USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 634 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 33 THR OG1 : rot 70:sc= 0.263 USER MOD Set 1.2: A 38 LYS NZ :NH3+ -122:sc= 0.209 (180deg=-0.0123) USER MOD Single : A 1 MET CE :methyl 153:sc= -0.0222 (180deg=-0.175) USER MOD Single : A 1 MET N :NH3+ -174:sc= -0.397 (180deg=-0.44) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot -96:sc= 0.136 USER MOD Single : A 16 LYS NZ :NH3+ 169:sc= -1.84 (180deg=-2.08!) USER MOD Single : A 24 GLN : amide:sc= 0.429 X(o=0.43,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -157:sc= 0.0927 (180deg=-0.394) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 42 GLN : amide:sc= 0.192 X(o=0.19,f=-0.077) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.0145 USER MOD Single : A 45 LYS NZ :NH3+ -177:sc= 0.415 (180deg=0.398) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl 166:sc= -0.134 (180deg=-0.455) USER MOD Single : A 52 LYS NZ :NH3+ -152:sc= -1.03 (180deg=-2.75!) USER MOD Single : A 55 LYS NZ :NH3+ -165:sc= -0.0396 (180deg=-0.262) USER MOD Single : A 56 LYS NZ :NH3+ -160:sc= -0.0832 (180deg=-0.422) USER MOD Single : A 58 LYS NZ :NH3+ -113:sc= -0.94 (180deg=-3.5!) USER MOD Single : A 60 ASN : amide:sc= -0.271 X(o=-0.27,f=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 176:sc= 0.679 (180deg=0.671) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HD1:sc= -0.0377 X(o=-0.038,f=0) USER MOD Single : A 73 HIS : no HD1:sc= -1.04 K(o=-1,f=-3.5) USER MOD Single : A 74 HIS : no HD1:sc= -0.178 X(o=-0.18,f=0) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 76 HIS : no HD1:sc=-0.00366 X(o=-0.0037,f=0) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.275 12.104 -5.413 1.00 11.30 N ATOM 2 CA MET A 1 0.953 12.892 -5.647 1.00 10.12 C ATOM 3 C MET A 1 2.164 11.957 -5.637 1.00 2.41 C ATOM 4 O MET A 1 2.912 11.878 -6.617 1.00 41.23 O ATOM 5 CB MET A 1 1.104 14.013 -4.585 1.00 44.42 C ATOM 6 CG MET A 1 0.002 15.086 -4.600 1.00 53.01 C ATOM 7 SD MET A 1 -0.043 16.060 -6.137 1.00 71.13 S ATOM 8 CE MET A 1 -1.313 15.247 -7.110 1.00 13.40 C ATOM 0 H1 MET A 1 -1.107 12.718 -5.520 1.00 11.30 H new ATOM 0 H2 MET A 1 -0.326 11.328 -6.103 1.00 11.30 H new ATOM 0 H3 MET A 1 -0.257 11.710 -4.451 1.00 11.30 H new ATOM 0 HA MET A 1 0.887 13.376 -6.621 1.00 10.12 H new ATOM 0 HB2 MET A 1 1.127 13.554 -3.597 1.00 44.42 H new ATOM 0 HB3 MET A 1 2.067 14.503 -4.732 1.00 44.42 H new ATOM 0 HG2 MET A 1 -0.965 14.604 -4.456 1.00 53.01 H new ATOM 0 HG3 MET A 1 0.151 15.760 -3.756 1.00 53.01 H new ATOM 0 HE1 MET A 1 -1.761 15.965 -7.796 1.00 13.40 H new ATOM 0 HE2 MET A 1 -0.869 14.430 -7.679 1.00 13.40 H new ATOM 0 HE3 MET A 1 -2.082 14.851 -6.447 1.00 13.40 H new ATOM 20 N VAL A 2 2.380 11.278 -4.496 1.00 42.41 N ATOM 21 CA VAL A 2 3.361 10.188 -4.399 1.00 41.35 C ATOM 22 C VAL A 2 2.588 8.870 -4.532 1.00 34.44 C ATOM 23 O VAL A 2 1.813 8.503 -3.641 1.00 34.25 O ATOM 24 CB VAL A 2 4.169 10.224 -3.049 1.00 13.02 C ATOM 25 CG1 VAL A 2 5.324 9.191 -3.061 1.00 44.33 C ATOM 26 CG2 VAL A 2 4.706 11.642 -2.759 1.00 45.10 C ATOM 0 H VAL A 2 1.884 11.468 -3.625 1.00 42.41 H new ATOM 0 HA VAL A 2 4.101 10.295 -5.192 1.00 41.35 H new ATOM 0 HB VAL A 2 3.483 9.953 -2.247 1.00 13.02 H new ATOM 0 HG11 VAL A 2 5.865 9.239 -2.116 1.00 44.33 H new ATOM 0 HG12 VAL A 2 4.915 8.190 -3.195 1.00 44.33 H new ATOM 0 HG13 VAL A 2 6.006 9.417 -3.881 1.00 44.33 H new ATOM 0 HG21 VAL A 2 5.260 11.636 -1.820 1.00 45.10 H new ATOM 0 HG22 VAL A 2 5.366 11.953 -3.568 1.00 45.10 H new ATOM 0 HG23 VAL A 2 3.871 12.339 -2.683 1.00 45.10 H new ATOM 36 N ASP A 3 2.783 8.184 -5.655 1.00 55.51 N ATOM 37 CA ASP A 3 2.003 6.994 -6.018 1.00 54.31 C ATOM 38 C ASP A 3 2.844 5.732 -5.761 1.00 33.03 C ATOM 39 O ASP A 3 3.944 5.579 -6.304 1.00 71.42 O ATOM 40 CB ASP A 3 1.547 7.092 -7.499 1.00 31.35 C ATOM 41 CG ASP A 3 0.584 8.275 -7.766 1.00 10.32 C ATOM 42 OD1 ASP A 3 1.038 9.444 -7.774 1.00 2.04 O ATOM 43 OD2 ASP A 3 -0.629 8.046 -7.982 1.00 63.23 O ATOM 0 H ASP A 3 3.490 8.436 -6.346 1.00 55.51 H new ATOM 0 HA ASP A 3 1.106 6.933 -5.401 1.00 54.31 H new ATOM 0 HB2 ASP A 3 2.425 7.196 -8.136 1.00 31.35 H new ATOM 0 HB3 ASP A 3 1.056 6.161 -7.783 1.00 31.35 H new ATOM 48 N LEU A 4 2.330 4.862 -4.878 1.00 61.21 N ATOM 49 CA LEU A 4 2.959 3.591 -4.516 1.00 72.24 C ATOM 50 C LEU A 4 2.136 2.453 -5.128 1.00 13.44 C ATOM 51 O LEU A 4 0.975 2.269 -4.763 1.00 31.53 O ATOM 52 CB LEU A 4 3.013 3.449 -2.969 1.00 12.45 C ATOM 53 CG LEU A 4 3.735 4.597 -2.196 1.00 42.10 C ATOM 54 CD1 LEU A 4 3.639 4.384 -0.678 1.00 52.45 C ATOM 55 CD2 LEU A 4 5.203 4.747 -2.644 1.00 11.15 C ATOM 0 H LEU A 4 1.450 5.029 -4.389 1.00 61.21 H new ATOM 0 HA LEU A 4 3.979 3.554 -4.897 1.00 72.24 H new ATOM 0 HB2 LEU A 4 1.992 3.375 -2.596 1.00 12.45 H new ATOM 0 HB3 LEU A 4 3.510 2.509 -2.728 1.00 12.45 H new ATOM 0 HG LEU A 4 3.223 5.528 -2.439 1.00 42.10 H new ATOM 0 HD11 LEU A 4 4.150 5.198 -0.163 1.00 52.45 H new ATOM 0 HD12 LEU A 4 2.591 4.367 -0.379 1.00 52.45 H new ATOM 0 HD13 LEU A 4 4.108 3.436 -0.413 1.00 52.45 H new ATOM 0 HD21 LEU A 4 5.673 5.556 -2.084 1.00 11.15 H new ATOM 0 HD22 LEU A 4 5.738 3.816 -2.456 1.00 11.15 H new ATOM 0 HD23 LEU A 4 5.237 4.976 -3.709 1.00 11.15 H new ATOM 67 N LYS A 5 2.718 1.733 -6.097 1.00 20.01 N ATOM 68 CA LYS A 5 2.103 0.537 -6.679 1.00 42.41 C ATOM 69 C LYS A 5 2.802 -0.694 -6.107 1.00 71.25 C ATOM 70 O LYS A 5 3.983 -0.914 -6.384 1.00 45.45 O ATOM 71 CB LYS A 5 2.201 0.530 -8.220 1.00 60.30 C ATOM 72 CG LYS A 5 1.576 1.755 -8.917 1.00 43.22 C ATOM 73 CD LYS A 5 1.469 1.567 -10.448 1.00 3.12 C ATOM 74 CE LYS A 5 2.818 1.237 -11.112 1.00 62.14 C ATOM 75 NZ LYS A 5 2.658 0.879 -12.542 1.00 15.54 N ATOM 0 H LYS A 5 3.627 1.965 -6.497 1.00 20.01 H new ATOM 0 HA LYS A 5 1.043 0.531 -6.424 1.00 42.41 H new ATOM 0 HB2 LYS A 5 3.252 0.467 -8.502 1.00 60.30 H new ATOM 0 HB3 LYS A 5 1.715 -0.370 -8.596 1.00 60.30 H new ATOM 0 HG2 LYS A 5 0.583 1.938 -8.505 1.00 43.22 H new ATOM 0 HG3 LYS A 5 2.177 2.638 -8.703 1.00 