USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=12 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 Set 1.1: A 80 LYS NZ :NH3+ -175:sc= -0.249 (180deg=-0.293) USER MOD Set 1.2: A 81 ASN : amide:sc= -0.91 K(o=-1.2,f=-4.4!) USER MOD Single : A 10 ASN : amide:sc= -2.09 K(o=-2.1,f=-1.4) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -0.411 X(o=-0.41,f=-0.72) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0.314 K(o=0.31,f=-0.29) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -1.07 K(o=-1.1,f=-2.1) USER MOD Single : A 37 TYR OH : rot -173:sc= 0.0361 USER MOD Single : A 38 GLN : amide:sc= -1.04 X(o=-1,f=-0.64) USER MOD Single : A 39 HIS : no HD1:sc= -0.339 X(o=-0.34,f=-0.026) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -0.0748 X(o=-0.075,f=-0.00028) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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+ -172:sc= 0 (180deg=-0.0437) USER MOD Single : A 59 GLN : amide:sc= -0.197 K(o=-0.2,f=-1.7!) USER MOD Single : A 60 SER OG : rot 71:sc= 0.0365 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 CYS SG : rot 71:sc= -0.24 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0194 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 : B 122 GLN : amide:sc= -0.145 X(o=-0.15,f=0) USER MOD Single : B 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 10 -12.641 -8.891 2.057 1.00 4.40 N ATOM 2 CA ASN A 10 -11.384 -8.199 2.305 1.00 0.04 C ATOM 3 C ASN A 10 -10.758 -7.717 0.999 1.00 2.31 C ATOM 4 O ASN A 10 -10.066 -6.699 0.971 1.00 40.30 O ATOM 5 CB ASN A 10 -10.409 -9.119 3.043 1.00 10.30 C ATOM 6 CG ASN A 10 -9.576 -8.376 4.069 1.00 71.30 C ATOM 7 OD1 ASN A 10 -10.086 -7.938 5.100 1.00 4.31 O ATOM 8 ND2 ASN A 10 -8.286 -8.228 3.788 1.00 1.11 N ATOM 0 HA ASN A 10 -11.595 -7.329 2.927 1.00 0.04 H new ATOM 0 HB2 ASN A 10 -10.968 -9.913 3.539 1.00 10.30 H new ATOM 0 HB3 ASN A 10 -9.748 -9.598 2.320 1.00 10.30 H new ATOM 0 HD21 ASN A 10 -7.675 -7.735 4.439 1.00 1.11 H new ATOM 0 HD22 ASN A 10 -7.906 -8.608 2.921 1.00 1.11 H new ATOM 15 N LEU A 11 -10.996 -8.451 -0.074 1.00 31.00 N ATOM 16 CA LEU A 11 -10.455 -8.098 -1.380 1.00 21.30 C ATOM 17 C LEU A 11 -10.970 -6.734 -1.831 1.00 72.50 C ATOM 18 O LEU A 11 -10.270 -5.989 -2.515 1.00 23.20 O ATOM 19 CB LEU A 11 -10.824 -9.167 -2.418 1.00 43.30 C ATOM 20 CG LEU A 11 -12.303 -9.206 -2.822 1.00 31.10 C ATOM 21 CD1 LEU A 11 -12.576 -8.206 -3.933 1.00 22.50 C ATOM 22 CD2 LEU A 11 -12.695 -10.607 -3.248 1.00 71.00 C ATOM 0 H LEU A 11 -11.563 -9.299 -0.069 1.00 31.00 H new ATOM 0 HA LEU A 11 -9.370 -8.047 -1.294 1.00 21.30 H new ATOM 0 HB2 LEU A 11 -10.224 -9.003 -3.313 1.00 43.30 H new ATOM 0 HB3 LEU A 11 -10.546 -10.144 -2.023 1.00 43.30 H new ATOM 0 HG LEU A 11 -12.909 -8.929 -1.959 1.00 31.10 H new ATOM 0 HD11 LEU A 11 -13.630 -8.246 -4.208 1.00 22.50 H new ATOM 0 HD12 LEU A 11 -12.329 -7.202 -3.588 1.00 22.50 H new ATOM 0 HD13 LEU A 11 -11.965 -8.451 -4.802 1.00 22.50 H new ATOM 0 HD21 LEU A 11 -13.747 -10.620 -3.532 1.00 71.00 H new ATOM 0 HD22 LEU A 11 -12.086 -10.912 -4.099 1.00 71.00 H new ATOM 0 HD23 LEU A 11 -12.534 -11.297 -2.420 1.00 71.00 H new ATOM 34 N GLN A 12 -12.205 -6.418 -1.451 1.00 41.30 N ATOM 35 CA GLN A 12 -12.817 -5.146 -1.819 1.00 45.40 C ATOM 36 C GLN A 12 -12.095 -3.983 -1.141 1.00 73.40 C ATOM 37 O GLN A 12 -11.874 -2.938 -1.752 1.00 15.50 O ATOM 38 CB GLN A 12 -14.294 -5.134 -1.432 1.00 4.43 C ATOM 39 CG GLN A 12 -15.161 -4.320 -2.378 1.00 1.41 C ATOM 40 CD GLN A 12 -16.647 -4.524 -2.131 1.00 3.22 C ATOM 41 OE1 GLN A 12 -17.210 -3.973 -1.185 1.00 34.10 O ATOM 42 NE2 GLN A 12 -17.284 -5.317 -2.978 1.00 50.30 N ATOM 0 H GLN A 12 -12.801 -7.025 -0.889 1.00 41.30 H new ATOM 0 HA GLN A 12 -12.732 -5.029 -2.899 1.00 45.40 H new ATOM 0 HB2 GLN A 12 -14.663 -6.159 -1.405 1.00 4.43 H new ATOM 0 HB3 GLN A 12 -14.394 -4.733 -0.424 1.00 4.43 H new ATOM 0 HG2 GLN A 12 -14.920 -3.263 -2.267 1.00 1.41 H new ATOM 0 HG3 GLN A 12 -14.926 -4.594 -3.407 1.00 1.41 H new ATOM 0 HE21 GLN A 12 -16.777 -5.753 -3.748 1.00 50.30 H new ATOM 0 HE22 GLN A 12 -18.282 -5.492 -2.860 1.00 50.30 H new ATOM 51 N LYS A 13 -11.735 -4.175 0.121 1.00 52.30 N ATOM 52 CA LYS A 13 -11.041 -3.143 0.881 1.00 5.02 C ATOM 53 C LYS A 13 -9.713 -2.784 0.223 1.00 13.10 C ATOM 54 O LYS A 13 -9.341 -1.612 0.151 1.00 12.40 O ATOM 55 CB LYS A 13 -10.801 -3.612 2.317 1.00 31.30 C ATOM 56 CG LYS A 13 -11.931 -3.258 3.270 1.00 64.40 C ATOM 57 CD LYS A 13 -13.166 -4.104 3.007 1.00 1.44 C ATOM 58 CE LYS A 13 -13.153 -5.381 3.832 1.00 4.23 C ATOM 59 NZ LYS A 13 -13.754 -5.179 5.179 1.00 14.30 N ATOM 0 H LYS A 13 -11.912 -5.035 0.640 1.00 52.30 H new ATOM 0 HA LYS A 13 -11.671 -2.253 0.897 1.00 5.02 H new ATOM 0 HB2 LYS A 13 -10.661 -4.693 2.319 1.00 31.30 H new ATOM 0 HB3 LYS A 13 -9.875 -3.170 2.685 1.00 31.30 H new ATOM 0 HG2 LYS A 13 -11.601 -3.404 4.298 1.00 64.40 H new ATOM 0 HG3 LYS A 13 -12.182 -2.203 3.163 1.00 64.40 H new ATOM 0 HD2 LYS A 13 -14.060 -3.527 3.242 1.00 1.44 H new ATOM 0 HD3 LYS A 13 -13.218 -4.355 1.947 1.00 1.44 H new ATOM 0 HE2 LYS A 13 -13.702 -6.160 3.303 1.00 4.23 H new ATOM 0 HE3 LYS A 13 -12.127 -5.732 3.941 1.00 4.23 H new ATOM 0 HZ1 LYS A 13 -13.726 -6.073 5.709 1.00 14.30 H new ATOM 0 HZ2 LYS A 13 -13.215 -4.454 5.694 1.00 14.30 H new ATOM 0 HZ3 LYS A 13 -14.741 -4.869 5.076 1.00 14.30 H new ATOM 73 N ALA A 14 -9.001 -3.799 -0.256 1.00 65.30 N ATOM 74 CA ALA A 14 -7.715 -3.590 -0.908 1.00 21.40 C ATOM 75 C ALA A 14 -7.856 -2.680 -2.124 1.00 60.30 C ATOM 76 O ALA A 14 -7.112 -1.711 -2.275 1.00 25.00 O ATOM 77 CB ALA A 14 -7.106 -4.924 -1.313 1.00 73.10 C ATOM 0 H ALA A 14 -9.294 -4.775 -0.204 1.00 65.30 H new ATOM 0 HA ALA A 14 -7.051 -3.100 -0.196 1.00 21.40 H new ATOM 0 HB1 ALA A 14 -6.145 -4.753 -1.799 1.00 73.10 H new ATOM 0 HB2 ALA A 14 -6.959 -5.541 -0.427 1.00 73.10 H new ATOM 0 HB3 ALA A 14 -7.776 -5.435 -2.004 1.00 73.10 H new ATOM 83 N ILE A 15 -8.815 -2.999 -2.987 1.00 12.30 N ATOM 84 CA ILE A 15 -9.054 -2.209 -4.189 1.00 62.40 C ATOM 85 C ILE A 15 -9.650 -0.849 -3.843 1.00 24.20 C ATOM 86 O ILE A 15 -9.373 0.149 -4.508 1.00 23.10 O ATOM 87 CB ILE A 15 -9.992 -2.936 -5.158 1.00 21.20 C ATOM 88 CG1 ILE A 15 -9.528 -4.378 -5.383 1.00 63.30 C ATOM 89 CG2 ILE A 15 -10.072 -2.191 -6.483 1.00 42.40 C ATOM 90 CD1 ILE A 15 -8.107 -4.473 -5.906 1.00 24.10 C ATOM 0 H ILE A 15 -9.439 -3.798 -2.876 1.00 12.30 H new ATOM 0 HA ILE A 15 -8.087 -2.066 -4.672 1.00 62.40 H new ATOM 0 HB ILE A 15 -10.987 -2.962 -4.714 1.00 21.20 H new ATOM 0 HG12 ILE A 15 -9.600 -4.927 -4.444 1.00 63.30 H new ATOM 0 HG13 ILE A 15 -10.202 -4.864 -6.089 1.00 63.30 H new ATOM 0 HG21 ILE A 15 -10.743 -2.722 -7.159 1.00 42.40 H new ATOM 0 HG22 ILE A 15 -10.452 -1.184 -6.312 1.00 42.40 H new ATOM 0 HG23 ILE A 15 -9.079 -2.133 -6.929 1.00 42.40 H new ATOM 0 HD11 ILE A 15 -7.839 -5.521 -6.044 1.00 24.10 H new ATOM 0 HD12 ILE A 15 -8.035 -3.951 -6.860 1.00 24.10 H new ATOM 0 HD13 ILE A 15 -7.424 -4.015 -5.190 1.00 24.10 H new ATOM 102 N ASP A 16 -10.471 -0.817 -2.799 1.00 51.10 N ATOM 103 CA ASP A 16 -11.107 0.421 -2.363 1.00 20.10 C ATOM 104 C ASP A 16 -10.098 1.343 -1.687 1.00 60.10 C ATOM 105 O ASP A 16 -10.188 2.565 -1.797 1.00 11.30 O ATOM 106 CB ASP A 16 -12.260 0.117 -1.406 1.00 50.30 C ATOM 107 CG ASP A 16 -13.353 1.167 -1.464 1.00 60.30 C ATOM 108 OD1 ASP A 16 -13.083 2.326 -1.085 1.00 62.40 O ATOM 109 OD2 ASP A 16 -14.471 0.833 -1.885 1.00 41.20 O ATOM 0 H ASP A 16 -10.712 -1.635 -2.239 1.00 51.10 H new ATOM 0 HA ASP A 16 -11.500 0.928 -3.244 1.00 20.10 H new ATOM 0 HB2 ASP A 16 -12.683 -0.858 -1.650 1.00 50.30 H new ATOM 0 HB3 ASP A 16 -11.876 0.052 -0.388 1.00 50.30 H new ATOM 114 N LEU A 17 -9.137 0.747 -0.988 1.00 24.10 N ATOM 115 CA LEU A 17 -8.110 1.515 -0.294 1.00 35.30 C ATOM 116 C LEU A 17 -7.020 1.965 -1.261 1.00 53.10 C ATOM 117 O LEU A 17 -6.508 3.081 -1.160 1.00 4.45 O ATOM 118 CB LEU A 17 -7.495 0.682 0.833 1.00 31.20 C ATOM 119 CG LEU A 17 -8.188 0.819 2.190 1.00 75.10 C ATOM 120 CD1 LEU A 17 -8.186 2.269 2.647 1.00 42.00 C ATOM 121 CD2 LEU A 17 -9.609 0.281 2.120 1.00 62.40 C ATOM 0 H LEU A 17 -9.048 -0.264 -0.887 1.00 24.10 H new ATOM 0 HA LEU A 17 -8.581 2.401 0.133 1.00 35.30 H new ATOM 0 HB2 LEU A 17 -7.510 -0.367 0.539 1.00 31.20 H new ATOM 0 HB3 LEU A 17 -6.449 0.967 0.946 1.00 31.20 H new ATOM 0 HG LEU A 17 -7.634 0.229 2.920 1.00 75.10 H new ATOM 0 HD11 LEU A 17 -8.683 2.346 3.614 1.00 42.00 H new ATOM 0 HD12 LEU A 17 -7.158 2.620 2.738 1.00 42.00 H new ATOM 0 HD13 LEU A 17 -8.715 2.881 1.917 1.00 42.00 H new ATOM 0 HD21 LEU A 17 -10.086 0.387 3.094 1.00 62.40 H new ATOM 0 HD22 LEU A 17 -10.174 0.842 1.376 1.00 62.40 H new ATOM 0 HD23 LEU A 17 -9.586 -0.772 1.840 1.00 62.40 H new ATOM 133 N ALA A 18 -6.671 1.091 -2.200 1.00 70.10 N ATOM 134 CA ALA A 18 -5.642 1.399 -3.186 1.00 73.50 C ATOM 135 C ALA A 18 -6.147 2.412 -4.208 1.00 3.41 C ATOM 136 O ALA A 18 -5.455 3.376 -4.534 1.00 22.20 O ATOM 137 CB ALA A 18 -5.181 0.127 -3.882 1.00 65.30 C ATOM 0 H ALA A 18 -7.086 0.164 -2.298 1.00 70.10 H new ATOM 0 HA ALA A 18 -4.794 1.842 -2.664 1.00 73.50 H new ATOM 0 HB1 ALA A 18 -4.413 0.372 -4.616 1.00 65.30 H new ATOM 0 HB2 ALA A 18 -4.772 -0.563 -3.144 1.00 65.30 H new ATOM 0 HB3 ALA A 18 -6.028 -0.340 -4.385 1.00 65.30 H new ATOM 143 N SER A 19 -7.355 2.185 -4.711 1.00 11.10 N ATOM 144 CA SER A 19 -7.953 3.077 -5.698 1.00 50.40 C ATOM 145 C SER A 19 -8.214 4.455 -5.098 1.00 3.03 C ATOM 146 O SER A 19 -7.981 5.477 -5.742 1.00 44.30 O ATOM 147 CB SER A 19 -9.259 2.483 -6.229 1.00 3.11 C ATOM 148 OG SER A 19 -9.946 3.413 -7.049 1.00 4.25 O ATOM 0 H SER A 19 -7.940 1.391 -4.452 1.00 