB LYS B 124 6.617 -3.979 9.490 1.00 31.40 C ATOM 1316 CG LYS B 124 6.419 -4.310 10.959 1.00 62.20 C ATOM 1317 CD LYS B 124 7.643 -4.977 11.547 1.00 33.40 C ATOM 1318 CE LYS B 124 7.479 -5.233 13.038 1.00 4.25 C ATOM 1319 NZ LYS B 124 7.557 -3.977 13.828 1.00 74.30 N ATOM 0 H LYS B 124 5.981 -3.553 7.146 1.00 24.20 H new ATOM 0 HA LYS B 124 4.983 -2.587 9.593 1.00 0.15 H new ATOM 0 HB2 LYS B 124 6.239 -4.804 8.886 1.00 31.40 H new ATOM 0 HB3 LYS B 124 7.684 -3.898 9.285 1.00 31.40 H new ATOM 0 HG2 LYS B 124 6.200 -3.397 11.512 1.00 62.20 H new ATOM 0 HG3 LYS B 124 5.556 -4.966 11.072 1.00 62.20 H new ATOM 0 HD2 LYS B 124 7.826 -5.921 11.033 1.00 33.40 H new ATOM 0 HD3 LYS B 124 8.517 -4.348 11.379 1.00 33.40 H new ATOM 0 HE2 LYS B 124 6.519 -5.717 13.220 1.00 4.25 H new ATOM 0 HE3 LYS B 124 8.253 -5.923 13.375 1.00 4.25 H new ATOM 0 HZ1 LYS B 124 7.577 -4.206 14.842 1.00 74.30 H new ATOM 0 HZ2 LYS B 124 8.422 -3.459 13.573 1.00 74.30 H new ATOM 0 HZ3 LYS B 124 6.726 -3.386 13.623 1.00 74.30 H new ATOM 1333 N ALA B 125 7.655 -1.094 8.456 1.00 71.10 N ATOM 1334 CA ALA B 125 8.549 0.039 8.657 1.00 33.10 C ATOM 1335 C ALA B 125 7.767 1.345 8.752 1.00 31.30 C ATOM 1336 O ALA B 125 8.022 2.170 9.630 1.00 43.40 O ATOM 1337 CB ALA B 125 9.569 0.114 7.530 1.00 64.30 C ATOM 0 H ALA B 125 7.745 -1.545 7.546 1.00 71.10 H new ATOM 0 HA ALA B 125 9.076 -0.109 9.600 1.00 33.10 H new ATOM 0 HB1 ALA B 125 10.230 0.965 7.694 1.00 64.30 H new ATOM 0 HB2 ALA B 125 10.157 -0.804 7.510 1.00 64.30 H new ATOM 0 HB3 ALA B 125 9.051 0.234 6.578 1.00 64.30 H new ATOM 1343 N LEU B 126 6.815 1.526 7.843 1.00 34.20 N ATOM 1344 CA LEU B 126 5.996 2.732 7.825 1.00 42.10 C ATOM 1345 C LEU B 126 5.098 2.799 9.056 1.00 42.10 C ATOM 1346 O LEU B 126 4.962 3.851 9.681 1.00 71.10 O ATOM 1347 CB LEU B 126 5.143 2.776 6.555 1.00 62.20 C ATOM 1348 CG LEU B 126 5.847 3.346 5.322 1.00 21.20 C ATOM 1349 CD1 LEU B 126 5.233 2.783 4.049 1.00 30.40 C ATOM 1350 CD2 LEU B 126 5.774 4.865 5.323 1.00 53.00 C ATOM 0 H LEU B 126 6.592 0.853 7.110 1.00 34.20 H new ATOM 0 HA LEU B 126 6.663 3.594 7.837 1.00 42.10 H new ATOM 0 HB2 LEU B 126 4.806 1.765 6.327 1.00 62.20 H new ATOM 0 HB3 LEU B 126 4.252 3.372 6.754 1.00 62.20 H new ATOM 0 HG LEU B 126 6.896 3.051 5.357 1.00 21.20 H new ATOM 0 HD11 LEU B 126 5.746 3.200 3.182 1.00 