43.22 H new ATOM 0 HD2 LYS A 5 0.761 0.766 -10.661 1.00 3.12 H new ATOM 0 HD3 LYS A 5 1.065 2.477 -10.892 1.00 3.12 H new ATOM 0 HE2 LYS A 5 3.485 2.095 -11.025 1.00 62.14 H new ATOM 0 HE3 LYS A 5 3.291 0.411 -10.582 1.00 62.14 H new ATOM 0 HZ1 LYS A 5 3.589 0.664 -12.952 1.00 15.54 H new ATOM 0 HZ2 LYS A 5 2.042 0.045 -12.624 1.00 15.54 H new ATOM 0 HZ3 LYS A 5 2.230 1.677 -13.054 1.00 15.54 H new ATOM 89 N ILE A 6 2.088 -1.483 -5.303 1.00 63.44 N ATOM 90 CA ILE A 6 2.670 -2.669 -4.660 1.00 42.35 C ATOM 91 C ILE A 6 2.234 -3.924 -5.422 1.00 72.35 C ATOM 92 O ILE A 6 1.048 -4.252 -5.429 1.00 70.53 O ATOM 93 CB ILE A 6 2.231 -2.816 -3.158 1.00 45.21 C ATOM 94 CG1 ILE A 6 2.387 -1.469 -2.369 1.00 33.23 C ATOM 95 CG2 ILE A 6 3.012 -3.967 -2.479 1.00 44.31 C ATOM 96 CD1 ILE A 6 3.792 -0.908 -2.314 1.00 45.13 C ATOM 0 H ILE A 6 1.105 -1.325 -5.080 1.00 63.44 H new ATOM 0 HA ILE A 6 3.753 -2.550 -4.683 1.00 42.35 H new ATOM 0 HB ILE A 6 1.170 -3.066 -3.141 1.00 45.21 H new ATOM 0 HG12 ILE A 6 1.734 -0.724 -2.823 1.00 33.23 H new ATOM 0 HG13 ILE A 6 2.035 -1.622 -1.349 1.00 33.23 H new ATOM 0 HG21 ILE A 6 2.697 -4.057 -1.439 1.00 44.31 H new ATOM 0 HG22 ILE A 6 2.809 -4.902 -3.001 1.00 44.31 H new ATOM 0 HG23 ILE A 6 4.080 -3.754 -2.518 1.00 44.31 H new ATOM 0 HD11 ILE A 6 3.790 0.023 -1.747 1.00 45.13 H new ATOM 0 HD12 ILE A 6 4.452 -1.627 -1.829 1.00 45.13 H new ATOM 0 HD13 ILE A 6 4.147 -0.715 -3.326 1.00 45.13 H new ATOM 108 N ASP A 7 3.189 -4.603 -6.070 1.00 73.35 N ATOM 109 CA ASP A 7 2.949 -5.923 -6.668 1.00 24.21 C ATOM 110 C ASP A 7 2.631 -6.927 -5.549 1.00 64.43 C ATOM 111 O ASP A 7 3.436 -7.124 -4.635 1.00 1.35 O ATOM 112 CB ASP A 7 4.181 -6.383 -7.485 1.00 14.02 C ATOM 113 CG ASP A 7 4.082 -7.830 -7.999 1.00 23.01 C ATOM 114 OD1 ASP A 7 3.142 -8.141 -8.759 1.00 50.22 O ATOM 115 OD2 ASP A 7 4.940 -8.675 -7.648 1.00 33.21 O ATOM 0 H ASP A 7 4.141 -4.258 -6.194 1.00 73.35 H new ATOM 0 HA ASP A 7 2.102 -5.865 -7.352 1.00 24.21 H new ATOM 0 HB2 ASP A 7 4.312 -5.714 -8.335 1.00 14.02 H new ATOM 0 HB3 ASP A 7 5.072 -6.288 -6.865 1.00 14.02 H new ATOM 120 N VAL A 8 1.439 -7.537 -5.619 1.00 42.14 N ATOM 121 CA VAL A 8 0.964 -8.513 -4.628 1.00 64.51 C ATOM 122 C VAL A 8 0.726 -9.867 -5.317 1.00 3.03 C ATOM 123 O VAL A 8 0.263 -9.922 -6.471 1.00 53.42 O ATOM 124 CB VAL A 8 -0.352 -8.037 -3.886 1.00 63.21 C ATOM 125 CG1 VAL A 8 -0.065 -6.841 -2.955 1.00 0.24 C ATOM 126 CG2 VAL A 8 -1.492 -7.698 -4.878 1.00 32.32 C ATOM 0 H VAL A 8 0.772 -7.365 -6.371 1.00 42.14 H new ATOM 0 HA VAL A 8 1.737 -8.611 -3.865 1.00 64.51 H new ATOM 0 HB VAL A 8 -0.691 -8.874 -3.276 1.00 63.21 H new ATOM 0 HG11 VAL A 8 -0.987 -6.536 -2.459 1.00 0.24 H new ATOM 0 HG12 VAL A 8 0.671 -7.132 -2.205 1.00 0.24 H new ATOM 0 HG13 VAL A 8 0.324 -6.009 -3.541 1.00 0.24 H new ATOM 0 HG21 VAL A 8 -2.373 -7.377 -4.323 1.00 32.32 H new ATOM 0 HG22 VAL A 8 -1.170 -6.897 -5.543 1.00 32.32 H new ATOM 0 HG23 VAL A 8 -1.736 -8.582 -5.467 1.00 32.32 H new ATOM 136 N SER A 9 1.069 -10.945 -4.603 1.00 3.22 N ATOM 137 CA SER A 9 0.889 -12.323 -5.059 1.00 70.14 C ATOM 138 C SER A 9 -0.606 -12.685 -5.125 1.00 1.14 C ATOM 139 O SER A 9 -1.087 -13.185 -6.144 1.00 70.54 O ATOM 140 CB SER A 9 1.648 -13.281 -4.100 1.00 41.21 C ATOM 141 OG SER A 9 1.451 -14.651 -4.442 1.00 41.12 O ATOM 0 H SER A 9 1.487 -10.880 -3.675 1.00 3.22 H new ATOM 0 HA SER A 9 1.297 -12.426 -6.065 1.00 70.14 H new ATOM 0 HB2 SER A 9 2.713 -13.051 -4.127 1.00 41.21 H new ATOM 0 HB3 SER A 9 1.311 -13.111 -3.077 1.00 41.21 H new ATOM 0 HG SER A 9 0.729 -15.024 -3.894 1.00 41.12 H new ATOM 147 N ASP A 10 -1.331 -12.400 -4.033 1.00 10.22 N ATOM 148 CA ASP A 10 -2.726 -12.853 -3.850 1.00 42.53 C ATOM 149 C ASP A 10 -3.710 -11.677 -3.729 1.00 23.22 C ATOM 150 O ASP A 10 -3.310 -10.511 -3.602 1.00 71.45 O ATOM 151 CB ASP A 10 -2.818 -13.738 -2.582 1.00 43.42 C ATOM 152 CG ASP A 10 -2.033 -15.051 -2.693 1.00 42.45 C ATOM 153 OD1 ASP A 10 -0.831 -15.077 -2.344 1.00 13.34 O ATOM 154 OD2 ASP A 10 -2.606 -16.061 -3.144 1.00 41.02 O ATOM 0 H ASP A 10 -0.972 -11.851 -3.252 1.00 10.22 H new ATOM 0 HA ASP A 10 -3.006 -13.425 -4.735 1.00 42.53 H new ATOM 0 HB2 ASP A 10 -2.447 -13.173 -1.727 1.00 43.42 H new ATOM 0 HB3 ASP A 10 -3.865 -13.966 -2.383 1.00 43.42 H new ATOM 159 N ASP A 11 -5.005 -12.034 -3.699 1.00 45.53 N ATOM 160 CA ASP A 11 -6.117 -11.078 -3.530 1.00 23.33 C ATOM 161 C ASP A 11 -6.340 -10.831 -2.027 1.00 32.21 C ATOM 162 O ASP A 11 -6.632 -9.712 -1.611 1.00 44.12 O ATOM 163 CB ASP A 11 -7.414 -11.608 -4.202 1.00 72.35 C ATOM 164 CG ASP A 11 -7.986 -12.872 -3.533 1.00 33.32 C ATOM 165 OD1 ASP A 11 -7.416 -13.963 -3.723 1.00 2.12 O ATOM 166 OD2 ASP A 11 -8.992 -12.778 -2.799 1.00 54.32 O ATOM 0 H ASP A 11 -5.314 -13.002 -3.792 1.00 45.53 H new ATOM 0 HA ASP A 11 -5.860 -10.138 -4.018 1.00 23.33 H new ATOM 0 HB2 ASP A 11 -8.170 -10.823 -4.182 1.00 72.35 H new ATOM 0 HB3 ASP A 11 -7.207 -11.824 -5.250 1.00 72.35 H new ATOM 171 N GLU A 12 -6.173 -11.908 -1.227 1.00 52.33 N ATOM 172 CA GLU A 12 -6.318 -11.887 0.239 1.00 55.20 C ATOM 173 C GLU A 12 -5.182 -11.047 0.862 1.00 12.23 C ATOM 174 O GLU A 12 -5.370 -10.361 1.879 1.00 23.25 O ATOM 175 CB GLU A 12 -6.333 -13.361 0.755 1.00 73.03 C ATOM 176 CG GLU A 12 -6.685 -13.584 2.255 1.00 1.13 C ATOM 177 CD GLU A 12 -5.516 -13.347 3.230 1.00 74.25 C ATOM 178 OE1 GLU A 12 -4.503 -14.067 3.146 1.00 71.33 O ATOM 179 OE2 GLU A 12 -5.603 -12.452 4.095 1.00 5.40 O ATOM 0 H GLU A 12 -5.930 -12.829 -1.592 1.00 52.33 H new ATOM 0 HA GLU A 12 -7.255 -11.416 0.536 1.00 55.20 H new ATOM 0 HB2 GLU A 12 -7.047 -13.923 0.153 1.00 73.03 H new ATOM 0 HB3 GLU A 12 -5.350 -13.794 0.570 1.00 73.03 H new ATOM 0 HG2 GLU A 12 -7.506 -12.920 2.525 1.00 1.13 H new ATOM 0 HG3 GLU A 12 -7.046 -14.605 2.382 1.00 1.13 H new ATOM 186 N GLU A 13 -3.996 -11.124 0.236 1.00 42.11 N ATOM 187 CA GLU A 13 -2.843 -10.294 0.597 1.00 3.21 C ATOM 188 C GLU A 13 -3.144 -8.818 0.325 1.00 12.53 C ATOM 189 O GLU A 13 -2.918 -7.966 1.193 1.00 14.54 O ATOM 190 CB