11.10 H new ATOM 0 HA SER A 19 -7.250 3.187 -6.524 1.00 50.40 H new ATOM 0 HB2 SER A 19 -9.046 1.579 -6.799 1.00 3.11 H new ATOM 0 HB3 SER A 19 -9.895 2.190 -5.394 1.00 3.11 H new ATOM 0 HG SER A 19 -10.776 3.009 -7.377 1.00 4.25 H new ATOM 154 N LYS A 20 -8.698 4.473 -3.860 1.00 63.10 N ATOM 155 CA LYS A 20 -8.991 5.726 -3.172 1.00 21.00 C ATOM 156 C LYS A 20 -7.704 6.460 -2.808 1.00 51.20 C ATOM 157 O LYS A 20 -7.664 7.690 -2.787 1.00 2.42 O ATOM 158 CB LYS A 20 -9.813 5.459 -1.910 1.00 52.40 C ATOM 159 CG LYS A 20 -10.457 6.707 -1.330 1.00 4.23 C ATOM 160 CD LYS A 20 -11.477 6.360 -0.257 1.00 53.50 C ATOM 161 CE LYS A 20 -12.615 7.367 -0.225 1.00 42.30 C ATOM 162 NZ LYS A 20 -13.571 7.091 0.884 1.00 31.10 N ATOM 0 H LYS A 20 -8.896 3.635 -3.313 1.00 63.10 H new ATOM 0 HA LYS A 20 -9.569 6.356 -3.848 1.00 21.00 H new ATOM 0 HB2 LYS A 20 -10.592 4.732 -2.140 1.00 52.40 H new ATOM 0 HB3 LYS A 20 -9.169 5.008 -1.155 1.00 52.40 H new ATOM 0 HG2 LYS A 20 -9.687 7.352 -0.907 1.00 4.23 H new ATOM 0 HG3 LYS A 20 -10.943 7.271 -2.126 1.00 4.23 H new ATOM 0 HD2 LYS A 20 -11.877 5.363 -0.442 1.00 53.50 H new ATOM 0 HD3 LYS A 20 -10.987 6.331 0.716 1.00 53.50 H new ATOM 0 HE2 LYS A 20 -12.208 8.372 -0.111 1.00 42.30 H new ATOM 0 HE3 LYS A 20 -13.146 7.344 -1.176 1.00 42.30 H new ATOM 0 HZ1 LYS A 20 -14.332 7.800 0.871 1.00 31.10 H new ATOM 0 HZ2 LYS A 20 -13.980 6.142 0.762 1.00 31.10 H new ATOM 0 HZ3 LYS A 20 -13.070 7.138 1.794 1.00 31.10 H new ATOM 176 N ALA A 21 -6.654 5.697 -2.522 1.00 0.12 N ATOM 177 CA ALA A 21 -5.366 6.275 -2.158 1.00 3.22 C ATOM 178 C ALA A 21 -4.826 7.160 -3.277 1.00 64.00 C ATOM 179 O ALA A 21 -4.499 8.326 -3.056 1.00 52.40 O ATOM 180 CB ALA A 21 -4.369 5.175 -1.826 1.00 74.30 C ATOM 0 H ALA A 21 -6.670 4.677 -2.535 1.00 0.12 H new ATOM 0 HA ALA A 21 -5.511 6.898 -1.275 1.00 3.22 H new ATOM 0 HB1 ALA A 21 -3.412 5.621 -1.556 1.00 74.30 H new ATOM 0 HB2 ALA A 21 -4.743 4.585 -0.989 1.00 74.30 H new ATOM 0 HB3 ALA A 21 -4.237 4.530 -2.694 1.00 74.30 H new ATOM 186 N ALA A 22 -4.736 6.598 -4.478 1.00 72.20 N ATOM 187 CA ALA A 22 -4.236 7.337 -5.631 1.00 25.10 C ATOM 188 C ALA A 22 -5.156 8.502 -5.977 1.00 33.50 C ATOM 189 O ALA A 22 -4.706 9.533 -6.478 1.00 72.40 O ATOM 190 CB ALA A 22 -4.086 6.408 -6.826 1.00 61.20 C ATOM 0 H ALA A 22 -5.003 5.634 -4.678 1.00 72.20 H new ATOM 0 HA ALA A 22 -3.258 7.745 -5.375 1.00 25.10 H new ATOM 0 HB1 ALA A 22 -3.712 6.972 -7.681 1.00 61.20 H new ATOM 0 HB2 ALA A 22 -3.384 5.611 -6.581 1.00 61.20 H new ATOM 0 HB3 ALA A 22 -5.055 5.974 -7.074 1.00 61.20 H new ATOM 196 N GLN A 23 -6.446 8.332 -5.708 1.00 52.30 N ATOM 197 CA GLN A 23 -7.429 9.370 -5.990 1.00 34.50 C ATOM 198 C GLN A 23 -7.167 10.614 -5.147 1.00 71.10 C ATOM 199 O GLN A 23 -7.441 11.736 -5.574 1.00 53.10 O ATOM 200 CB GLN A 23 -8.844 8.850 -5.725 1.00 2.10 C ATOM 201 CG GLN A 23 -9.882 9.389 -6.695 1.00 73.40 C ATOM 202 CD GLN A 23 -10.096 10.883 -6.549 1.00 13.30 C ATOM 203 OE1 GLN A 23 -9.573 11.676 -7.332 1.00 62.30 O ATOM 204 NE2 GLN A 23 -10.867 11.275 -5.541 1.00 4.03 N ATOM 0 H GLN A 23 -6.835 7.484 -5.295 1.00 52.30 H new ATOM 0 HA GLN A 23 -7.340 9.641 -7.042 1.00 34.50 H new ATOM 0 HB2 GLN A 23 -8.838 7.761 -5.780 1.00 2.10 H new ATOM 0 HB3 GLN A 23 -9.136 9.116 -4.709 1.00 2.10 H new ATOM 0 HG2 GLN A 23 -9.569 9.169 -7.716 1.00 73.40 H new ATOM 0 HG3 GLN A 23 -10.828 8.873 -6.533 1.00 73.40 H new ATOM 0 HE21 GLN A 23 -11.280 10.583 -4.916 1.00 4.03 H new ATOM 0 HE22 GLN A 23 -11.046 12.268 -5.392 1.00 4.03 H new ATOM 213 N GLU A 24 -6.633 10.407 -3.948 1.00 14.40 N ATOM 214 CA GLU A 24 -6.333 11.512 -3.044 1.00 64.40 C ATOM 215 C GLU A 24 -5.067 12.241 -3.478 1.00 14.40 C ATOM 216 O GLU A 24 -4.981 13.467 -3.384 1.00 2.42 O ATOM 217 CB GLU A 24 -6.174 10.998 -1.611 1.00 53.40 C ATOM 218 CG GLU A 24 -7.461 10.455 -1.013 1.00 2.03 C ATOM 219 CD GLU A 24 -8.603 11.448 -1.086 1.00 62.40 C ATOM 220 OE1 GLU A 24 -8.329 12.660 -1.217 1.00 12.30 O ATOM 221 OE2 GLU A 24 -9.773 11.016 -1.012 1.00 61.30 O ATOM 0 H GLU A 24 -6.399 9.485 -3.580 1.00 14.40 H new ATOM 0 HA GLU A 24 -7.166 12.214 -3.080 1.00 64.40 H new ATOM 0 HB2 GLU A 24 -5.417 10.213 -1.597 1.00 53.40 H new ATOM 0 HB3 GLU A 24 -5.805 11.808 -0.982 1.00 53.40 H new ATOM 0 HG2 GLU A 24 -7.744 9.542 -1.538 1.00 2.03 H new ATOM 0 HG3 GLU A 24 -7.287 10.183 0.028 1.00 2.03 H new ATOM 228 N ASP A 25 -4.086 11.483 -3.954 1.00 31.40 N ATOM 229 CA ASP A 25 -2.822 12.058 -4.403 1.00 74.10 C ATOM 230 C ASP A 25 -3.050 13.053 -5.536 1.00 64.20 C ATOM 231 O ASP A 25 -2.457 14.131 -5.559 1.00 32.50 O ATOM 232 CB ASP A 25 -1.869 10.954 -4.862 1.00 1.51 C ATOM 233 CG ASP A 25 -0.504 11.491 -5.246 1.00 31.40 C ATOM 234 OD1 ASP A 25 -0.398 12.132 -6.313 1.00 11.40 O ATOM 235 OD2 ASP A 25 0.458 11.270 -4.481 1.00 23.40 O ATOM 0 H ASP A 25 -4.141 10.468 -4.039 1.00 31.40 H new ATOM 0 HA ASP A 25 -2.374 12.588 -3.563 1.00 74.10 H new ATOM 0 HB2 ASP A 25 -1.756 10.220 -4.064 1.00 1.51 H new ATOM 0 HB3 ASP A 25 -2.305 10.433 -5.715 1.00 1.51 H new ATOM 240 N LYS A 26 -3.914 12.683 -6.476 1.00 35.30 N ATOM 241 CA LYS A 26 -4.222 13.544 -7.613 1.00 55.30 C ATOM 242 C LYS A 26 -5.242 14.609 -7.228 1.00 61.30 C ATOM 243 O LYS A 26 -5.230 15.717 -7.764 1.00 45.10 O ATOM 244 CB LYS A 26 -4.753 12.711 -8.781 1.00 3.32 C ATOM 245 CG LYS A 26 -4.330 13.235 -10.143 1.00 70.50 C ATOM 246 CD LYS A 26 -5.041 12.499 -11.268 1.00 2.13 C ATOM 247 CE LYS A 26 -4.164 11.410 -11.862 1.00 74.40 C ATOM 248 NZ LYS A 26 -4.340 11.301 -13.339 1.00 12.40 N ATOM 0 H LYS A 26 -4.413 11.793 -6.473 1.00 35.30 H new ATOM 0 HA LYS A 26 -3.302 14.042 -7.920 1.00 55.30 H new ATOM 0 HB2 LYS A 26 -4.405 11.684 -8.672 1.00 3.32 H new ATOM 0 HB3 LYS A 26 -5.842 12.685 -8.733 1.00 3.32 H new ATOM 0 HG2 LYS A 26 -4.549 14.301 -10.208 1.00 70.50 H new ATOM 0 HG3 LYS A 26 -3.252 13.124 -10.258 1.00 70.50 H new ATOM 0 HD2 LYS A 26 -5.964 12.059 -10.890 1.00 2.13 H new ATOM 0 HD3 LYS A 26 -5.322 13.207 -12.047 1.00 2.13 H new ATOM 0 HE2 LYS A 26 -3.119 11.621 -11.635 1.00 74.40 H new ATOM 0 HE3 LYS A 26 -4.405 10.455 -11.396 1.00 74.40 H new ATOM 0 HZ1 LYS A 26 -3.725 10.547 -13.707 1.00 12.40 H new ATOM 0 HZ2 LYS A 26 -5.332 11.075 -13.555 1.00 12.40 H new ATOM 0 HZ3 LYS A 26 -4.086 12.205 -13.787 1.00 12.40 H new ATOM 262 N ALA A 27 -6.125 14.267 -6.293 1.00 11.40 N ATOM 263 CA ALA A 27 -7.152 15.194 -5.836 1.00 53.00 C ATOM 264 C ALA A 27 -6.531 16.405 -5.148 1.00 50.30 C ATOM 265 O ALA A 27 -6.684 17.538 -5.604 1.00 32.20 O ATOM 266 CB ALA A 27 -8.119 14.489 -4.898 1.00 12.00 C ATOM 0 H ALA A 27 -6.148 13.354 -5.838 1.00 11.40 H new ATOM 0 HA ALA A 27 -7.702 15.547 -6.708 1.00 53.00 H new ATOM 0 HB1 ALA A 27 -8.881 15.193 -4.564 1.00 12.00 H new ATOM 0 HB2 ALA A 27 -8.595 13.660 -5.422 1.00 12.00 H new ATOM 0 HB3 ALA A 27 -7.575 14.107 -4.034 1.00 12.00 H new ATOM 272 N GLY A 28 -5.829 16.158 -4.047 1.00 34.10 N ATOM 273 CA GLY A 28 -5.196 17.238 -3.313 1.00 44.50 C ATOM 274 C GLY A 28 -4.880 16.861 -1.878 1.00 42.10 C ATOM 275 O GLY A 28 -3.952 17.401 -1.277 1.00 55.50 O ATOM 0 H GLY A 28 -5.687 15.229 -3.650 1.00 34.10 H new ATOM 0 HA2 GLY A 28 -4.275 17.526 -3.820 1.00 44.50 H new ATOM 0 HA3 GLY A 28 -5.850 18.110 -3.320 1.00 44.50 H new ATOM 279 N ASN A 29 -5.655 15.932 -1.328 1.00 4.02 N ATOM 280 CA ASN A 29 -5.454 15.484 0.045 1.00 23.40 C ATOM 281 C ASN A 29 -4.279 14.514 0.135 1.00 43.30 C ATOM 282 O ASN A 29 -4.457 13.300 0.042 1.00 54.30 O ATOM 283 CB ASN A 29 -6.723 14.817 0.578 1.00 53.50 C ATOM 284 CG ASN A 29 -7.928 15.735 0.516 1.00 32.30 C ATOM 285 OD1 ASN A 29 -7.822 16.936 0.764 1.00 24.10 O ATOM 286 ND2 ASN A 29 -9.084 15.171 0.184 1.00 0.42 N ATOM 0 H ASN A 29 -6.428 15.475 -1.812 1.00 4.02 H new ATOM 0 HA ASN A 29 -5.228 16.358 0.656 1.00 23.40 H new ATOM 0 HB2 ASN A 29 -6.926 13.915 0.000 1.00 53.50 H new ATOM 0 HB3 ASN A 29 -6.560 14.505 1.610 1.00 53.50 H new ATOM 0 HD21 ASN A 29 -9.930 15.738 0.126 1.00 0.42 H new ATOM 0 HD22 ASN A 29 -9.126 14.171 -0.013 1.00 0.42 H new ATOM 293 N TYR A 30 -3.082 15.059 0.317 1.00 64.30 N ATOM 294 CA TYR A 30 -1.879 14.242 0.420 1.00 33.40 C ATOM 295 C TYR A 30 -1.927 13.359 1.662 1.00 62.50 C ATOM 296 O TYR A 30 -1.702 12.150 1.586 1.00 74.50 O ATOM 297 CB TYR A 30 -0.634 15.131 0.460 1.00 52.20 C ATOM 298 CG TYR A 30 -0.526 16.076 -0.715 1.00 41.20 C ATOM 299 CD1 TYR A 30 -0.842 15.654 -2.002 1.00 54.50 C ATOM 300 CD2 TYR A 30 -0.107 17.388 -0.540 1.00 50.00 C ATOM 301 CE1 TYR A 30 -0.744 16.514 -3.078 1.00 0.11 C ATOM 302 CE2 TYR A 30 -0.006 18.254 -1.613 1.00 63.40 C ATOM 303 CZ TYR A 30 -0.325 17.812 -2.879 1.00 40.30 C ATOM 304 OH TYR A 30 -0.227 18.672 -3.949 1.00 13.00 O ATOM 0 H TYR A 30 -2.919 16.063 0.396 1.00 64.30 H new ATOM 0 HA TYR A 30 -1.830 13.600 -0.459 1.00 33.40 H new ATOM 0 HB2 TYR A 30 -0.642 15.711 1.383 1.00 52.20 H new ATOM 0 HB3 TYR A 30 0.253 14.498 0.489 1.00 52.20 H new ATOM 0 HD1 TYR A 30 -1.169 14.637 -2.162 1.00 54.50 H new ATOM 0 HD2 TYR A 30 0.144 17.738 0.450 1.00 50.00 H new ATOM 0 HE1 TYR A 30 -0.995 16.171 -4.071 1.00 0.11 H new ATOM 0 HE2 TYR A 30 0.321 19.272 -1.460 1.00 63.40 H new ATOM 0 HH TYR A 30 0.081 19.548 -3.637 1.00 13.00 H new ATOM 314 N GLU A 31 -2.224 13.969 2.805 1.00 53.20 N ATOM 315 CA GLU A 31 -2.304 13.238 4.063 1.00 34.50 C ATOM 316 C GLU A 31 -3.360 12.140 3.986 1.00 52.30 C ATOM 317 O GLU A 31 -3.230 11.092 4.619 1.00 32.50 O ATOM 318 CB GLU A 31 -2.627 14.194 5.213 1.00 34.40 C ATOM 319 CG GLU A 31 -1.919 13.844 6.512 1.00 20.30 C ATOM 320 CD GLU A 31 -0.414 13.757 6.351 1.00 21.40 C ATOM 321 OE1 GLU A 31 0.084 12.664 6.010 1.00 71.30 O ATOM 322 OE2 