30.40 H new ATOM 0 HD12 LEU B 126 5.336 1.698 4.045 1.00 30.40 H new ATOM 0 HD13 LEU B 126 4.176 3.048 4.007 1.00 30.40 H new ATOM 0 HD21 LEU B 126 6.280 5.254 4.439 1.00 53.00 H new ATOM 0 HD22 LEU B 126 4.730 5.179 5.312 1.00 53.00 H new ATOM 0 HD23 LEU B 126 6.260 5.252 6.219 1.00 53.00 H new ATOM 1362 N GLY B 127 4.488 1.670 9.399 1.00 42.00 N ATOM 1363 CA GLY B 127 3.611 1.622 10.554 1.00 31.20 C ATOM 1364 C GLY B 127 4.271 0.978 11.758 1.00 53.40 C ATOM 1365 O GLY B 127 3.874 -0.105 12.187 1.00 41.20 O ATOM 0 H GLY B 127 4.585 0.787 8.898 1.00 42.00 H new ATOM 0 HA2 GLY B 127 3.300 2.634 10.812 1.00 31.20 H new ATOM 0 HA3 GLY B 127 2.709 1.067 10.298 1.00 31.20 H new ATOM 1369 N VAL B 128 5.283 1.645 12.303 1.00 72.00 N ATOM 1370 CA VAL B 128 5.999 1.131 13.464 1.00 61.10 C ATOM 1371 C VAL B 128 5.646 1.921 14.721 1.00 14.10 C ATOM 1372 O VAL B 128 5.652 1.381 15.827 1.00 63.40 O ATOM 1373 CB VAL B 128 7.526 1.178 13.248 1.00 64.00 C ATOM 1374 CG1 VAL B 128 7.997 2.609 13.041 1.00 12.40 C ATOM 1375 CG2 VAL B 128 8.253 0.532 14.417 1.00 65.20 C ATOM 0 H VAL B 128 5.625 2.542 11.959 1.00 72.00 H new ATOM 0 HA VAL B 128 5.691 0.093 13.594 1.00 61.10 H new ATOM 0 HB VAL B 128 7.761 0.612 12.347 1.00 64.00 H new ATOM 0 HG11 VAL B 128 9.077 2.619 12.891 1.00 12.40 H new ATOM 0 HG12 VAL B 128 7.505 3.031 12.165 1.00 12.40 H new ATOM 0 HG13 VAL B 128 7.748 3.205 13.919 1.00 12.40 H new ATOM 0 HG21 VAL B 128 9.329 0.575 14.245 1.00 65.20 H new ATOM 0 HG22 VAL B 128 8.010 1.066 15.336 1.00 65.20 H new ATOM 0 HG23 VAL B 128 7.942 -0.509 14.509 1.00 65.20 H new ATOM 1385 N ASP B 129 5.341 3.203 14.542 1.00 72.40 N ATOM 1386 CA ASP B 129 4.986 4.066 15.662 1.00 2.42 C ATOM 1387 C ASP B 129 4.366 5.370 15.168 1.00 51.10 C ATOM 1388 O ASP B 129 4.230 5.530 13.938 1.00 71.30 O ATOM 1389 CB ASP B 129 6.221 4.366 16.514 1.00 20.40 C ATOM 1390 CG ASP B 129 6.410 3.360 17.633 1.00 50.20 C ATOM 1391 OD1 ASP B 129 5.556 3.318 18.543 1.00 73.10 O ATOM 1392 OD2 ASP B 129 7.410 2.614 17.597 1.00 11.40 O ATOM 1393 OXT ASP B 129 4.022 6.220 16.017 1.00 38.00 O ATOM 0 H ASP B 129 5.333 3.666 13.633 1.00 72.40 H new ATOM 0 HA ASP B 129 4.250 3.543 16.273 1.00 2.42 H new ATOM 0 HB2 ASP B 129 7.106 4.368 15.878 1.00 20.40 H new ATOM 0 HB3 ASP B 129 6.132 5.366 16.939 1.00 20.40 H new TER 1398 ASP B 129