GLU A 13 -1.573 -10.761 -0.152 1.00 34.04 C ATOM 191 CG GLU A 13 -0.325 -9.893 0.116 1.00 74.21 C ATOM 192 CD GLU A 13 0.957 -10.484 -0.466 1.00 23.12 C ATOM 193 OE1 GLU A 13 1.108 -10.501 -1.698 1.00 31.34 O ATOM 194 OE2 GLU A 13 1.847 -10.904 0.305 1.00 75.20 O ATOM 0 H GLU A 13 -3.813 -11.766 -0.535 1.00 42.11 H new ATOM 0 HA GLU A 13 -2.653 -10.407 1.664 1.00 3.21 H new ATOM 0 HB2 GLU A 13 -1.354 -11.790 0.133 1.00 34.04 H new ATOM 0 HB3 GLU A 13 -1.777 -10.764 -1.223 1.00 34.04 H new ATOM 0 HG2 GLU A 13 -0.484 -8.901 -0.306 1.00 74.21 H new ATOM 0 HG3 GLU A 13 -0.203 -9.766 1.192 1.00 74.21 H new ATOM 201 N ALA A 14 -3.696 -8.544 -0.878 1.00 72.33 N ATOM 202 CA ALA A 14 -4.068 -7.191 -1.315 1.00 74.22 C ATOM 203 C ALA A 14 -5.018 -6.517 -0.313 1.00 22.44 C ATOM 204 O ALA A 14 -4.845 -5.337 0.012 1.00 35.24 O ATOM 205 CB ALA A 14 -4.697 -7.248 -2.715 1.00 35.33 C ATOM 0 H ALA A 14 -3.895 -9.264 -1.573 1.00 72.33 H new ATOM 0 HA ALA A 14 -3.163 -6.585 -1.359 1.00 74.22 H new ATOM 0 HB1 ALA A 14 -4.970 -6.242 -3.032 1.00 35.33 H new ATOM 0 HB2 ALA A 14 -3.979 -7.668 -3.419 1.00 35.33 H new ATOM 0 HB3 ALA A 14 -5.589 -7.875 -2.688 1.00 35.33 H new ATOM 211 N GLU A 15 -6.012 -7.295 0.165 1.00 51.41 N ATOM 212 CA GLU A 15 -6.979 -6.859 1.184 1.00 54.42 C ATOM 213 C GLU A 15 -6.279 -6.249 2.408 1.00 51.05 C ATOM 214 O GLU A 15 -6.587 -5.127 2.803 1.00 35.12 O ATOM 215 CB GLU A 15 -7.840 -8.067 1.634 1.00 54.12 C ATOM 216 CG GLU A 15 -8.742 -8.666 0.543 1.00 63.20 C ATOM 217 CD GLU A 15 -9.827 -7.701 0.059 1.00 42.33 C ATOM 218 OE1 GLU A 15 -10.829 -7.516 0.791 1.00 24.31 O ATOM 219 OE2 GLU A 15 -9.668 -7.093 -1.025 1.00 34.44 O ATOM 0 H GLU A 15 -6.164 -8.253 -0.152 1.00 51.41 H new ATOM 0 HA GLU A 15 -7.610 -6.091 0.738 1.00 54.42 H new ATOM 0 HB2 GLU A 15 -7.177 -8.848 2.005 1.00 54.12 H new ATOM 0 HB3 GLU A 15 -8.465 -7.756 2.471 1.00 54.12 H new ATOM 0 HG2 GLU A 15 -8.126 -8.964 -0.305 1.00 63.20 H new ATOM 0 HG3 GLU A 15 -9.214 -9.570 0.927 1.00 63.20 H new ATOM 226 N LYS A 16 -5.320 -7.014 2.971 1.00 22.42 N ATOM 227 CA LYS A 16 -4.626 -6.656 4.217 1.00 42.01 C ATOM 228 C LYS A 16 -3.734 -5.412 4.049 1.00 2.11 C ATOM 229 O LYS A 16 -3.511 -4.684 5.016 1.00 43.02 O ATOM 230 CB LYS A 16 -3.791 -7.851 4.745 1.00 24.53 C ATOM 231 CG LYS A 16 -4.616 -9.123 5.067 1.00 74.41 C ATOM 232 CD LYS A 16 -3.797 -10.189 5.830 1.00 2.03 C ATOM 233 CE LYS A 16 -2.575 -10.688 5.041 1.00 64.55 C ATOM 234 NZ LYS A 16 -2.956 -11.363 3.774 1.00 22.33 N ATOM 0 H LYS A 16 -5.008 -7.898 2.570 1.00 22.42 H new ATOM 0 HA LYS A 16 -5.395 -6.410 4.950 1.00 42.01 H new ATOM 0 HB2 LYS A 16 -3.033 -8.104 4.003 1.00 24.53 H new ATOM 0 HB3 LYS A 16 -3.263 -7.538 5.646 1.00 24.53 H new ATOM 0 HG2 LYS A 16 -5.486 -8.845 5.662 1.00 74.41 H new ATOM 0 HG3 LYS A 16 -4.989 -9.554 4.138 1.00 74.41 H new ATOM 0 HD2 LYS A 16 -3.463 -9.771 6.780 1.00 2.03 H new ATOM 0 HD3 LYS A 16 -4.442 -11.036 6.064 1.00 2.03 H new ATOM 0 HE2 LYS A 16 -1.921 -9.845 4.818 1.00 64.55 H new