GLU A 31 0.265 14.783 6.566 1.00 14.30 O ATOM 0 H GLU A 31 -2.413 14.968 2.885 1.00 53.20 H new ATOM 0 HA GLU A 31 -1.335 12.774 4.248 1.00 34.50 H new ATOM 0 HB2 GLU A 31 -2.352 15.207 4.920 1.00 34.40 H new ATOM 0 HB3 GLU A 31 -3.704 14.193 5.384 1.00 34.40 H new ATOM 0 HG2 GLU A 31 -2.157 14.595 7.265 1.00 20.30 H new ATOM 0 HG3 GLU A 31 -2.297 12.891 6.882 1.00 20.30 H new ATOM 329 N GLU A 32 -4.406 12.387 3.204 1.00 61.10 N ATOM 330 CA GLU A 32 -5.484 11.421 3.040 1.00 14.20 C ATOM 331 C GLU A 32 -5.040 10.255 2.161 1.00 41.00 C ATOM 332 O GLU A 32 -5.460 9.117 2.363 1.00 75.10 O ATOM 333 CB GLU A 32 -6.714 12.097 2.429 1.00 24.40 C ATOM 334 CG GLU A 32 -7.898 11.161 2.250 1.00 3.52 C ATOM 335 CD GLU A 32 -8.757 11.065 3.495 1.00 43.30 C ATOM 336 OE1 GLU A 32 -8.860 12.073 4.225 1.00 3.41 O ATOM 337 OE2 GLU A 32 -9.328 9.982 3.741 1.00 32.30 O ATOM 0 H GLU A 32 -4.529 13.250 2.674 1.00 61.10 H new ATOM 0 HA GLU A 32 -5.744 11.032 4.025 1.00 14.20 H new ATOM 0 HB2 GLU A 32 -7.013 12.930 3.065 1.00 24.40 H new ATOM 0 HB3 GLU A 32 -6.444 12.516 1.460 1.00 24.40 H new ATOM 0 HG2 GLU A 32 -8.509 11.509 1.417 1.00 3.52 H new ATOM 0 HG3 GLU A 32 -7.535 10.168 1.986 1.00 3.52 H new ATOM 344 N ALA A 33 -4.186 10.551 1.186 1.00 61.10 N ATOM 345 CA ALA A 33 -3.683 9.529 0.277 1.00 53.40 C ATOM 346 C ALA A 33 -2.694 8.606 0.981 1.00 74.20 C ATOM 347 O ALA A 33 -2.679 7.398 0.744 1.00 62.20 O ATOM 348 CB ALA A 33 -3.031 10.177 -0.936 1.00 11.40 C ATOM 0 H ALA A 33 -3.829 11.489 1.006 1.00 61.10 H new ATOM 0 HA ALA A 33 -4.528 8.926 -0.056 1.00 53.40 H new ATOM 0 HB1 ALA A 33 -2.660 9.402 -1.607 1.00 11.40 H new ATOM 0 HB2 ALA A 33 -3.765 10.789 -1.460 1.00 11.40 H new ATOM 0 HB3 ALA A 33 -2.201 10.804 -0.611 1.00 11.40 H new ATOM 354 N LEU A 34 -1.870 9.184 1.848 1.00 14.50 N ATOM 355 CA LEU A 34 -0.877 8.414 2.588 1.00 60.30 C ATOM 356 C LEU A 34 -1.549 7.379 3.485 1.00 20.20 C ATOM 357 O LEU A 34 -1.177 6.205 3.482 1.00 50.40 O ATOM 358 CB LEU A 34 -0.003 9.345 3.432 1.00 71.40 C ATOM 359 CG LEU A 34 1.457 8.914 3.570 1.00 70.20 C ATOM 360 CD1 LEU A 34 2.226 9.900 4.434 1.00 63.20 C ATOM 361 CD2 LEU A 34 1.545 7.511 4.151 1.00 54.20 C ATOM 0 H LEU A 34 -1.870 10.183 2.056 1.00 14.50 H new ATOM 0 HA LEU A 34 -0.249 7.891 1.867 1.00 60.30 H new ATOM 0 HB2 LEU A 34 -0.031 10.342 2.993 1.00 71.40 H new ATOM 0 HB3 LEU A 34 -0.439 9.423 4.428 1.00 71.40 H new ATOM 0 HG LEU A 34 1.908 8.904 2.578 1.00 70.20 H new ATOM 0 HD11 LEU A 34 3.263 9.576 4.521 1.00 63.20 H new ATOM 0 HD12 LEU A 34 2.192 10.889 3.976 1.00 63.20 H new ATOM 0 HD13 LEU A 34 1.776 9.943 5.426 1.00 63.20 H new ATOM 0 HD21 LEU A 34 2.591 7.220 4.242 1.00 54.20 H new ATOM 0 HD22 LEU A 34 1.077 7.495 5.135 1.00 54.20 H new ATOM 0 HD23 LEU A 34 1.030 6.812 3.492 1.00 54.20 H new ATOM 373 N GLN A 35 -2.542 7.821 4.249 1.00 51.30 N ATOM 374 CA GLN A 35 -3.267 6.933 5.151 1.00 5.22 C ATOM 375 C GLN A 35 -3.940 5.804 4.376 1.00 43.30 C ATOM 376 O GLN A 35 -3.970 4.659 4.830 1.00 61.10 O ATOM 377 CB GLN A 35 -4.314 7.718 5.941 1.00 34.00 C ATOM 378 CG GLN A 35 -5.262 8.522 5.065 1.00 33.30 C ATOM 379 CD GLN A 35 -6.453 9.058 5.834 1.00 74.20 C ATOM 380 OE1 GLN A 35 -7.583 9.038 5.344 1.00 10.10 O ATOM 381 NE2 GLN A 35 -6.207 9.542 7.046 1.00 53.20 N ATOM 0 H GLN A 35 -2.863 8.789 4.262 1.00 51.30 H new ATOM 0 HA GLN A 35 -2.550 6.497 5.846 1.00 5.22 H new ATOM 0 HB2 GLN A 35 -4.895 7.023 6.548 1.00 34.00 H new ATOM 0 HB3 GLN A 35 -3.806 8.395 6.628 1.00 34.00 H new ATOM 0 HG2 GLN A 35 -4.719 9.354 4.617 1.00 33.30 H new ATOM 0 HG3 GLN A 35 -5.615 7.894 4.247 1.00 33.30 H new ATOM 0 HE21 GLN A 35 -5.255 9.539 7.413 1.00 53.20 H new ATOM 0 HE22 GLN A 35 -6.970 9.917 7.610 1.00 53.20 H new ATOM 390 N LEU A 36 -4.476 6.132 3.206 1.00 43.10 N ATOM 391 CA LEU A 36 -5.147 5.146 2.368 1.00 24.20 C ATOM 392 C LEU A 36 -4.137 4.199 1.728 1.00 64.30 C ATOM 393 O LEU A 36 -4.410 3.012 1.549 1.00 70.40 O ATOM 394 CB LEU A 36 -5.971 5.842 1.283 1.00 41.40 C ATOM 395 CG LEU A 36 -7.186 6.619 1.791 1.00 0.23 C ATOM 396 CD1 LEU A 36 -7.586 7.695 0.795 1.00 41.10 C ATOM 397 CD2 LEU A 36 -8.348 5.674 2.055 1.00 64.40 C ATOM 0 H LEU A 36 -4.459 7.074 2.816 1.00 43.10 H new ATOM 0 HA LEU A 36 -5.815 4.562 3.001 1.00 24.20 H new ATOM 0 HB2 LEU A 36 -5.322 6.528 0.739 1.00 41.40 H new ATOM 0 HB3 LEU A 36 -6.311 5.092 0.569 1.00 41.40 H new ATOM 0 HG LEU A 36 -6.918 7.105 2.729 1.00 0.23 H new ATOM 0 HD11 LEU A 36 -8.452 8.237 1.174 1.00 41.10 H new ATOM 0 HD12 LEU A 36 -6.756 8.388 0.655 1.00 41.10 H new ATOM 0 HD13 LEU A 36 -7.837 7.232 -0.160 1.00 41.10 H new ATOM 0 HD21 LEU A 36 -9.205 6.243 2.416 1.00 64.40 H new ATOM 0 HD22 LEU A 36 -8.616 5.160 1.132 1.00 64.40 H new ATOM 0 HD23 LEU A 36 -8.057 4.940 2.807 1.00 64.40 H new ATOM 409 N TYR A 37 -2.970 4.733 1.382 1.00 2.54 N ATOM 410 CA TYR A 37 -1.919 3.936 0.761 1.00 52.50 C ATOM 411 C TYR A 37 -1.485 2.797 1.679 1.00 61.30 C ATOM 412 O TYR A 37 -1.350 1.653 1.245 1.00 23.30 O ATOM 413 CB TYR A 37 -0.716 4.817 0.420 1.00 10.50 C ATOM 414 CG TYR A 37 -0.835 5.514 -0.917 1.00 53.40 C ATOM 415 CD1 TYR A 37 -1.172 4.806 -2.063 1.00 53.40 C ATOM 416 CD2 TYR A 37 -0.609 6.880 -1.032 1.00 73.10 C ATOM 417 CE1 TYR A 37 -1.282 5.440 -3.287 1.00 32.40 C ATOM 418 CE2 TYR A 37 -0.717 7.521 -2.250 1.00 54.30 C ATOM 419 CZ TYR A 37 -1.053 6.797 -3.375 1.00 3.21 C ATOM 420 OH TYR A 37 -1.161 7.431 -4.591 1.00 31.40 O ATOM 0 H TYR A 37 -2.729 5.714 1.521 1.00 2.54 H new ATOM 0 HA TYR A 37 -2.319 3.506 -0.158 1.00 52.50 H new ATOM 0 HB2 TYR A 37 -0.592 5.567 1.201 1.00 10.50 H new ATOM 0 HB3 TYR A 37 0.185 4.204 0.422 1.00 10.50 H new ATOM 0 HD1 TYR A 37 -1.351 3.743 -1.997 1.00 53.40 H new ATOM 0 HD2 TYR A 37 -0.344 7.450 -0.154 1.00 73.10 H new ATOM 0 HE1 TYR A 37 -1.546 4.876 -4.169 1.00 32.40 H new ATOM 0 HE2 TYR A 37 -0.539 8.584 -2.322 1.00 54.30 H new ATOM 0 HH TYR A 37 -0.862 8.360 -4.503 1.00 31.40 H new ATOM 430 N GLN A 38 -1.270 3.119 2.951 1.00 3.12 N ATOM 431 CA GLN A 38 -0.852 2.123 3.930 1.00 75.10 C ATOM 432 C GLN A 38 -1.903 1.028 4.075 1.00 3.10 C ATOM 433 O GLN A 38 -1.592 -0.160 3.995 1.00 11.50 O ATOM 434 CB GLN A 38 -0.599 2.786 5.286 1.00 4.20 C ATOM 435 CG GLN A 38 0.665 3.627 5.325 1.00 44.00 C ATOM 436 CD GLN A 38 0.748 4.497 6.565 1.00 62.50 C ATOM 437 OE1 GLN A 38 0.051 4.260 7.552 1.00 13.10 O ATOM 438 NE2 GLN A 38 1.605 5.510 6.520 1.00 11.40 N ATOM 0 H GLN A 38 -1.378 4.061 3.327 1.00 3.12 H new ATOM 0 HA GLN A 38 0.074 1.668 3.577 1.00 75.10 H new ATOM 0 HB2 GLN A 38 -1.452 3.416 5.538 1.00 4.20 H new ATOM 0 HB3 GLN A 38 -0.535 2.014 6.052 1.00 4.20 H new ATOM 0 HG2 GLN A 38 1.535 2.971 5.287 1.00 44.00 H new ATOM 0 HG3 GLN A 38 0.704 4.260 4.438 1.00 44.00 H new ATOM 0 HE21 GLN A 38 2.163 5.669 5.681 1.00 11.40 H new ATOM 0 HE22 GLN A 38 1.706 6.129 7.324 1.00 11.40 H new ATOM 447 N HIS A 39 -3.151 1.435 4.289 1.00 53.20 N ATOM 448 CA HIS A 39 -4.249 0.489 4.444 1.00 74.50 C ATOM 449 C HIS A 39 -4.395 -0.384 3.201 1.00 12.50 C ATOM 450 O HIS A 39 -4.590 -1.596 3.301 1.00 61.40 O ATOM 451 CB HIS A 39 -5.557 1.233 4.716 1.00 72.20 C ATOM 452 CG HIS A 39 -5.572 1.957 6.026 1.00 35.20 C ATOM 453 ND1 HIS A 39 -6.735 2.335 6.665 1.00 52.20 N ATOM 454 CD2 HIS A 39 -4.558 2.371 6.821 1.00 22.40 C ATOM 455 CE1 HIS A 39 -6.435 2.952 7.794 1.00 35.30 C ATOM 456 NE2 HIS A 39 -5.121 2.986 7.912 1.00 51.30 N ATOM 0 H HIS A 39 -3.426 2.415 4.359 1.00 53.20 H new ATOM 0 HA HIS A 39 -4.023 -0.155 5.294 1.00 74.50 H new ATOM 0 HB2 HIS A 39 -5.732 1.949 3.913 1.00 72.20 H new ATOM 0 HB3 HIS A 39 -6.382 0.521 4.694 1.00 72.20 H new ATOM 0 HD2 HIS A 39 -3.502 2.242 6.632 1.00 22.40 H new ATOM 0 HE1 HIS A 39 -7.144 3.359 8.500 1.00 35.30 H new ATOM 0 HE2 HIS A 39 -4.607 3.402 8.688 1.00 51.30 H new ATOM 465 N ALA A 40 -4.302 0.239 2.032 1.00 13.30 N ATOM 466 CA ALA A 40 -4.423 -0.480 0.770 1.00 32.10 C ATOM 467 C ALA A 40 -3.353 -1.560 0.649 1.00 22.30 C ATOM 468 O ALA A 40 -3.654 -2.713 0.344 1.00 31.40 O ATOM 469 CB ALA A 40 -4.332 0.489 -0.400 1.00 75.00 C ATOM 0 H ALA A 40 -4.143 1.242 1.932 1.00 13.30 H new ATOM 0 HA ALA A 40 -5.398 -0.967 0.749 1.00 32.10 H new ATOM 0 HB1 ALA A 40 -4.424 -0.061 -1.336 1.00 75.00 H new ATOM 0 HB2 ALA A 40 -5.136 1.221 -0.329 1.00 75.00 H new ATOM 0 HB3 ALA A 40 -3.371 1.002 -0.374 1.00 75.00 H new ATOM 475 N VAL A 41 -2.104 -1.177 0.892 1.00 31.40 N ATOM 476 CA VAL A 41 -0.989 -2.112 0.811 1.00 61.20 C ATOM 477 C VAL A 41 -1.142 -3.235 1.831 1.00 63.40 C ATOM 478 O VAL A 41 -0.733 -4.370 1.586 1.00 43.10 O ATOM 479 CB VAL A 41 0.359 -1.402 1.041 1.00 2.11 C ATOM 480 CG1 VAL A 41 1.516 -2.360 0.805 1.00 32.00 C ATOM 481 CG2 VAL A 41 0.479 -0.177 0.147 1.00 54.10 C ATOM 0 H VAL A 41 -1.839 -0.226 1.147 1.00 31.40 H new ATOM 0 HA VAL A 41 -1.000 -2.533 -0.194 1.00 61.20 H new ATOM 0 HB VAL A 41 0.400 -1.070 2.078 1.00 2.11 H new ATOM 0 HG11 VAL A 41 2.459 -1.840 0.972 1.00 32.00 H new ATOM 0 HG12 VAL A 41 1.438 -3.201 1.494 1.00 32.00 H new ATOM 0 HG13 VAL A 41 1.481 -2.727 -0.221 1.00 32.00 H new ATOM 0 HG21 VAL A 41 1.438 0.310 0.324 1.00 54.10 H new ATOM 0 HG22 VAL A 41 0.414 -0.481 -0.898 1.00 54.10 H new ATOM 0 HG23 VAL A 41 -0.329 0.519 0.373 1.00 54.10 H new ATOM 491 N GLN A 42 -1.731 -2.911 2.977 1.00 11.50 N ATOM 492 CA GLN A 42 -1.938 -3.892 4.035 1.00 74.50 C ATOM 493 C GLN A 42 -2.975 -4.930 3.622 1.00 2.02 C ATOM 494 O GLN A 42 -2.764 -6.132 3.787 1.00 23.40 O ATOM 495 CB GLN A 42 -2.382 -3.196 5.324 1.00 43.50 C ATOM 496 CG GLN A 42 -1.241 -2.542 6.086 1.00 20.50 C ATOM 497 CD GLN A 42 -1.572 -2.315 7.548 1.00 50.00 C ATOM 498 OE1 GLN A 42 -2.735 -2.149 7.916 1.00 25.10 O ATOM 499 NE2 GLN A 42 -0.546 -2.307 8.392 1.00 51.40 N ATOM 0 H GLN A 42 -2.074 -1.976 3.197 1.00 11.50 H new ATOM 0 HA GLN A 42 -0.991 -4.403 4.212 1.00 74.50 H new ATOM 0 HB2 GLN A 42 -3.126 -2.438 5.080 1.00 43.50 H new ATOM 0 HB3 GLN A 42 -2.870 -3.925 5.971 1.00 43.50 H new ATOM 0 HG2 GLN A 42 -0.353 -3.169 6.011 1.00 20.50 H new ATOM 0 HG3 GLN A 42 -0.998 -1.587 5.620 1.00 20.50 H new ATOM 0 HE21 GLN A 42 0.402 -2.449 8.044 1.00 51.40 H new ATOM 0 HE22 GLN A 42 -0.706 -2.159 9.388 1.00 51.40 H new ATOM 508 N TYR A 43 -4.096 -4.460 3.084 1.00 74.10 N ATOM 509 CA TYR A 43 -5.166 -5.349 2.648 1.00 63.00 C ATOM 510 C TYR A 43 -4.702 -6.238 1.501 1.00 31.50 C ATOM 511 O TYR A 43 -5.120 -7.390 1.386 1.00 25.30 O ATOM 512 CB TYR A 43 -6.390 -4.537 2.218 1.00 4.53 C ATOM 513 CG TYR A 43 -7.396 -4.324 3.327 1.00 64.40 C ATOM 514 CD1 TYR A 43 -7.302 -3.227 4.174 1.00 51.20 C ATOM 515 CD2 TYR A 43 -8.439 -5.218 3.525 1.00 74.40 C ATOM 516 CE1 TYR A 43 -8.219 -3.028 5.189 1.00 2.51 C ATOM 517 CE2 TYR A 43 -9.361 -5.028 4.538 1.00 3.30 C ATOM 518 CZ TYR A 43 -9.247 -3.931 5.366 1.00 53.10 C ATOM 519 OH TYR A 43 -10.162 -3.737 6.375 1.00 70.10 O ATOM 0 H TYR A 43 -4.287 -3.468 2.940 1.00 74.10 H new ATOM 0 HA TYR A 43 -5.439 -5.986 3.489 1.00 63.00 H new ATOM 0 HB2 TYR A 43 -6.060 -3.567 1.847 1.00 4.53 H new ATOM 0 HB3 TYR A 43 -6.880 -5.046 1.388 1.00 4.53 H new ATOM 0 HD1 TYR A 43 -6.499 -2.518 4.037 1.00 51.20 H new ATOM 0 HD2 TYR A 43 -8.532 -6.077 2.877 1.00 74.40 H new ATOM 0 HE1 TYR A 43 -8.131 -2.171 5.840 1.00 2.51 H new ATOM 0 HE2 TYR A 43 -10.166 -5.734 4.680 1.00 3.30 H new ATOM 0 HH TYR A 43 -10.821 -4.462 6.362 1.00 70.10 H new ATOM 529 N PHE A 44 -3.836 -5.695 0.655 1.00 24.30 N ATOM 530 CA PHE A 44 -3.312 -6.437 -0.485 1.00 22.00 C ATOM 531 C PHE A 44 -2.529 -7.663 -0.023 1.00 34.00 C ATOM 532 O PHE A 44 -2.793 -8.782 -0.463 1.00 33.10 O ATOM 533 CB PHE A 44 -2.417 -5.532 -1.332 1.00 44.30 C ATOM 534 CG PHE A 44 -3.091 -5.011 -2.570 1.00 51.30 C ATOM 535 CD1 PHE A 44 -3.673 -5.882 -3.477 1.00 75.10 C ATOM 536 CD2 PHE A 44 -3.142 -3.650 -2.825 1.00 31.30 C ATOM 537 CE1 PHE A 44 -4.294 -5.405 -4.615 1.00 52.10 C ATOM 538 CE2 PHE A 44 -3.761 -3.168 -3.962 1.00 44.40 C ATOM 539 CZ PHE A 44 -4.338 -4.047 -4.858 1.00 52.20 C ATOM 0 H PHE A 44 -3.481 -4.742 0.737 1.00 24.30 H new ATOM 0 HA PHE A 44 -4.153 -6.776 -1.089 1.00 22.00 H new ATOM 0 HB2 PHE A 44 -2.088 -4.689 -0.725 1.00 44.30 H new ATOM 0 HB3 PHE A 44 -1.523 -6.085 -1.620 1.00 44.30 H new ATOM 0 HD1 PHE A 44 -3.641 -6.946 -3.292 1.00 75.10 H new ATOM 0 HD2 PHE A 44 -2.693 -2.959 -2.127 1.00 31.30 H new ATOM 0 HE1 PHE A 44 -4.745 -6.094 -5.314 1.00 52.10 H new ATOM 0 HE2 PHE A 44 -3.794 -2.105 -4.150 1.00 44.40 H new ATOM 0 HZ PHE A 44 -4.823 -3.672 -5.747 1.00 52.20 H new ATOM 549 N LEU A 45 -1.566 -7.444 0.866 1.00 53.50 N ATOM 550 CA LEU A 45 -0.745 -8.530 1.388 1.00 62.10 C ATOM 551 C LEU A 45 -1.555 -9.423 2.323 1.00 50.10 C ATOM 552 O LEU A 45 -1.291 -10.618 2.437 1.00 40.30 O ATOM 553 CB LEU A 45 0.473 -7.970 2.124 1.00 74.30 C ATOM 554 CG LEU A 45 1.695 -7.701 1.246 1.00 2.11 C ATOM 555 CD1 LEU A 45 2.861 -7.208 2.089 1.00 41.00 C ATOM 556 CD2 LEU A 45 2.080 -8.949 0.476 1.00 73.30 C ATOM 0 H LEU A 45 -1.335 -6.524 1.240 1.00 53.50 H new ATOM 0 HA LEU A 45 -0.404 -9.132 0.545 1.00 62.10 H new ATOM 0 HB2 LEU A 45 0.186 -7.040 2.614 1.00 74.30 H new ATOM 0 HB3 LEU A 45 0.757 -8.670 2.910 1.00 74.30 H new ATOM 0 HG LEU A 45 1.439 -6.921 0.529 1.00 2.11 H new ATOM 0 HD11 LEU A 45 3.722 -7.022 1.446 1.00 41.00 H new ATOM 0 HD12 LEU A 45 2.579 -6.284 2.595 1.00 41.00 H new ATOM 0 HD13 LEU A 45 3.119 -7.964 2.831 1.00 41.00 H new ATOM 0 HD21 LEU A 45 2.952 -8.740 -0.144 1.00 73.30 H new ATOM 0 HD22 LEU A 45 2.317 -9.750 1.176 1.00 73.30 H new ATOM 0 HD23 LEU A 45 1.249 -9.256 -0.159 1.00 73.30 H new ATOM 568 N HIS A 46 -2.541 -8.833 2.990 1.00 53.20 N ATOM 569 CA HIS A 46 -3.390 -9.576 3.917 1.00 33.10 C ATOM 570 C HIS A 46 -4.095 -10.725 3.205 1.00 20.10 C ATOM 571 O HIS A 46 -4.048 -11.870 3.657 1.00 45.30 O ATOM 572 CB HIS A 46 -4.422 -8.644 4.554 1.00 71.30 C ATOM 573 CG HIS A 46 -5.110 -9.239 5.743 1.00 25.30 C ATOM 574 ND1 HIS A 46 -4.876 -8.818 7.036 1.00 13.10 N ATOM 575 CD2 HIS A 46 -6.031 -10.228 5.833 1.00 40.30 C ATOM 576 CE1 HIS A 46 -5.623 -9.523 7.868 1.00 60.10 C ATOM 577 NE2 HIS A 46 -6.332 -10.383 7.163 1.00 75.40 N ATOM 0 H HIS A 46 -2.773 -7.843 2.907 1.00 53.20 H new ATOM 0 HA HIS A 46 -2.756 -9.992 4.700 1.00 33.10 H new ATOM 0 HB2 HIS A 46 -3.929 -7.720 4.854 1.00 71.30 H new ATOM 0 HB3 HIS A 46 -5.170 -8.378 3.807 1.00 71.30 H new ATOM 0 HD2 HIS A 46 -6.450 -10.790 5.011 1.00 40.30 H new ATOM 0 HE1 HIS A 46 -5.648 -9.413 8.942 1.00 60.10 H new ATOM 0 HE2 HIS A 46 -6.997 -11.055 7.545 1.00 75.40 H new ATOM 586 N VAL A 47 -4.750 -10.413 2.091 1.00 73.10 N ATOM 587 CA VAL A 47 -5.465 -11.422 1.319 1.00 32.10 C ATOM 588 C VAL A 47 -4.504 -12.435 0.717 1.00 3.12 C ATOM 589 O VAL A 47 -4.807 -13.625 0.644 1.00 63.10 O ATOM 590 CB VAL A 47 -6.292 -10.782 0.187 1.00 41.10 C ATOM 591 CG1 VAL A 47 -7.421 -9.939 0.762 1.00 11.20 C ATOM 592 CG2 VAL A 47 -5.402 -9.947 -0.720 1.00 25.10 C ATOM 0 H VAL A 47 -4.800 -9.471 1.704 1.00 73.10 H new ATOM 0 HA VAL A 47 -6.138 -11.929 2.010 1.00 32.10 H new ATOM 0 HB VAL A 47 -6.733 -11.580 -0.411 1.00 41.10 H new ATOM 0 HG11 VAL A 47 -7.994 -9.495 -0.052 1.00 11.20 H new ATOM 0 HG12 VAL A 47 -8.075 -10.569 1.365 1.00 11.20 H new ATOM 0 HG13 VAL A 47 -7.004 -9.148 1.385 1.00 11.20 H new ATOM 0 HG21 VAL A 47 -6.004 -9.504 -1.513 1.00 25.10 H new ATOM 0 HG22 VAL A 47 -4.929 -9.156 -0.138 1.00 25.10 H new ATOM 0 HG23 VAL A 47 -4.633 -10.582 -1.160 1.00 25.10 H new ATOM 602 N VAL A 48 -3.338 -11.962 0.288 1.00 54.50 N ATOM 603 CA VAL A 48 -2.333 -12.825 -0.307 1.00 53.20 C ATOM 604 C VAL A 48 -1.815 -13.846 0.708 1.00 22.20 C ATOM 605 O VAL A 48 -1.525 -14.988 0.363 1.00 71.30 O ATOM 606 CB VAL A 48 -1.141 -12.017 -0.855 1.00 62.40 C ATOM 607 CG1 VAL A 48 -0.168 -12.922 -1.595 1.00 5.13 C ATOM 608 CG2 VAL A 48 -1.627 -10.898 -1.760 1.00 54.10 C ATOM 0 H VAL A 48 -3.068 -10.980 0.344 1.00 54.50 H new ATOM 0 HA VAL A 48 -2.817 -13.345 -1.134 1.00 53.20 H new ATOM 0 HB VAL A 48 -0.614 -11.572 -0.011 1.00 62.40 H new ATOM 0 HG11 VAL A 48 0.665 -12.329 -1.973 1.00 5.13 H new ATOM 0 HG12 VAL A 48 0.209 -13.685 -0.914 1.00 5.13 H new ATOM 0 HG13 VAL A 48 -0.680 -13.401 -2.429 1.00 5.13 H new ATOM 0 HG21 VAL A 48 -0.772 -10.338 -2.138 1.00 54.10 H new ATOM 0 HG22 VAL A 48 -2.181 -11.322 -2.597 1.00 54.10 H new ATOM 0 HG23 VAL A 48 -2.277 -10.230 -1.195 1.00 54.10 H new ATOM 618 N LYS A 49 -1.706 -13.417 1.962 1.00 3.21 N ATOM 619 CA LYS A 49 -1.227 -14.288 3.027 1.00 25.10 C ATOM 620 C LYS A 49 -2.261 -15.358 3.364 1.00 42.20 C ATOM 621 O LYS A 49 -1.912 -16.472 3.759 1.00 70.00 O ATOM 622 CB LYS A 49 -0.901 -13.468 4.277 1.00 1.25 C ATOM 623 CG LYS A 49 0.521 -12.931 4.296 1.00 44.00 C ATOM 624 CD LYS A 49 0.591 -11.572 4.979 1.00 71.10 C ATOM 625 CE LYS A 49 1.577 -10.649 4.283 1.00 52.40 C ATOM 626 NZ LYS A 49 2.980 -11.118 4.431 1.00 32.00 N ATOM 0 H LYS A 49 -1.943 -12.472 2.264 1.00 3.21 H new ATOM 0 HA LYS A 49 -0.321 -14.782 2.677 1.00 25.10 H new ATOM 0 HB2 LYS A 49 -1.597 -12.632 4.346 1.00 1.25 H new ATOM 0 HB3 LYS A 49 -1.059 -14.088 5.160 1.00 1.25 H new ATOM 0 HG2 LYS A 49 1.171 -13.635 4.816 1.00 44.00 H new ATOM 0 HG3 LYS A 49 0.894 -12.847 3.275 1.00 44.00 H new ATOM 0 HD2 LYS A 49 -0.398 -11.114 4.982 1.00 71.10 H new ATOM 0 HD3 LYS A 49 0.885 -11.702 6.020 1.00 71.10 H new ATOM 0 HE2 LYS A 49 1.327 -10.583 3.224 1.00 52.40 H new ATOM 0 HE3 LYS A 49 1.485 -9.644 4.695 1.00 52.40 H new ATOM 0 HZ1 LYS A 49 3.619 -10.460 3.942 1.00 32.00 H new ATOM 0 HZ2 LYS A 49 3.229 -11.156 5.440 1.00 32.00 H new ATOM 0 HZ3 LYS A 49 3.075 -12.066 4.015 1.00 32.00 H new ATOM 640 N TYR A 50 -3.535 -15.014 3.204 1.00 52.30 N ATOM 641 CA TYR A 50 -4.621 -15.944 3.491 1.00 64.10 C ATOM 642 C TYR A 50 -5.440 -16.230 2.236 1.00 43.40 C ATOM 643 O TYR A 50 -6.640 -16.493 2.311 1.00 33.50 O ATOM 644 CB TYR A 50 -5.530 -15.378 4.585 1.00 71.30 C ATOM 645 CG TYR A 50 -4.812 -15.108 5.888 1.00 2.20 C ATOM 646 CD1 TYR A 50 -3.829 -14.131 5.973 1.00 43.40 C ATOM 647 CD2 TYR A 50 -5.113 -15.837 7.034 1.00 33.10 C ATOM 648 CE1 TYR A 50 -3.174 -13.875 7.161 1.00 70.10 C ATOM 649 CE2 TYR A 50 -4.459 -15.592 8.226 1.00 0.14 C ATOM 650 CZ TYR A 50 -3.490 -14.611 8.285 1.00 33.10 C ATOM 651 OH TYR A 50 -2.836 -14.367 9.470 1.00 2.22 O ATOM 0 H TYR A 50 -3.841 -14.097 2.877 1.00 52.30 H new ATOM 0 HA TYR A 50 -4.181 -16.879 3.838 1.00 64.10 H new ATOM 0 HB2 TYR A 50 -5.980 -14.451 4.229 1.00 71.30 H new ATOM 0 HB3 TYR A 50 -6.345 -16.078 4.767 1.00 71.30 H new ATOM 0 HD1 TYR A 50 -3.572 -13.560 5.093 1.00 43.40 H new ATOM 0 HD2 TYR A 50 -5.870 -16.606 6.991 1.00 33.10 H new ATOM 0 HE1 TYR A 50 -2.419 -13.104 7.211 1.00 70.10 H new ATOM 0 HE2 TYR A 50 -4.705 -16.165 9.108 1.00 0.14 H new ATOM 0 HH TYR A 50 -3.178 -14.971 10.162 1.00 2.22 H new ATOM 661 N GLU A 51 -4.781 -16.184 1.081 1.00 13.00 N ATOM 662 CA GLU A 51 -5.448 -16.438 -0.190 1.00 74.00 C ATOM 663 C GLU A 51 -4.453 -16.377 -1.347 1.00 25.30 C ATOM 664 O GLU A 51 -4.327 -15.343 -2.009 1.00 71.00 O ATOM 665 CB GLU A 51 -6.568 -15.433 -0.409 1.00 44.10 C ATOM 666 CG GLU A 51 -7.794 -16.023 -1.096 1.00 5.32 C ATOM 667 CD GLU A 51 -9.019 -15.141 -0.977 1.00 61.30 C ATOM 668 OE1 GLU A 51 -9.687 -15.195 0.077 1.00 54.00 O ATOM 669 OE2 GLU A 51 -9.304 -14.394 -1.935 1.00 61.40 O ATOM 0 H GLU A 51 -3.786 -15.973 1.001 1.00 13.00 H new ATOM 0 HA GLU A 