ATOM 0 HE3 LYS A 16 -2.004 -11.379 5.660 1.00 64.55 H new ATOM 0 HZ1 LYS A 16 -2.107 -11.514 3.192 1.00 22.33 H new ATOM 0 HZ2 LYS A 16 -3.397 -12.280 3.988 1.00 22.33 H new ATOM 0 HZ3 LYS A 16 -3.631 -10.768 3.253 1.00 22.33 H new ATOM 248 N ILE A 17 -3.222 -5.185 2.823 1.00 21.43 N ATOM 249 CA ILE A 17 -2.443 -3.975 2.503 1.00 22.22 C ATOM 250 C ILE A 17 -3.357 -2.737 2.568 1.00 50.43 C ATOM 251 O ILE A 17 -3.030 -1.745 3.228 1.00 62.40 O ATOM 252 CB ILE A 17 -1.777 -4.069 1.080 1.00 43.41 C ATOM 253 CG1 ILE A 17 -0.892 -5.346 0.951 1.00 53.52 C ATOM 254 CG2 ILE A 17 -0.950 -2.798 0.765 1.00 63.32 C ATOM 255 CD1 ILE A 17 0.263 -5.415 1.928 1.00 33.40 C ATOM 0 H ILE A 17 -3.335 -5.826 2.038 1.00 21.43 H new ATOM 0 HA ILE A 17 -1.645 -3.887 3.240 1.00 22.22 H new ATOM 0 HB ILE A 17 -2.581 -4.142 0.348 1.00 43.41 H new ATOM 0 HG12 ILE A 17 -1.522 -6.224 1.091 1.00 53.52 H new ATOM 0 HG13 ILE A 17 -0.496 -5.397 -0.063 1.00 53.52 H new ATOM 0 HG21 ILE A 17 -0.502 -2.891 -0.224 1.00 63.32 H new ATOM 0 HG22 ILE A 17 -1.602 -1.925 0.787 1.00 63.32 H new ATOM 0 HG23 ILE A 17 -0.163 -2.682 1.510 1.00 63.32 H new ATOM 0 HD11 ILE A 17 0.823 -6.336 1.765 1.00 33.40 H new ATOM 0 HD12 ILE A 17 0.920 -4.559 1.775 1.00 33.40 H new ATOM 0 HD13 ILE A 17 -0.122 -5.400 2.948 1.00 33.40 H new ATOM 267 N ILE A 18 -4.520 -2.835 1.889 1.00 42.03 N ATOM 268 CA ILE A 18 -5.546 -1.774 1.849 1.00 22.11 C ATOM 269 C ILE A 18 -6.001 -1.393 3.277 1.00 10.14 C ATOM 270 O ILE A 18 -6.094 -0.211 3.609 1.00 4.20 O ATOM 271 CB ILE A 18 -6.776 -2.244 0.969 1.00 42.33 C ATOM 272 CG1 ILE A 18 -6.328 -2.508 -0.508 1.00 43.03 C ATOM 273 CG2 ILE A 18 -7.946 -1.234 1.018 1.00 12.31 C ATOM 274 CD1 ILE A 18 -7.413 -3.050 -1.435 1.00 34.52 C ATOM 0 H ILE A 18 -4.774 -3.662 1.348 1.00 42.03 H new ATOM 0 HA ILE A 18 -5.111 -0.885 1.392 1.00 22.11 H new ATOM 0 HB ILE A 18 -7.142 -3.178 1.395 1.00 42.33 H new ATOM 0 HG12 ILE A 18 -5.949 -1.576 -0.927 1.00 43.03 H new ATOM 0 HG13 ILE A 18 -5.497 -3.214 -0.497 1.00 43.03 H new ATOM 0 HG21 ILE A 18 -8.767 -1.598 0.400 1.00 12.31 H new ATOM 0 HG22 ILE A 18 -8.288 -1.123 2.047 1.00 12.31 H new ATOM 0 HG23 ILE A 18 -7.609 -0.268 0.641 1.00 12.31 H new ATOM 0 HD11 ILE A 18 -6.999 -3.198 -2.432 1.00 34.52 H new ATOM 0 HD12 ILE A 18 -7.779 -4.002 -1.050 1.00 34.52 H new ATOM 0 HD13 ILE A 18 -8.237 -2.338 -1.486 1.00 34.52 H new ATOM 286 N ARG A 19 -6.219 -2.416 4.122 1.00 13.03 N ATOM 287 CA ARG A 19 -6.656 -2.234 5.521 1.00 25.30 C ATOM 288 C ARG A 19 -5.575 -1.521 6.341 1.00 14.52 C ATOM 289 O ARG A 19 -5.857 -0.516 6.993 1.00 22.20 O ATOM 290 CB ARG A 19 -6.990 -3.602 6.160 1.00 35.05 C ATOM 291 CG ARG A 19 -8.138 -4.354 5.467 1.00 44.50 C ATOM 292 CD ARG A 19 -8.325 -5.774 6.013 1.00 60.44 C ATOM 293 NE ARG A 19 -9.342 -6.520 5.260 1.00 13.32 N ATOM 294 CZ ARG A 19 -9.589 -7.827 5.395 1.00 15.43 C ATOM 295 NH1 ARG A 19 -8.903 -8.566 6.264 1.00 45.25 N ATOM 296 NH2 ARG A 19 -10.515 -8.395 4.645 1.00 34.42 N ATOM 0 H ARG A 19 -6.098 -3.393 3.856 