51 -5.875 -17.440 -0.156 1.00 74.00 H new ATOM 0 HB2 GLU A 51 -6.866 -15.019 0.554 1.00 44.10 H new ATOM 0 HB3 GLU A 51 -6.189 -14.605 -1.009 1.00 44.10 H new ATOM 0 HG2 GLU A 51 -7.570 -16.185 -2.150 1.00 5.32 H new ATOM 0 HG3 GLU A 51 -8.012 -16.999 -0.663 1.00 5.32 H new ATOM 676 N ALA A 52 -3.758 -17.478 -1.584 1.00 2.10 N ATOM 677 CA ALA A 52 -2.777 -17.546 -2.661 1.00 5.14 C ATOM 678 C ALA A 52 -3.157 -18.612 -3.686 1.00 55.20 C ATOM 679 O ALA A 52 -2.934 -19.807 -3.472 1.00 44.10 O ATOM 680 CB ALA A 52 -1.391 -17.832 -2.096 1.00 64.30 C ATOM 0 H ALA A 52 -3.854 -18.339 -1.046 1.00 2.10 H new ATOM 0 HA ALA A 52 -2.763 -16.580 -3.165 1.00 5.14 H new ATOM 0 HB1 ALA A 52 -0.669 -17.880 -2.911 1.00 64.30 H new ATOM 0 HB2 ALA A 52 -1.108 -17.037 -1.407 1.00 64.30 H new ATOM 0 HB3 ALA A 52 -1.404 -18.784 -1.566 1.00 64.30 H new ATOM 686 N GLN A 53 -3.726 -18.171 -4.795 1.00 14.30 N ATOM 687 CA GLN A 53 -4.147 -19.079 -5.856 1.00 41.10 C ATOM 688 C GLN A 53 -2.999 -19.351 -6.825 1.00 31.40 C ATOM 689 O GLN A 53 -2.643 -20.502 -7.077 1.00 14.00 O ATOM 690 CB GLN A 53 -5.344 -18.511 -6.616 1.00 55.20 C ATOM 691 CG GLN A 53 -6.463 -18.024 -5.706 1.00 72.20 C ATOM 692 CD GLN A 53 -7.118 -16.755 -6.212 1.00 60.10 C ATOM 693 OE1 GLN A 53 -8.128 -16.797 -6.917 1.00 54.40 O ATOM 694 NE2 GLN A 53 -6.549 -15.611 -5.854 1.00 2.22 N ATOM 0 H GLN A 53 -3.909 -17.186 -4.987 1.00 14.30 H new ATOM 0 HA GLN A 53 -4.443 -20.019 -5.390 1.00 41.10 H new ATOM 0 HB2 GLN A 53 -5.008 -17.684 -7.241 1.00 55.20 H new ATOM 0 HB3 GLN A 53 -5.737 -19.277 -7.285 1.00 55.20 H new ATOM 0 HG2 GLN A 53 -7.217 -18.806 -5.614 1.00 72.20 H new ATOM 0 HG3 GLN A 53 -6.063 -17.848 -4.707 1.00 72.20 H new ATOM 0 HE21 GLN A 53 -5.713 -15.618 -5.269 1.00 2.22 H new ATOM 0 HE22 GLN A 53 -6.947 -14.724 -6.164 1.00 2.22 H new ATOM 703 N GLY A 54 -2.421 -18.284 -7.363 1.00 44.30 N ATOM 704 CA GLY A 54 -1.319 -18.421 -8.295 1.00 32.20 C ATOM 705 C GLY A 54 -0.188 -17.452 -8.009 1.00 53.00 C ATOM 706 O GLY A 54 -0.288 -16.623 -7.107 1.00 65.30 O ATOM 0 H GLY A 54 -2.698 -17.322 -7.169 1.00 44.30 H new ATOM 0 HA2 GLY A 54 -0.937 -19.441 -8.253 1.00 32.20 H new ATOM 0 HA3 GLY A 54 -1.684 -18.259 -9.309 1.00 32.20 H new ATOM 710 N ASP A 55 0.887 -17.564 -8.782 1.00 52.10 N ATOM 711 CA ASP A 55 2.040 -16.689 -8.608 1.00 35.00 C ATOM 712 C ASP A 55 1.828 -15.357 -9.320 1.00 15.50 C ATOM 713 O ASP A 55 2.331 -14.323 -8.883 1.00 43.20 O ATOM 714 CB ASP A 55 3.305 -17.371 -9.137 1.00 61.10 C ATOM 715 CG ASP A 55 3.182 -17.768 -10.595 1.00 72.30 C ATOM 716 OD1 ASP A 55 3.412 -16.899 -11.466 1.00 1.33 O ATOM 717 OD2 ASP A 55 2.853 -18.932 -10.863 1.00 75.10 O ATOM 0 H ASP A 55 0.984 -18.249 -9.532 1.00 52.10 H new ATOM 0 HA ASP A 55 2.159 -16.492 -7.543 1.00 35.00 H new ATOM 0 HB2 ASP A 55 4.154 -16.698 -9.017 1.00 61.10 H new ATOM 0 HB3 ASP A 55 3.514 -18.258 -8.538 1.00 61.10 H new ATOM 722 N LYS A 56 1.082 -15.387 -10.418 1.00 4.40 N ATOM 723 CA LYS A 56 0.810 -14.189 -11.190 1.00 60.40 C ATOM 724 C LYS A 56 0.076 -13.147 -10.343 1.00 44.20 C ATOM 725 O LYS A 56 0.426 -11.968 -10.351 1.00 44.10 O ATOM 726 CB LYS A 56 -0.027 -14.529 -12.425 1.00 25.30 C ATOM 727 CG LYS A 56 0.321 -13.700 -13.651 1.00 0.55 C ATOM 728 CD LYS A 56 -0.666 -13.934 -14.783 1.00 61.20 C ATOM 729 CE LYS A 56 -0.148 -14.955 -15.773 1.00 53.10 C ATOM 730 NZ LYS A 56 -0.828 -14.846 -17.093 1.00 12.30 N ATOM 0 H LYS A 56 0.655 -16.234 -10.792 1.00 4.40 H new ATOM 0 HA LYS A 56 1.765 -13.771 -11.507 1.00 60.40 H new ATOM 0 HB2 LYS A 56 0.105 -15.585 -12.662 1.00 25.30 H new ATOM 0 HB3 LYS A 56 -1.081 -14.385 -12.188 1.00 25.30 H new ATOM 0 HG2 LYS A 56 0.328 -12.643 -13.386 1.00 0.55 H new ATOM 0 HG3 LYS A 56 1.327 -13.951 -13.987 1.00 0.55 H new ATOM 0 HD2 LYS A 56 -1.617 -14.274 -14.373 1.00 61.20 H new ATOM 0 HD3 LYS A 56 -0.860 -12.993 -15.298 1.00 61.20 H new ATOM 0 HE2 LYS A 56 0.925 -14.819 -15.906 1.00 53.10 H new ATOM 0 HE3 LYS A 56 -0.295 -15.957 -15.371 1.00 53.10 H new ATOM 0 HZ1 LYS A 56 -0.444 -15.563 -17.742 1.00 12.30 H new ATOM 0 HZ2 LYS A 56 -1.849 -15.001 -16.971 1.00 12.30 H new ATOM 0 HZ3 LYS A 56 -0.666 -13.898 -17.490 1.00 12.30 H new ATOM 744 N ALA A 57 -0.938 -13.600 -9.614 1.00 53.30 N ATOM 745 CA ALA A 57 -1.710 -12.712 -8.755 1.00 24.10 C ATOM 746 C ALA A 57 -0.838 -12.056 -7.699 1.00 60.20 C ATOM 747 O ALA A 57 -0.888 -10.851 -7.491 1.00 35.10 O ATOM 748 CB ALA A 57 -2.858 -13.472 -8.103 1.00 63.40 C ATOM 0 H ALA A 57 -1.243 -14.573 -9.601 1.00 53.30 H new ATOM 0 HA ALA A 57 -2.121 -11.919 -9.380 1.00 24.10 H new ATOM 0 HB1 ALA A 57 -3.426 -12.796 -7.464 1.00 63.40 H new ATOM 0 HB2 ALA A 57 -3.512 -13.876 -8.876 1.00 63.40 H new ATOM 0 HB3 ALA A 57 -2.459 -14.289 -7.502 1.00 63.40 H new ATOM 754 N LYS A 58 -0.027 -12.870 -7.030 1.00 20.00 N ATOM 755 CA LYS A 58 0.866 -12.372 -5.991 1.00 55.30 C ATOM 756 C LYS A 58 1.902 -11.420 -6.573 1.00 2.14 C ATOM 757 O LYS A 58 2.339 -10.481 -5.906 1.00 34.20 O ATOM 758 CB LYS A 58 1.573 -13.541 -5.294 1.00 42.40 C ATOM 759 CG LYS A 58 0.622 -14.609 -4.773 1.00 23.40 C ATOM 760 CD LYS A 58 1.259 -15.980 -4.791 1.00 12.10 C ATOM 761 CE LYS A 58 1.900 -16.322 -3.452 1.00 32.50 C ATOM 762 NZ LYS A 58 3.235 -15.679 -3.299 1.00 10.50 N ATOM 0 H LYS A 58 0.030 -13.876 -7.189 1.00 20.00 H new ATOM 0 HA LYS A 58 0.265 -11.828 -5.263 1.00 55.30 H new ATOM 0 HB2 LYS A 58 2.272 -14.000 -5.993 1.00 42.40 H new ATOM 0 HB3 LYS A 58 2.161 -13.154 -4.462 1.00 42.40 H new ATOM 0 HG2 LYS A 58 0.319 -14.362 -3.756 1.00 23.40 H new ATOM 0 HG3 LYS A 58 -0.282 -14.620 -5.381 1.00 23.40 H new ATOM 0 HD2 LYS A 58 0.505 -16.728 -5.035 1.00 12.10 H new ATOM 0 HD3 LYS A 58 2.014 -16.020 -5.576 1.00 12.10 H new ATOM 0 HE2 LYS A 58 1.246 -15.999 -2.642 1.00 32.50 H new ATOM 0 HE3 LYS A 58 2.005 -17.403 -3.365 1.00 32.50 H new ATOM 0 HZ1 LYS A 58 3.698 -16.040 -2.441 1.00 10.50 H new ATOM 0 HZ2 LYS A 58 3.823 -15.898 -4.128 1.00 10.50 H new ATOM 0 HZ3 LYS A 58 3.117 -14.649 -3.221 1.00 10.50 H new ATOM 776 N GLN A 59 2.289 -11.662 -7.821 1.00 73.10 N ATOM 777 CA GLN A 59 3.271 -10.819 -8.494 1.00 3.33 C ATOM 778 C GLN A 59 2.701 -9.434 -8.771 1.00 4.35 C ATOM 779 O GLN A 59 3.424 -8.434 -8.769 1.00 22.30 O ATOM 780 CB GLN A 59 3.720 -11.469 -9.804 1.00 41.10 C ATOM 781 CG GLN A 59 5.177 -11.206 -10.143 1.00 2.21 C ATOM 782 CD GLN A 59 5.351 -10.089 -11.153 1.00 21.20 C ATOM 783 OE1 GLN A 59 4.484 -9.860 -11.991 1.00 54.20 O ATOM 784 NE2 GLN A 59 6.480 -9.397 -11.078 1.00 55.40 N ATOM 0 H GLN A 59 1.938 -12.435 -8.387 1.00 73.10 H new ATOM 0 HA GLN A 59 4.133 -10.712 -7.835 1.00 3.33 H new ATOM 0 HB2 GLN A 59 3.559 -12.545 -9.740 1.00 41.10 H new ATOM 0 HB3 GLN A 59 3.094 -11.100 -10.617 1.00 41.10 H new ATOM 0 HG2 GLN A 59 5.718 -10.953 -9.231 1.00 2.21 H new ATOM 0 HG3 GLN A 59 5.625 -12.119 -10.536 1.00 2.21 H new ATOM 0 HE21 GLN A 59 7.171 -9.625 -10.363 1.00 55.40 H new ATOM 0 HE22 GLN A 59 6.657 -8.637 -11.735 1.00 55.40 H new ATOM 793 N SER A 60 1.392 -9.368 -9.009 1.00 12.00 N ATOM 794 CA SER A 60 0.726 -8.109 -9.288 1.00 1.35 C ATOM 795 C SER A 60 0.579 -7.279 -8.016 1.00 63.20 C ATOM 796 O SER A 60 1.011 -6.128 -7.961 1.00 52.30 O ATOM 797 CB SER A 60 -0.649 -8.360 -9.908 1.00 13.50 C ATOM 798 OG SER A 60 -0.530 -8.964 -11.185 1.00 1.14 O ATOM 0 H SER A 60 0.774 -10.179 -9.013 1.00 12.00 H new ATOM 0 HA SER A 60 1.339 -7.552 -9.997 1.00 1.35 H new ATOM 0 HB2 SER A 60 -1.236 -9.003 -9.251 1.00 13.50 H new ATOM 0 HB3 SER A 60 -1.189 -7.417 -9.997 1.00 13.50 H new ATOM 0 HG SER A 60 -0.225 -9.889 -11.082 1.00 1.14 H new ATOM 804 N ILE A 61 -0.033 -7.873 -6.996 1.00 75.10 N ATOM 805 CA ILE A 61 -0.237 -7.188 -5.725 1.00 65.40 C ATOM 806 C ILE A 61 1.091 -6.765 -5.108 1.00 55.30 C ATOM 807 O ILE A 61 1.205 -5.681 -4.537 1.00 4.22 O ATOM 808 CB ILE A 61 -0.995 -8.078 -4.722 1.00 11.10 C ATOM 809 CG1 ILE A 61 -0.285 -9.423 -4.558 1.00 53.40 C ATOM 810 CG2 ILE A 61 -2.433 -8.283 -5.177 1.00 3.50 C ATOM 811 CD1 ILE A 61 0.606 -9.490 -3.336 1.00 74.20 C ATOM 0 H ILE A 61 -0.396 -8.826 -7.025 1.00 75.10 H new ATOM 0 HA ILE A 61 -0.835 -6.301 -5.937 1.00 65.40 H new ATOM 0 HB ILE A 61 -1.008 -7.577 -3.754 1.00 11.10 H new ATOM 0 HG12 ILE A 61 -1.032 -10.214 -4.497 1.00 53.40 H new ATOM 0 HG13 ILE A 61 0.315 -9.619 -5.447 1.00 53.40 H new ATOM 0 HG21 ILE A 61 -2.956 -8.914 -4.458 1.00 3.50 H new ATOM 0 HG22 ILE A 61 -2.934 -7.318 -5.244 1.00 3.50 H new ATOM 0 HG23 ILE A 61 -2.440 -8.765 -6.155 1.00 3.50 H new ATOM 0 HD11 ILE A 61 1.077 -10.471 -3.283 1.00 74.20 H new ATOM 0 HD12 ILE A 61 1.376 -8.721 -3.404 1.00 74.20 H new ATOM 0 HD13 ILE A 61 0.008 -9.326 -2.440 1.00 74.20 H new ATOM 823 N ARG A 62 2.095 -7.629 -5.226 1.00 13.10 N ATOM 824 CA ARG A 62 3.417 -7.343 -4.680 1.00 4.13 C ATOM 825 C ARG A 62 4.011 -6.093 -5.319 1.00 2.13 C ATOM 826 O ARG A 62 4.434 -5.169 -4.625 1.00 10.00 O ATOM 827 CB ARG A 62 4.350 -8.536 -4.898 1.00 31.20 C ATOM 828 CG ARG A 62 4.293 -9.556 -3.778 1.00 12.40 C ATOM 829 CD ARG A 62 5.667 -10.137 -3.485 1.00 11.50 C ATOM 830 NE ARG A 62 5.844 -11.457 -4.088 1.00 40.30 N ATOM 831 CZ ARG A 62 7.030 -12.024 -4.297 1.00 23.40 C ATOM 832 NH1 ARG A 62 8.144 -11.388 -3.953 1.00 50.40 N ATOM 833 NH2 ARG A 62 7.102 -13.228 -4.850 1.00 10.20 N ATOM 0 H ARG A 62 2.018 -8.532 -5.694 1.00 13.10 H new ATOM 0 HA ARG A 62 3.311 -7.165 -3.610 1.00 4.13 H new ATOM 0 HB2 ARG A 62 4.091 -9.024 -5.838 1.00 31.20 H new ATOM 0 HB3 ARG A 62 5.373 -8.174 -4.998 1.00 31.20 H new ATOM 0 HG2 ARG A 62 3.895 -9.088 -2.878 1.00 12.40 H new ATOM 0 HG3 ARG A 62 3.607 -10.359 -4.050 1.00 12.40 H new ATOM 0 HD2 ARG A 62 6.434 -9.461 -3.862 1.00 11.50 H new ATOM 0 HD3 ARG A 62 5.807 -10.209 -2.407 1.00 11.50 H new ATOM 0 HE ARG A 62 5.009 -11.974 -4.365 1.00 40.30 H new ATOM 0 HH11 ARG A 62 8.092 -10.462 -3.527 1.00 50.40 H new ATOM 0 HH12 ARG A 62 9.051 -11.825 -4.114 1.00 50.40 H new ATOM 0 HH21 ARG A 62 6.248 -13.719 -5.115 1.00 10.20 H new ATOM 0 HH22 ARG A 62 8.011 -13.662 -5.010 1.00 10.20 H new ATOM 847 N ALA A 63 4.038 -6.070 -6.648 1.00 44.30 N ATOM 848 CA ALA A 63 4.580 -4.933 -7.381 1.00 35.50 C ATOM 849 C ALA A 63 3.821 -3.653 -7.047 1.00 53.00 C ATOM 850 O ALA A 63 4.383 -2.558 -7.079 1.00 62.10 O ATOM 851 CB ALA A 63 4.534 -5.200 -8.878 1.00 34.10 C ATOM 0 H ALA A 63 3.691 -6.826 -7.238 1.00 44.30 H new ATOM 0 HA ALA A 63 5.619 -4.799 -7.079 1.00 35.50 H new ATOM 0 HB1 ALA A 63 4.942 -4.343 -9.413 1.00 34.10 H new ATOM 0 HB2 ALA A 63 5.126 -6.086 -9.108 1.00 34.10 H new ATOM 0 HB3 ALA A 63 3.501 -5.363 -9.187 1.00 34.10 H new ATOM 857 N LYS A 64 2.539 -3.798 -6.726 1.00 33.20 N ATOM 858 CA LYS A 64 1.702 -2.654 -6.384 1.00 55.10 C ATOM 859 C LYS A 64 1.919 -2.233 -4.935 1.00 74.20 C ATOM 860 O LYS A 64 1.822 -1.053 -4.599 1.00 2.43 O ATOM 861 CB LYS A 64 0.227 -2.987 -6.616 1.00 0.55 C ATOM 862 CG LYS A 64 -0.260 -2.652 -8.016 1.00 52.00 C ATOM 863 CD LYS A 64 -0.206 -3.866 -8.930 1.00 42.10 C ATOM 864 CE LYS A 64 -0.930 -3.607 -10.242 1.00 2.13 C ATOM 865 NZ LYS A 64 -0.250 -4.264 -11.391 1.00 52.10 N ATOM 0 H LYS A 64 2.057 -4.697 -6.696 1.00 33.20 H new ATOM 0 HA LYS A 64 1.986 -1.823 -7.030 1.00 55.10 H new ATOM 0 HB2 LYS A 64 0.070 -4.049 -6.430 1.00 0.55 H new ATOM 0 HB3 LYS A 64 -0.378 -2.443 -5.890 1.00 0.55 H new ATOM 0 HG2 LYS A 64 -1.282 -2.277 -7.967 1.00 52.00 H new ATOM 0 HG3 LYS A 64 0.352 -1.853 -8.434 1.00 52.00 H new ATOM 0 HD2 LYS A 64 0.833 -4.125 -9.132 1.00 42.10 H new ATOM 0 HD3 LYS A 64 -0.656 -4.722 -8.427 1.00 42.10 H new ATOM 0 HE2 LYS A 64 -1.954 -3.972 -10.169 1.00 2.13 H new ATOM 0 HE3 LYS A 64 -0.986 -2.533 -10.419 1.00 2.13 H new ATOM 0 HZ1 LYS A 64 -0.775 -4.063 -12.266 1.00 52.10 H new ATOM 0 HZ2 LYS A 64 0.719 -3.897 -11.477 1.00 52.10 H new ATOM 0 HZ3 LYS A 64 -0.219 -5.292 -11.234 1.00 52.10 H new ATOM 879 N CYS A 65 2.213 -3.207 -4.078 1.00 32.20 N ATOM 880 CA CYS A 65 2.444 -2.935 -2.664 1.00 71.10 C ATOM 881 C CYS A 65 3.719 -2.123 -2.467 1.00 53.20 C ATOM 882 O CYS A 65 3.795 -1.275 -1.578 1.00 13.00 O ATOM 883 CB CYS A 65 2.533 -4.246 -1.880 1.00 65.30 C ATOM 884 SG CYS A 65 0.952 -5.099 -1.683 1.00 42.50 S ATOM 0 H CYS A 65 2.297 -4.190 -4.338 1.00 32.20 H new ATOM 0 HA CYS A 65 1.603 -2.352 -2.289 1.00 71.10 H new ATOM 0 HB2 CYS A 65 3.232 -4.912 -2.386 1.00 65.30 H new ATOM 0 HB3 CYS A 65 2.947 -4.039 -0.893 1.00 65.30 H new ATOM 0 HG CYS A 65 0.583 -5.598 -2.825 1.00 42.50 H new ATOM 890 N THR A 66 4.718 -2.388 -3.301 1.00 41.00 N ATOM 891 CA THR A 66 5.991 -1.681 -3.219 1.00 45.40 C ATOM 892 C THR A 66 5.870 -0.273 -3.794 1.00 62.20 C ATOM 893 O THR A 66 6.382 0.689 -3.221 1.00 23.10 O ATOM 894 CB THR A 66 7.079 -2.456 -3.964 1.00 21.00 C ATOM 895 OG1 THR A 66 6.790 -3.842 -3.972 1.00 65.30 O ATOM 896 CG2 THR A 66 8.457 -2.276 -3.368 1.00 2.31 C ATOM 0 H THR A 66 4.671 -3.087 -4.042 1.00 41.00 H new ATOM 0 HA THR A 66 6.266 -1.603 -2.167 1.00 45.40 H new ATOM 0 HB THR A 66 7.084 -2.048 -4.975 1.00 21.00 H new ATOM 0 HG1 THR A 66 7.496 -4.321 -4.454 1.00 65.30 H new ATOM 0 HG21 THR A 66 9.181 -2.852 -3.944 1.00 2.31 H new ATOM 0 HG22 THR A 66 8.730 -1.221 -3.394 1.00 2.31 H new ATOM 0 HG23 THR A 66 8.455 -2.625 -2.335 1.00 2.31 H new ATOM 904 N GLU A 67 5.187 -0.159 -4.928 1.00 44.40 N ATOM 905 CA GLU A 67 4.997 1.131 -5.579 1.00 24.20 C ATOM 906 C GLU A 67 4.227 2.090 -4.677 1.00 63.50 C ATOM 907 O GLU A 67 4.651 3.222 -4.451 1.00 12.50 O ATOM 908 CB GLU A 67 4.255 0.953 -6.905 1.00 54.40 C ATOM 909 CG GLU A 67 4.487 2.087 -7.890 1.00 3.24 C ATOM 910 CD GLU A 67 3.683 1.925 -9.166 1.00 42.00 C ATOM 911 OE1 GLU A 67 4.104 1.135 -10.032 1.00 12.00 O ATOM 912 OE2 GLU A 67 2.630 2.583 -9.293 1.00 22.30 O ATOM 0 H GLU A 67 4.756 -0.945 -5.415 1.00 44.40 H new ATOM 0 HA GLU A 67 5.981 1.558 -5.775 1.00 24.20 H new ATOM 0 HB2 GLU A 67 4.568 0.015 -7.364 1.00 54.40 H new ATOM 0 HB3 GLU A 67 3.187 0.869 -6.705 1.00 54.40 H new ATOM 0 HG2 GLU A 67 4.224 3.033 -7.417 1.00 3.24 H new ATOM 0 HG3 GLU A 67 5.547 2.137 -8.137 1.00 3.24 H new ATOM 919 N TYR A 68 3.091 1.626 -4.164 1.00 41.20 N ATOM 920 CA TYR A 68 2.261 2.443 -3.285 1.00 54.50 C ATOM 921 C TYR A 68 3.027 2.840 -2.028 1.00 3.53 C ATOM 922 O TYR A 68 2.869 3.949 -1.517 1.00 25.40 O ATOM 923 CB TYR A 68 0.988 1.684 -2.903 1.00 72.40 C ATOM 924 CG TYR A 68 0.026 1.497 -4.055 1.00 23.20 C ATOM 925 CD1 TYR A 68 -0.250 2.539 -4.931 1.00 2.32 C ATOM 926 CD2 TYR A 68 -0.606 0.278 -4.266 1.00 44.30 C ATOM 927 CE1 TYR A 68 -1.130 2.373 -5.984 1.00 44.40 C ATOM 928 CE2 TYR A 68 -1.486 0.103 -5.317 1.00 4.23 C ATOM 929 CZ TYR A 68 -1.745 1.153 -6.173 1.00 51.30 C ATOM 930 OH TYR A 68 -2.620 0.982 -7.220 1.00 34.20 O ATOM 0 H TYR A 68 2.725 0.691 -4.341 1.00 41.20 H new ATOM 0 HA TYR A 68 1.988 3.351 -3.823 1.00 54.50 H new ATOM 0 HB2 TYR A 68 1.263 0.706 -2.508 1.00 72.40 H new ATOM 0 HB3 TYR A 68 0.482 2.221 -2.101 1.00 72.40 H new ATOM 0 HD1 TYR A 68 0.231 3.495 -4.787 1.00 2.32 H new ATOM 0 HD2 TYR A 68 -0.406 -0.546 -3.598 1.00 44.30 H new ATOM 0 HE1 TYR A 68 -1.335 3.194 -6.655 1.00 44.40 H new ATOM 0 HE2 TYR A 68 -1.969 -0.851 -5.467 1.00 4.23 H new ATOM 0 HH TYR A 68 -2.965 0.065 -7.212 1.00 34.20 H new ATOM 940 N LEU A 69 3.857 1.927 -1.533 1.00 31.20 N ATOM 941 CA LEU A 69 4.648 2.182 -0.336 1.00 41.20 C ATOM 942 C LEU A 69 5.688 3.269 -0.591 1.00 3.43 C ATOM 943 O LEU A 69 5.942 4.113 0.268 1.00 72.10 O ATOM 944 CB LEU A 69 5.339 0.898 0.128 1.00 5.25 C ATOM 945 CG LEU A 69 4.433 -0.097 0.857 1.00 52.10 C ATOM 946 CD1 LEU A 69 5.055 -1.485 0.852 1.00 52.40 C ATOM 947 CD2 LEU A 69 4.170 0.367 2.281 1.00 3.13 C ATOM 0 H LEU A 69 3.999 1.004 -1.943 1.00 31.20 H new ATOM 0 HA LEU A 69 3.973 2.527 0.447 1.00 41.20 H new ATOM 0 HB2 LEU A 69 5.773 0.402 -0.741 1.00 5.25 H new ATOM 0 HB3 LEU A 69 6.164 1.165 0.788 1.00 5.25 H new ATOM 0 HG LEU A 69 3.480 -0.146 0.331 1.00 52.10 H new ATOM 0 HD11 LEU A 69 4.398 -2.180 1.374 1.00 52.40 H new ATOM 0 HD12 LEU A 69 5.192 -1.819 -0.177 1.00 52.40 H new ATOM 0 HD13 LEU A 69 6.022 -1.452 1.355 1.00 52.40 H new ATOM 0 HD21 LEU A 69 3.524 -0.352 2.785 1.00 3.13 H new ATOM 0 HD22 LEU A 69 5.115 0.445 2.819 1.00 3.13 H new ATOM 0 HD23 LEU A 69 3.682 1.342 2.262 1.00 3.13 H new ATOM 959 N ASP A 70 6.286 3.241 -1.778 1.00 23.30 N ATOM 960 CA ASP A 70 7.298 4.223 -2.146 1.00 4.34 C ATOM 961 C ASP A 70 6.696 5.623 -2.220 1.00 14.00 C ATOM 962 O ASP A 70 7.255 6.578 -1.682 1.00 1.14 O ATOM 963 CB ASP A 70 7.930 3.856 -3.490 1.00 24.40 C ATOM 964 CG ASP A 70 9.384 4.276 -3.580 1.00 1.54 C ATOM 965 OD1 ASP A 70 10.255 3.497 -3.141 1.00 51.40 O ATOM 966 OD2 ASP A 70 9.651 5.385 -4.089 1.00 43.30 O ATOM 0 H ASP A 70 6.087 2.549 -2.501 1.00 23.30 H new ATOM 0 HA ASP A 70 8.070 4.219 -1.376 1.00 4.34 H new ATOM 0 HB2 ASP A 70 7.856 2.779 -3.641 1.00 24.40 H new ATOM 0 HB3 ASP A 70 7.367 4.330 -4.294 1.00 24.40 H new ATOM 971 N ARG A 71 5.553 5.736 -2.889 1.00 23.40 N ATOM 972 CA ARG A 71 4.876 7.019 -3.033 1.00 20.40 C ATOM 973 C ARG A 71 4.500 7.592 -1.670 1.00 23.30 C ATOM 974 O ARG A 71 4.764 8.759 -1.382 1.00 34.00 O ATOM 975 CB ARG A 71 3.623 6.864 -3.897 1.00 22.10 C ATOM 976 CG ARG A 71 3.355 8.056 -4.800 1.00 74.20 C ATOM 977 CD ARG A 71 2.789 7.623 -6.142 1.00 44.40 C ATOM 978 NE ARG A 71 1.336 7.762 -6.194 1.00 2.14 N ATOM 979 CZ ARG A 71 0.625 7.713 -7.319 1.00 62.40 C ATOM 980 NH1 ARG A 71 1.230 7.528 -8.486 1.00 64.20 N ATOM 981 NH2 ARG A 71 -0.693 7.848 -7.277 1.00 31.40 N ATOM 0 H ARG A 71 5.077 4.955 -3.340 1.00 23.40 H new ATOM 0 HA ARG A 71 5.562 7.711 -3.521 1.00 20.40 H new ATOM 0 HB2 ARG A 71 3.724 5.969 -4.511 1.00 22.10 H new ATOM 0 HB3 ARG A 71 2.761 6.710 -3.248 1.00 22.10 H new ATOM 0 HG2 ARG A 71 2.656 8.734 -4.311 1.00 74.20 H new ATOM 0 HG3 ARG A 71 4.280 8.611 -4.956 1.00 74.20 H new ATOM 0 HD2 ARG A 71 3.239 8.221 -6.935 1.00 44.40 H new ATOM 0 HD3 ARG A 71 3.061 6.585 -6.332 1.00 44.40 H new ATOM 0 HE ARG A 71 0.836 7.905 -5.316 1.00 2.14 H new ATOM 0 HH11 ARG A 71 2.244 7.423 -8.524 1.00 64.20 H new ATOM 0 HH12 ARG A 71 0.681 7.491 -9.345 1.00 64.20 H new ATOM 0 HH21 ARG A 71 -1.163 7.989 -6.383 1.00 31.40 H new ATOM 0 HH22 ARG A 71 -1.237 7.810 -8.139 1.00 31.40 H new ATOM 995 N ALA A 72 3.883 6.762 -0.835 1.00 75.50 N ATOM 996 CA ALA A 72 3.472 7.185 0.498 1.00 71.10 C ATOM 997 C ALA A 72 4.670 7.645 1.322 1.00 23.30 C ATOM 998 O ALA A 72 4.583 8.614 2.077 1.00 50.50 O ATOM 999 CB ALA A 72 2.742 6.056 1.209 1.00 20.20 C ATOM 0 H ALA A 72 3.657 5.793 -1.058 1.00 75.50 H new ATOM 0 HA ALA A 72 2.792 8.030 0.390 1.00 71.10 H new ATOM 0 HB1 ALA A 72 2.441 6.386 2.203 1.00 20.20 H new ATOM 0 HB2 ALA A 72 1.858 5.777 0.636 1.00 20.20 H new ATOM 0 HB3 ALA A 72 3.403 5.194 1.298 1.00 20.20 H new ATOM 1005 N GLU A 73 5.787 6.942 1.174 1.00 20.20 N ATOM 1006 CA GLU A 73 7.004 7.279 1.905 1.00 11.10 C ATOM 1007 C GLU A 73 7.499 8.669 1.526 1.00 61.20 C ATOM 1008 O GLU A 73 7.982 9.420 2.374 1.00 13.30 O ATOM 1009 CB GLU A 73 8.096 6.242 1.625 1.00 75.20 C ATOM 1010 CG GLU A 73 9.375 6.479 2.411 1.00 34.00 C ATOM 1011 CD GLU A 73 10.497 5.551 1.990 1.00 71.30 C ATOM 1012 OE1 GLU A 73 11.090 5.785 0.917 1.00 53.30 O ATOM 1013 OE2 GLU A 73 10.783 4.589 2.735 1.00 2.11 O ATOM 0 H GLU A 73 5.876 6.136 0.555 1.00 20.20 H new ATOM 0 HA GLU A 73 6.771 7.274 2.970 1.00 11.10 H new ATOM 0 HB2 