1.00 13.03 H new ATOM 0 HA ARG A 19 -7.553 -1.614 5.520 1.00 25.30 H new ATOM 0 HB2 ARG A 19 -6.097 -4.227 6.142 1.00 35.05 H new ATOM 0 HB3 ARG A 19 -7.250 -3.448 7.207 1.00 35.05 H new ATOM 0 HG2 ARG A 19 -9.064 -3.794 5.596 1.00 44.50 H new ATOM 0 HG3 ARG A 19 -7.941 -4.403 4.396 1.00 44.50 H new ATOM 0 HD2 ARG A 19 -7.376 -6.308 5.969 1.00 60.44 H new ATOM 0 HD3 ARG A 19 -8.614 -5.724 7.063 1.00 60.44 H new ATOM 0 HE ARG A 19 -9.902 -6.002 4.583 1.00 13.32 H new ATOM 0 HH11 ARG A 19 -8.178 -8.136 6.838 1.00 45.25 H new ATOM 0 HH12 ARG A 19 -9.103 -9.562 6.356 1.00 45.25 H new ATOM 0 HH21 ARG A 19 -11.036 -7.837 3.968 1.00 34.42 H new ATOM 0 HH22 ARG A 19 -10.709 -9.392 4.742 1.00 34.42 H new ATOM 310 N GLU A 20 -4.335 -2.053 6.253 1.00 71.34 N ATOM 311 CA GLU A 20 -3.156 -1.533 6.972 1.00 52.42 C ATOM 312 C GLU A 20 -3.000 -0.020 6.759 1.00 64.30 C ATOM 313 O GLU A 20 -2.919 0.749 7.720 1.00 53.30 O ATOM 314 CB GLU A 20 -1.883 -2.287 6.477 1.00 12.21 C ATOM 315 CG GLU A 20 -0.538 -1.815 7.078 1.00 13.42 C ATOM 316 CD GLU A 20 -0.420 -2.022 8.601 1.00 11.34 C ATOM 317 OE1 GLU A 20 -0.509 -3.178 9.059 1.00 34.22 O ATOM 318 OE2 GLU A 20 -0.220 -1.042 9.345 1.00 2.11 O ATOM 0 H GLU A 20 -4.125 -2.865 5.673 1.00 71.34 H new ATOM 0 HA GLU A 20 -3.290 -1.702 8.040 1.00 52.42 H new ATOM 0 HB2 GLU A 20 -2.004 -3.348 6.698 1.00 12.21 H new ATOM 0 HB3 GLU A 20 -1.827 -2.191 5.393 1.00 12.21 H new ATOM 0 HG2 GLU A 20 0.275 -2.349 6.586 1.00 13.42 H new ATOM 0 HG3 GLU A 20 -0.405 -0.756 6.855 1.00 13.42 H new ATOM 325 N ILE A 21 -3.025 0.392 5.485 1.00 54.43 N ATOM 326 CA ILE A 21 -2.784 1.777 5.083 1.00 74.14 C ATOM 327 C ILE A 21 -3.955 2.697 5.477 1.00 63.12 C ATOM 328 O ILE A 21 -3.734 3.762 6.043 1.00 54.42 O ATOM 329 CB ILE A 21 -2.510 1.868 3.535 1.00 65.45 C ATOM 330 CG1 ILE A 21 -1.291 0.970 3.132 1.00 40.05 C ATOM 331 CG2 ILE A 21 -2.300 3.332 3.070 1.00 0.54 C ATOM 332 CD1 ILE A 21 0.024 1.298 3.825 1.00 43.44 C ATOM 0 H ILE A 21 -3.215 -0.233 4.702 1.00 54.43 H new ATOM 0 HA ILE A 21 -1.898 2.122 5.617 1.00 74.14 H new ATOM 0 HB ILE A 21 -3.397 1.492 3.024 1.00 65.45 H new ATOM 0 HG12 ILE A 21 -1.543 -0.069 3.343 1.00 40.05 H new ATOM 0 HG13 ILE A 21 -1.144 1.050 2.055 1.00 40.05 H new ATOM 0 HG21 ILE A 21 -2.114 3.350 1.996 1.00 0.54 H new ATOM 0 HG22 ILE A 21 -3.193 3.916 3.293 1.00 0.54 H new ATOM 0 HG23 ILE A 21 -1.445 3.761 3.593 1.00 0.54 H new ATOM 0 HD11 ILE A 21 0.800 0.618 3.474 1.00 43.44 H new ATOM 0 HD12 ILE A 21 0.310 2.324 3.595 1.00 43.44 H new ATOM 0 HD13 ILE A 21 -0.095 1.187 4.903 1.00 43.44 H new ATOM 344 N ARG A 22 -5.199 2.275 5.197 1.00 4.02 N ATOM 345 CA ARG A 22 -6.385 3.149 5.356 1.00 0.21 C ATOM 346 C ARG A 22 -6.795 3.349 6.829 1.00 2.01 C ATOM 347 O ARG A 22 -7.376 4.384 7.165 1.00 73.32 O ATOM 348 CB ARG A 22 -7.573 2.621 4.522 1.00 35.11 C ATOM 349 CG ARG A 22 -7.310 2.612 2.998 1.00 51.33 C ATOM 350 CD ARG A 22 -8.549 2.248 2.181 1.00 4.34 C ATOM 351 NE ARG A 22 -9.593 3.282 2.274 1.00 71.11 N ATOM 