GLU A 73 7.712 5.250 1.862 1.00 75.20 H new ATOM 0 HB3 GLU A 73 8.327 6.249 0.560 1.00 75.20 H new ATOM 0 HG2 GLU A 73 9.694 7.513 2.277 1.00 34.00 H new ATOM 0 HG3 GLU A 73 9.175 6.343 3.474 1.00 34.00 H new ATOM 1020 N LYS A 74 7.376 9.008 0.246 1.00 4.00 N ATOM 1021 CA LYS A 74 7.811 10.310 -0.245 1.00 44.40 C ATOM 1022 C LYS A 74 6.961 11.427 0.352 1.00 11.40 C ATOM 1023 O LYS A 74 7.443 12.540 0.567 1.00 52.10 O ATOM 1024 CB LYS A 74 7.732 10.355 -1.772 1.00 13.00 C ATOM 1025 CG LYS A 74 8.988 9.845 -2.461 1.00 72.10 C ATOM 1026 CD LYS A 74 9.980 10.968 -2.715 1.00 5.14 C ATOM 1027 CE LYS A 74 10.791 10.718 -3.971 1.00 23.10 C ATOM 1028 NZ LYS A 74 12.117 11.393 -3.919 1.00 25.40 N ATOM 0 H LYS A 74 6.979 8.399 -0.469 1.00 4.00 H new ATOM 0 HA LYS A 74 8.846 10.460 0.063 1.00 44.40 H new ATOM 0 HB2 LYS A 74 6.880 9.760 -2.101 1.00 13.00 H new ATOM 0 HB3 LYS A 74 7.545 11.381 -2.088 1.00 13.00 H new ATOM 0 HG2 LYS A 74 9.456 9.077 -1.845 1.00 72.10 H new ATOM 0 HG3 LYS A 74 8.720 9.374 -3.407 1.00 72.10 H new ATOM 0 HD2 LYS A 74 9.445 11.913 -2.808 1.00 5.14 H new ATOM 0 HD3 LYS A 74 10.650 11.063 -1.861 1.00 5.14 H new ATOM 0 HE2 LYS A 74 10.934 9.646 -4.103 1.00 23.10 H new ATOM 0 HE3 LYS A 74 10.236 11.075 -4.839 1.00 23.10 H new ATOM 0 HZ1 LYS A 74 12.641 11.198 -4.796 1.00 25.40 H new ATOM 0 HZ2 LYS A 74 11.981 12.419 -3.819 1.00 25.40 H new ATOM 0 HZ3 LYS A 74 12.657 11.034 -3.106 1.00 25.40 H new ATOM 1042 N LEU A 75 5.696 11.123 0.618 1.00 30.30 N ATOM 1043 CA LEU A 75 4.779 12.102 1.191 1.00 11.20 C ATOM 1044 C LEU A 75 5.079 12.328 2.669 1.00 53.40 C ATOM 1045 O LEU A 75 5.071 13.462 3.147 1.00 34.30 O ATOM 1046 CB LEU A 75 3.331 11.638 1.017 1.00 42.30 C ATOM 1047 CG LEU A 75 2.672 12.052 -0.300 1.00 71.20 C ATOM 1048 CD1 LEU A 75 3.521 11.616 -1.483 1.00 0.41 C ATOM 1049 CD2 LEU A 75 1.272 11.466 -0.401 1.00 32.20 C ATOM 0 H LEU A 75 5.282 10.207 0.446 1.00 30.30 H new ATOM 0 HA LEU A 75 4.917 13.045 0.663 1.00 11.20 H new ATOM 0 HB2 LEU A 75 3.302 10.551 1.094 1.00 42.30 H new ATOM 0 HB3 LEU A 75 2.738 12.032 1.842 1.00 42.30 H new ATOM 0 HG LEU A 75 2.593 13.139 -0.319 1.00 71.20 H new ATOM 0 HD11 LEU A 75 3.036 11.919 -2.411 1.00 0.41 H new ATOM 0 HD12 LEU A 75 4.503 12.084 -1.418 1.00 0.41 H new ATOM 0 HD13 LEU A 75 3.634 10.532 -1.470 1.00 0.41 H new ATOM 0 HD21 LEU A 75 0.817 11.770 -1.344 1.00 32.20 H new ATOM 0 HD22 LEU A 75 1.329 10.378 -0.360 1.00 32.20 H new ATOM 0 HD23 LEU A 75 0.665 11.829 0.428 1.00 32.20 H new ATOM 1061 N LYS A 76 5.344 11.241 3.387 1.00 51.50 N ATOM 1062 CA LYS A 76 5.647 11.321 4.811 1.00 34.30 C ATOM 1063 C LYS A 76 6.862 12.209 5.059 1.00 71.40 C ATOM 1064 O LYS A 76 6.934 12.914 6.066 1.00 35.20 O ATOM 1065 CB LYS A 76 5.899 9.923 5.380 1.00 12.10 C ATOM 1066 CG LYS A 76 5.739 9.843 6.890 1.00 1.45 C ATOM 1067 CD LYS A 76 4.306 9.517 7.282 1.00 15.30 C ATOM 1068 CE LYS A 76 3.476 10.779 7.448 1.00 22.30 C ATOM 1069 NZ LYS A 76 2.273 10.544 8.295 1.00 54.30 N ATOM 0 H LYS A 76 5.355 10.295 3.006 1.00 51.50 H new ATOM 0 HA LYS A 76 4.787 11.762 5.316 1.00 34.30 H new ATOM 0 HB2 LYS A 76 5.210 9.220 4.912 1.00 12.10 H new ATOM 0 HB3 LYS A 76 6.907 9.607 5.113 1.00 12.10 H new ATOM 0 HG2 LYS A 76 6.409 9.081 7.288 1.00 1.45 H new ATOM 0 HG3 LYS A 76 6.033 10.792 7.339 1.00 1.45 H new ATOM 0 HD2 LYS A 76 3.855 8.880 6.521 1.00 15.30 H new ATOM 0 HD3 LYS A 76 4.302 8.952 8.214 1.00 15.30 H new ATOM 0 HE2 LYS A 76 4.089 11.561 7.897 1.00 22.30 H new ATOM 0 HE3 LYS A 76 3.165 11.141 6.468 1.00 22.30 H new ATOM 0 HZ1 LYS A 76 1.733 11.428 8.384 1.00 54.30 H new ATOM 0 HZ2 LYS A 76 1.675 9.816 7.854 1.00 54.30 H new ATOM 0 HZ3 LYS A 76 2.570 10.223 9.239 1.00 54.30 H new ATOM 1083 N GLU A 77 7.812 12.173 4.131 1.00 34.00 N ATOM 1084 CA GLU A 77 9.022 12.978 4.246 1.00 52.30 C ATOM 1085 C GLU A 77 8.726 14.439 3.931 1.00 74.10 C ATOM 1086 O GLU A 77 8.976 15.325 4.747 1.00 64.00 O ATOM 1087 CB GLU A 77 10.105 12.449 3.302 1.00 31.20 C ATOM 1088 CG GLU A 77 10.712 11.129 3.752 1.00 73.20 C ATOM 1089 CD GLU A 77 12.191 11.032 3.439 1.00 3.32 C ATOM 1090 OE1 GLU A 77 12.869 12.082 3.436 1.00 74.20 O ATOM 1091 OE2 GLU A 77 12.674 9.906 3.197 1.00 73.10 O ATOM 0 H GLU A 77 7.767 11.595 3.291 1.00 34.00 H new ATOM 0 HA GLU A 77 9.382 12.908 5.272 1.00 52.30 H new ATOM 0 HB2 GLU A 77 9.678 12.323 2.307 1.00 31.20 H new ATOM 0 HB3 GLU A 77 10.897 13.193 3.217 1.00 31.20 H new ATOM 0 HG2 GLU A 77 10.563 11.012 4.825 1.00 73.20 H new ATOM 0 HG3 GLU A 77 10.187 10.307 3.266 1.00 73.20 H new ATOM 1098 N TYR A 78 8.185 14.680 2.742 1.00 21.10 N ATOM 1099 CA TYR A 78 7.844 16.030 2.314 1.00 54.30 C ATOM 1100 C TYR A 78 6.852 16.669 3.285 1.00 65.30 C ATOM 1101 O TYR A 78 6.838 17.887 3.462 1.00 41.20 O ATOM 1102 CB TYR A 78 7.269 15.995 0.890 1.00 63.40 C ATOM 1103 CG TYR A 78 6.229 17.059 0.605 1.00 12.00 C ATOM 1104 CD1 TYR A 78 4.913 16.895 1.017 1.00 70.30 C ATOM 1105 CD2 TYR A 78 6.564 18.221 -0.078 1.00 71.50 C ATOM 1106 CE1 TYR A 78 3.959 17.860 0.759 1.00 13.20 C ATOM 1107 CE2 TYR A 78 5.616 19.191 -0.340 1.00 73.40 C ATOM 1108 CZ TYR A 78 4.315 19.006 0.080 1.00 64.20 C ATOM 1109 OH TYR A 78 3.368 19.971 -0.180 1.00 21.20 O ATOM 0 H TYR A 78 7.973 13.955 2.056 1.00 21.10 H new ATOM 0 HA TYR A 78 8.748 16.639 2.311 1.00 54.30 H new ATOM 0 HB2 TYR A 78 8.087 16.105 0.179 1.00 63.40 H new ATOM 0 HB3 TYR A 78 6.825 15.015 0.715 1.00 63.40 H new ATOM 0 HD1 TYR A 78 4.631 15.998 1.548 1.00 70.30 H new ATOM 0 HD2 TYR A 78 7.581 18.368 -0.409 1.00 71.50 H new ATOM 0 HE1 TYR A 78 2.940 17.718 1.087 1.00 13.20 H new ATOM 0 HE2 TYR A 78 5.892 20.090 -0.871 1.00 73.40 H new ATOM 0 HH TYR A 78 3.783 20.714 -0.665 1.00 21.20 H new ATOM 1119 N LEU A 79 6.024 15.837 3.910 1.00 63.10 N ATOM 1120 CA LEU A 79 5.029 16.319 4.860 1.00 14.30 C ATOM 1121 C LEU A 79 5.692 16.968 6.071 1.00 34.20 C ATOM 1122 O LEU A 79 5.476 18.147 6.352 1.00 53.00 O ATOM 1123 CB LEU A 79 4.130 15.167 5.316 1.00 74.20 C ATOM 1124 CG LEU A 79 2.987 14.819 4.360 1.00 42.20 C ATOM 1125 CD1 LEU A 79 2.506 13.397 4.600 1.00 43.40 C ATOM 1126 CD2 LEU A 79 1.840 15.805 4.521 1.00 20.30 C ATOM 0 H LEU A 79 6.023 14.826 3.775 1.00 63.10 H new ATOM 0 HA LEU A 79 4.423 17.072 4.356 1.00 14.30 H new ATOM 0 HB2 LEU A 79 4.747 14.280 5.459 1.00 74.20 H new ATOM 0 HB3 LEU A 79 3.706 15.420 6.288 1.00 74.20 H new ATOM 0 HG LEU A 79 3.359 14.888 3.338 1.00 42.20 H new ATOM 0 HD11 LEU A 79 1.693 13.167 3.911 1.00 43.40 H new ATOM 0 HD12 LEU A 79 3.329 12.702 4.435 1.00 43.40 H new ATOM 0 HD13 LEU A 79 2.150 13.301 5.626 1.00 43.40 H new ATOM 0 HD21 LEU A 79 1.036 15.543 3.834 1.00 20.30 H new ATOM 0 HD22 LEU A 79 1.469 15.767 5.545 1.00 20.30 H new ATOM 0 HD23 LEU A 79 2.192 16.812 4.300 1.00 20.30 H new ATOM 1138 N LYS A 80 6.497 16.189 6.789 1.00 62.40 N ATOM 1139 CA LYS A 80 7.186 16.689 7.974 1.00 51.00 C ATOM 1140 C LYS A 80 8.382 17.558 7.593 1.00 53.40 C ATOM 1141 O LYS A 80 8.616 18.606 8.197 1.00 73.20 O ATOM 1142 CB LYS A 80 7.646 15.524 8.853 1.00 33.40 C ATOM 1143 CG LYS A 80 8.593 14.564 8.149 1.00 53.10 C ATOM 1144 CD LYS A 80 10.046 14.918 8.418 1.00 2.22 C ATOM 1145 CE LYS A 80 10.972 14.291 7.389 1.00 52.00 C ATOM 1146 NZ LYS A 80 12.345 14.862 7.456 1.00 35.10 N ATOM 0 H LYS A 80 6.688 15.211 6.571 1.00 62.40 H new ATOM 0 HA LYS A 80 6.482 17.304 8.535 1.00 51.00 H new ATOM 0 HB2 LYS A 80 8.139 15.922 9.740 1.00 33.40 H new ATOM 0 HB3 LYS A 80 6.771 14.971 9.196 1.00 33.40 H new ATOM 0 HG2 LYS A 80 8.397 13.546 8.485 1.00 53.10 H new ATOM 0 HG3 LYS A 80 8.404 14.587 7.076 1.00 53.10 H new ATOM 0 HD2 LYS A 80 10.166 16.001 8.405 1.00 2.22 H new ATOM 0 HD3 LYS A 80 10.326 14.578 9.415 1.00 2.22 H new ATOM 0 HE2 LYS A 80 11.019 13.214 7.551 1.00 52.00 H new ATOM 0 HE3 LYS A 80 10.563 14.446 6.391 1.00 52.00 H new ATOM 0 HZ1 LYS A 80 12.922 14.470 6.684 1.00 35.10 H new ATOM 0 HZ2 LYS A 80 12.296 15.896 7.361 1.00 35.10 H new ATOM 0 HZ3 LYS A 80 12.778 14.619 8.370 1.00 35.10 H new ATOM 1160 N ASN A 81 9.137 17.118 6.594 1.00 43.50 N ATOM 1161 CA ASN A 81 10.310 17.857 6.139 1.00 73.30 C ATOM 1162 C ASN A 81 9.914 19.217 5.573 1.00 40.40 C ATOM 1163 O ASN A 81 10.208 20.256 6.163 1.00 74.00 O ATOM 1164 CB ASN A 81 11.069 17.053 5.082 1.00 73.40 C ATOM 1165 CG ASN A 81 12.360 17.727 4.659 1.00 73.10 C ATOM 1166 OD1 ASN A 81 12.384 18.924 4.374 1.00 72.50 O ATOM 1167 ND2 ASN A 81 13.442 16.959 4.617 1.00 34.40 N ATOM 0 H ASN A 81 8.959 16.253 6.083 1.00 43.50 H new ATOM 0 HA ASN A 81 10.960 18.018 6.999 1.00 73.30 H new ATOM 0 HB2 ASN A 81 11.292 16.061 5.475 1.00 73.40 H new ATOM 0 HB3 ASN A 81 10.432 16.914 4.209 1.00 73.40 H new ATOM 0 HD21 ASN A 81 14.339 17.357 4.340 1.00 34.40 H new ATOM 0 HD22 ASN A 81 13.376 15.971 4.862 1.00 34.40 H new ATOM 1175 N ASP B 116 9.054 -10.976 -1.445 1.00 3.14 N ATOM 1176 CA ASP B 116 7.868 -10.561 -0.698 1.00 41.40 C ATOM 1177 C ASP B 116 8.252 -9.988 0.663 1.00 30.20 C ATOM 1178 O ASP B 116 7.570 -9.120 1.198 1.00 43.50 O ATOM 1179 CB ASP B 116 6.919 -11.749 -0.515 1.00 5.30 C ATOM 1180 CG ASP B 116 7.554 -12.885 0.267 1.00 70.20 C ATOM 1181 OD1 ASP B 116 8.776 -13.084 0.129 1.00 72.10 O ATOM 1182 OD2 ASP B 116 6.824 -13.563 1.017 1.00 31.20 O ATOM 0 HA ASP B 116 7.363 -9.781 -1.268 1.00 41.40 H new ATOM 0 HB2 ASP B 116 6.019 -11.415 0.002 1.00 5.30 H new ATOM 0 HB3 ASP B 116 6.607 -12.115 -1.493 1.00 5.30 H new ATOM 1187 N GLU B 117 9.353 -10.488 1.219 1.00 3.43 N ATOM 1188 CA GLU B 117 9.829 -10.028 2.518 1.00 25.20 C ATOM 1189 C GLU B 117 10.123 -8.530 2.490 1.00 10.20 C ATOM 1190 O GLU B 117 9.972 -7.837 3.497 1.00 54.30 O ATOM 1191 CB GLU B 117 11.087 -10.800 2.927 1.00 53.20 C ATOM 1192 CG GLU B 117 11.200 -11.025 4.425 1.00 62.20 C ATOM 1193 CD GLU B 117 11.730 -12.408 4.767 1.00 3.45 C ATOM 1194 OE1 GLU B 117 11.018 -13.397 4.500 1.00 74.30 O ATOM 1195 OE2 GLU B 117 12.853 -12.492 5.303 1.00 13.50 O ATOM 0 H GLU B 117 9.931 -11.211 0.790 1.00 3.43 H new ATOM 0 HA GLU B 117 9.044 -10.212 3.251 1.00 25.20 H new ATOM 0 HB2 GLU B 117 11.092 -11.766 2.421 1.00 53.20 H new ATOM 0 HB3 GLU B 117 11.966 -10.255 2.582 1.00 53.20 H new ATOM 0 HG2 GLU B 117 11.859 -10.270 4.854 1.00 62.20 H new ATOM 0 HG3 GLU B 117 10.221 -10.891 4.884 1.00 62.20 H new ATOM 1202 N GLU B 118 10.546 -8.043 1.330 1.00 10.20 N ATOM 1203 CA GLU B 118 10.862 -6.628 1.170 1.00 23.10 C ATOM 1204 C GLU B 118 9.600 -5.776 1.259 1.00 34.50 C ATOM 1205 O GLU B 118 9.613 -4.687 1.831 1.00 14.40 O ATOM 1206 CB GLU B 118 11.561 -6.387 -0.170 1.00 22.40 C ATOM 1207 CG GLU B 118 13.026 -6.772 -0.169 1.00 22.40 C ATOM 1208 CD GLU B 118 13.942 -5.599 0.116 1.00 1.02 C ATOM 1209 OE1 GLU B 118 13.615 -4.475 -0.311 1.00 14.10 O ATOM 1210 OE2 GLU B 118 14.989 -5.809 0.767 1.00 54.10 O ATOM 0 H GLU B 118 10.678 -8.604 0.489 1.00 10.20 H new ATOM 0 HA GLU B 118 11.533 -6.338 1.978 1.00 23.10 H new ATOM 0 HB2 GLU B 118 11.046 -6.953 -0.946 1.00 22.40 H new ATOM 0 HB3 GLU B 118 11.471 -5.333 -0.432 1.00 22.40 H new ATOM 0 HG2 GLU B 118 13.193 -7.547 0.579 1.00 22.40 H new ATOM 0 HG3 GLU B 118 13.284 -7.202 -1.137 1.00 22.40 H new ATOM 1217 N ILE B 119 8.511 -6.282 0.688 1.00 74.40 N ATOM 1218 CA ILE B 119 7.240 -5.568 0.704 1.00 52.40 C ATOM 1219 C ILE B 119 6.653 -5.524 2.111 1.00 25.20 C ATOM 1220 O ILE B 119 6.266 -4.463 2.600 1.00 64.10 O ATOM 1221 CB ILE B 119 6.218 -6.219 -0.248 1.00 24.30 C ATOM 1222 CG1 ILE B 119 6.835 -6.419 -1.634 1.00 72.10 C ATOM 1223 CG2 ILE B 119 4.960 -5.369 -0.339 1.00 63.30 C ATOM 1224 CD1 ILE B 119 5.883 -7.036 -2.637 1.00 64.30 C ATOM 0 H ILE B 119 8.484 -7.182 0.209 1.00 74.40 H new ATOM 0 HA ILE B 119 7.443 -4.552 0.366 1.00 52.40 H new ATOM 0 HB ILE B 119 5.943 -7.195 0.151 1.00 24.30 H new ATOM 0 HG12 ILE B 119 7.176 -5.456 -2.014 1.00 72.10 H new ATOM 0 HG13 ILE B 119 7.716 -7.055 -1.542 1.00 72.10 H new ATOM 0 HG21 ILE B 119 4.249 -5.843 -1.015 1.00 63.30 H new ATOM 0 HG22 ILE B 119 4.512 -5.275 0.650 1.00 63.30 H new ATOM 0 HG23 ILE B 119 5.216 -4.379 -0.717 1.00 63.30 H new ATOM 0 HD11 ILE B 119 6.388 -7.148 -3.596 1.00 64.30 H new ATOM 0 HD12 ILE B 119 5.562 -8.014 -2.279 1.00 64.30 H new ATOM 0 HD13 ILE B 119 5.013 -6.390 -2.758 1.00 64.30 H new ATOM 1236 N GLU B 120 6.586 -6.680 2.756 1.00 40.30 N ATOM 1237 CA GLU B 120 6.045 -6.773 4.107 1.00 14.20 C ATOM 1238 C GLU B 120 6.846 -5.909 5.074 1.00 54.20 C ATOM 1239 O GLU B 120 6.276 -5.205 5.908 1.00 40.30 O ATOM 1240 CB GLU B 120 6.054 -8.226 4.584 1.00 20.10 C ATOM 1241 CG GLU B 120 5.222 -8.459 5.835 1.00 21.10 C ATOM 1242 CD GLU B 120 5.875 -9.446 6.789 1.00 0.10 C ATOM 1243 OE1 GLU B 120 5.959 -10.638 6.441 1.00 3.20 O ATOM 1244 OE2 GLU B 120 6.299 -9.019 7.884 1.00 44.30 O ATOM 0 H GLU B 120 6.900 -7.569 2.366 1.00 40.30 H new ATOM 0 HA GLU B 120 5.018 -6.409 4.084 1.00 14.20 H new ATOM 0 HB2 GLU B 120 5.680 -8.865 3.784 1.00 20.10 H new ATOM 0 HB3 GLU B 120 7.082 -8.530 4.780 1.00 20.10 H new ATOM 0 HG2 GLU B 120 5.068 -7.510 6.348 1.00 21.10 H new ATOM 0 HG3 GLU B 120 4.238 -8.830 5.550 1.00 21.10 H new ATOM 1251 N ARG B 121 8.164 -5.956 4.958 1.00 4.34 N ATOM 1252 CA ARG B 121 9.043 -5.179 5.821 1.00 22.40 C ATOM 1253 C ARG B 121 8.808 -3.689 5.629 1.00 41.30 C ATOM 1254 O ARG B 121 8.900 -2.908 6.577 1.00 10.40 O ATOM 1255 CB ARG B 121 10.508 -5.516 5.535 1.00 61.50 C ATOM 1256 CG ARG B 121 11.480 -4.912 6.535 1.00 34.10 C ATOM 1257 CD ARG B 121 12.867 -4.747 5.937 1.00 73.30 C ATOM 1258 NE ARG B 121 13.738 -5.877 6.260 1.00 53.10 N ATOM 1259 CZ ARG B 121 14.153 -6.158 7.491 1.00 62.10 C ATOM 1260 NH1 ARG B 121 13.784 -5.407 8.518 1.00 1.02 N ATOM 1261 NH2 ARG B 121 14.946 -7.207 7.698 1.00 54.30 N ATOM 0 H ARG B 121 8.652 -6.528 4.269 1.00 4.34 H new ATOM 0 HA ARG B 121 8.815 -5.437 6.855 1.00 22.40 H new ATOM 0 HB2 ARG B 121 10.629 -6.599 5.533 1.00 61.50 H new ATOM 0 HB3 ARG B 121 10.764 -5.165 4.535 1.00 61.50 H new ATOM 0 HG2 ARG B 121 11.108 -3.942 6.865 1.00 34.10 H new ATOM 0 HG3 ARG B 121 11.537 -5.549 7.418 1.00 34.10 H new ATOM 0 HD2 ARG B 121 12.786 -4.649 4.854 1.00 73.30 H new ATOM 0 HD3 ARG B 121 13.315 -3.825 6.308 1.00 73.30 H new ATOM 0 HE ARG B 121 14.044 -6.483 5.498 1.00 53.10 H new ATOM 0 HH11 ARG B 121 13.175 -4.603 8.369 1.00 1.02 H new ATOM 0 HH12 ARG B 121 14.109 -5.633 9.458 1.00 1.02 H new ATOM 0 HH21 ARG B 121 15.233 -7.792 6.913 1.00 54.30 H new ATOM 0 HH22 ARG B 121 15.267 -7.426 8.641 1.00 54.30 H new ATOM 1275 N GLN B 122 8.502 -3.297 4.396 1.00 24.10 N ATOM 1276 CA GLN B 122 8.250 -1.896 4.080 1.00 24.40 C ATOM 1277 C GLN B 122 7.067 -1.361 4.880 1.00 23.40 C ATOM 1278 O GLN B 122 7.117 -0.254 5.416 1.00 31.40 O ATOM 1279 CB GLN B 122 7.984 -1.729 2.582 1.00 72.10 C ATOM 1280 CG GLN B 122 9.247 -1.528 1.759 1.00 25.20 C ATOM 1281 CD GLN B 122 9.036 -0.587 0.590 1.00 44.10 C ATOM 1282 OE1 GLN B 122 9.639 0.484 0.523 1.00 65.30 O ATOM 1283 NE2 GLN B 122 8.176 -0.984 -0.341 1.00 13.30 N ATOM 0 H GLN B 122 8.423 -3.930 3.600 1.00 24.10 H new ATOM 0 HA GLN B 122 9.137 -1.324 4.351 1.00 24.40 H new ATOM 0 HB2 GLN B 122 7.457 -2.610 2.215 1.00 72.10 H new ATOM 0 HB3 GLN B 122 7.323 -0.876 2.432 1.00 72.10 H new ATOM 0 HG2 GLN B 122 10.035 -1.134 2.400 1.00 25.20 H new ATOM 0 HG3 GLN B 122 9.591 -2.493 1.387 1.00 25.20 H new ATOM 0 HE21 GLN B 122 7.698 -1.880 -0.245 1.00 13.30 H new ATOM 0 HE22 GLN B 122 7.993 -0.393 -1.152 1.00 13.30 H new ATOM 1292 N LEU B 123 6.004 -2.155 4.956 1.00 32.40 N ATOM 1293 CA LEU B 123 4.807 -1.761 5.692 1.00 53.00 C ATOM 1294 C LEU B 123 5.128 -1.518 7.163 1.00 3.00 C ATOM 1295 O LEU B 123 4.702 -0.521 7.745 1.00 65.40 O ATOM 1296 CB LEU B 123 3.727 -2.836 5.564 1.00 75.30 C ATOM 1297 CG LEU B 123 2.976 -2.845 4.232 1.00 42.10 C ATOM 1298 CD1 LEU B 123 3.699 -3.718 3.217 1.00 21.10 C ATOM 1299 CD2 LEU B 123 1.547 -3.326 4.430 1.00 73.30 C ATOM 0 H LEU B 123 5.946 -3.074 4.518 1.00 32.40 H new ATOM 0 HA LEU B 123 4.436 -0.831 5.262 1.00 53.00 H new ATOM 0 HB2 LEU B 123 4.189 -3.812 5.710 1.00 75.30 H new ATOM 0 HB3 LEU B 123 3.005 -2.702 6.370 1.00 75.30 H new ATOM 0 HG LEU B 123 2.945 -1.826 3.847 1.00 42.10 H new ATOM 0 HD11 LEU B 123 3.150 -3.712 2.275 1.00 21.10 H new ATOM 0 HD12 LEU B 123 4.704 -3.329 3.053 1.00 21.10 H new ATOM 0 HD13 LEU B 123 3.762 -4.739 3.594 1.00 21.10 H new ATOM 0 HD21 LEU B 123 1.027 -3.326 3.472 1.00 73.30 H new ATOM 0 HD22 LEU B 123 1.557 -4.337 4.838 1.00 73.30 H new ATOM 0 HD23 LEU B 123 1.032 -2.660 5.122 1.00 73.30 H new ATOM 1311 N LYS B 124 5.882 -2.436 7.758 1.00 75.40 N ATOM 1312 CA LYS B 124 6.260 -2.322 9.162 1.00 55.30 C ATOM 1313 C LYS B 124 7.057 -1.046 9.409 1.00 63.50 C ATOM 1314 O LYS B 124 6.991 -0.459 10.489 1.00 11.40 O ATOM 1315 CB LYS B 124 7.080 -3.540 9.591 1.00 34.20 C ATOM 1316 CG LYS B 124 6.947 -3.873 11.069 1.00 3.01 C ATOM 1317 CD LYS B 124 7.537 -5.238 11.388 1.00 33.10 C ATOM 1318 CE LYS B 124 6.475 -6.325 11.353 1.00 34.10 C ATOM 1319 NZ LYS B 124 7.055 -7.654 11.060 1.00 52.00 N ATOM 0 H LYS B 124 6.243 -3.267 7.290 1.00 75.40 H new ATOM 0 HA LYS B 124 5.347 -2.279 9.756 1.00 55.30 H new ATOM 0 HB2 LYS B 124 6.768 -4.403 9.003 1.00 34.20 H new ATOM 0 HB3 LYS B 124 8.130 -3.360 9.361 1.00 34.20 H new ATOM 0 HG2 LYS B 124 7.451 -3.110 11.662 1.00 3.01 H new ATOM 0 HG3 LYS B 124 5.895 -3.854 11.354 1.00 3.01 H new ATOM 0 HD2 LYS B 124 8.323 -5.473 10.670 1.00 33.10 H new ATOM 0 HD3 LYS B 124 8.002 -5.213 12.374 1.00 33.10 H new ATOM 0 HE2 LYS B 124 5.958 -6.358 12.312 1.00 34.10 H new ATOM 0 HE3 LYS B 124 5.729 -6.080 10.597 1.00 34.10 H new ATOM 0 HZ1 LYS B 124 6.298 -8.367 11.045 1.00 52.00 H new ATOM 0 HZ2 LYS B 124 7.527 -7.630 10.134 1.00 52.00 H new ATOM 0 HZ3 LYS B 124 7.748 -7.900 11.795 1.00 52.00 H new ATOM 1333 N ALA B 125 7.811 -0.621 8.401 1.00 24.50 N ATOM 1334 CA ALA B 125 8.622 0.587 8.508 1.00 21.00 C ATOM 1335 C ALA B 125 7.747 1.836 8.515 1.00 1.24 C ATOM 1336 O ALA B 125 7.843 2.667 9.419 1.00 13.50 O ATOM 1337 CB ALA B 125 9.627 0.650 7.368 1.00 0.01 C ATOM 0 H ALA B 125 7.878 -1.095 7.500 1.00 24.50 H new ATOM 0 HA ALA B 125 9.164 0.550 9.453 1.00 21.00 H new ATOM 0 HB1 ALA B 125 10.225 1.556 7.460 1.00 0.01 H new ATOM 0 HB2 ALA B 125 10.280 -0.222 7.410 1.00 0.01 H new ATOM 0 HB3 ALA B 125 9.097 0.661 6.416 1.00 0.01 H new ATOM 1343 N LEU B 126 6.895 1.961 7.503 1.00 45.40 N ATOM 1344 CA LEU B 126 6.003 3.109 7.393 1.00 1.33 C ATOM 1345 C LEU B 126 4.981 3.115 8.526 1.00 51.30 C ATOM 1346 O LEU B 126 4.600 4.173 9.026 1.00 10.40 O ATOM 1347 CB LEU B 126 5.284 3.096 6.042 1.00 33.00 C ATOM 1348 CG LEU B 126 6.042 3.771 4.899 1.00 32.00 C ATOM 1349 CD1 LEU B 126 6.962 2.776 4.207 1.00 24.10 C ATOM 1350 CD2 LEU B 126 5.068 4.380 3.903 1.00 15.40 C ATOM 0 H LEU B 126 6.804 1.282 6.748 1.00 45.40 H new ATOM 0 HA LEU B 126 6.606 4.014 7.467 1.00 1.33 H new ATOM 0 HB2 LEU B 126 5.084 2.061 5.764 1.00 33.00 H new ATOM 0 HB3 LEU B 126 4.318 3.587 6.157 1.00 33.00 H new ATOM 0 HG LEU B 126 6.654 4.571 5.316 1.00 32.00 H new ATOM 0 HD11 LEU B 126 7.493 3.275 3.396 1.00 24.10 H new ATOM 0 HD12 LEU B 126 7.682 2.385 4.926 1.00 24.10 H new ATOM 0 HD13 LEU B 126 6.371 1.954 3.802 1.00 24.10 H new ATOM 0 HD21 LEU B 126 5.624 4.857 3.096 1.00 15.40 H new ATOM 0 HD22 LEU B 126 4.431 3.597 3.492 1.00 15.40 H new ATOM 0 HD23 LEU B 126 4.450 5.124 4.406 1.00 15.40 H new