352 CZ ARG A 22 -10.322 3.753 1.248 1.00 4.13 C ATOM 353 NH1 ARG A 22 -10.150 3.285 0.011 1.00 31.31 N ATOM 354 NH2 ARG A 22 -11.211 4.702 1.471 1.00 45.22 N ATOM 0 H ARG A 22 -5.415 1.337 4.860 1.00 4.02 H new ATOM 0 HA ARG A 22 -6.098 4.131 4.979 1.00 0.21 H new ATOM 0 HB2 ARG A 22 -7.811 1.608 4.846 1.00 35.11 H new ATOM 0 HB3 ARG A 22 -8.450 3.235 4.726 1.00 35.11 H new ATOM 0 HG2 ARG A 22 -6.955 3.595 2.690 1.00 51.33 H new ATOM 0 HG3 ARG A 22 -6.514 1.902 2.776 1.00 51.33 H new ATOM 0 HD2 ARG A 22 -8.267 2.110 1.137 1.00 4.34 H new ATOM 0 HD3 ARG A 22 -8.948 1.297 2.532 1.00 4.34 H new ATOM 0 HE ARG A 22 -9.779 3.675 3.197 1.00 71.11 H new ATOM 0 HH11 ARG A 22 -9.457 2.558 -0.168 1.00 31.31 H new ATOM 0 HH12 ARG A 22 -10.712 3.654 -0.756 1.00 31.31 H new ATOM 0 HH21 ARG A 22 -11.339 5.070 2.414 1.00 45.22 H new ATOM 0 HH22 ARG A 22 -11.771 5.068 0.701 1.00 45.22 H new ATOM 368 N GLU A 23 -6.491 2.365 7.704 1.00 3.22 N ATOM 369 CA GLU A 23 -6.779 2.475 9.157 1.00 43.02 C ATOM 370 C GLU A 23 -5.832 3.493 9.824 1.00 54.14 C ATOM 371 O GLU A 23 -6.222 4.206 10.760 1.00 15.55 O ATOM 372 CB GLU A 23 -6.684 1.086 9.841 1.00 22.25 C ATOM 373 CG GLU A 23 -7.803 0.115 9.415 1.00 43.22 C ATOM 374 CD GLU A 23 -7.735 -1.243 10.123 1.00 20.32 C ATOM 375 OE1 GLU A 23 -8.247 -1.360 11.259 1.00 43.53 O ATOM 376 OE2 GLU A 23 -7.182 -2.204 9.548 1.00 11.01 O ATOM 0 H GLU A 23 -6.048 1.487 7.433 1.00 3.22 H new ATOM 0 HA GLU A 23 -7.799 2.838 9.280 1.00 43.02 H new ATOM 0 HB2 GLU A 23 -5.717 0.640 9.607 1.00 22.25 H new ATOM 0 HB3 GLU A 23 -6.721 1.219 10.922 1.00 22.25 H new ATOM 0 HG2 GLU A 23 -8.770 0.575 9.620 1.00 43.22 H new ATOM 0 HG3 GLU A 23 -7.746 -0.042 8.338 1.00 43.22 H new ATOM 383 N GLN A 24 -4.598 3.566 9.305 1.00 1.22 N ATOM 384 CA GLN A 24 -3.582 4.531 9.772 1.00 61.41 C ATOM 385 C GLN A 24 -3.885 5.928 9.190 1.00 3.44 C ATOM 386 O GLN A 24 -4.019 6.913 9.926 1.00 21.30 O ATOM 387 CB GLN A 24 -2.163 4.079 9.346 1.00 11.32 C ATOM 388 CG GLN A 24 -1.678 2.759 9.963 1.00 13.13 C ATOM 389 CD GLN A 24 -0.270 2.393 9.491 1.00 0.03 C ATOM 390 OE1 GLN A 24 0.728 2.761 10.112 1.00 34.15 O ATOM 391 NE2 GLN A 24 -0.176 1.695 8.368 1.00 55.51 N ATOM 0 H GLN A 24 -4.273 2.961 8.551 1.00 1.22 H new ATOM 0 HA GLN A 24 -3.618 4.576 10.860 1.00 61.41 H new ATOM 0 HB2 GLN A 24 -2.142 3.982 8.261 1.00 11.32 H new ATOM 0 HB3 GLN A 24 -1.455 4.865 9.610 1.00 11.32 H new ATOM 0 HG2 GLN A 24 -1.687 2.841 11.050 1.00 13.13 H new ATOM 0 HG3 GLN A 24 -2.369 1.959 9.698 1.00 13.13 H new ATOM 0 HE21 GLN A 24 -1.021 1.404 7.876 1.00 55.51 H new ATOM 0 HE22 GLN A 24 0.741 1.449 7.996 1.00 55.51 H new ATOM 400 N TRP A 25 -3.988 5.985 7.851 1.00 1.34 N ATOM 401 CA TRP A 25 -4.272 7.213 7.088 1.00 31.23 C ATOM 402 C TRP A 25 -5.667 7.100 6.430 1.00 73.24 C ATOM 403 O TRP A 25 -5.796 6.496 5.361 1.00 65.00 O ATOM 404 CB TRP A 25 -3.181 7.444 6.008 1.00 43.33 C ATOM 405 CG TRP A 25 -1.762 7.476 6.539 1.00 33.11 C ATOM 406 CD1 TRP A 25 -1.108 8.545 7.088 1.00 43.43 C ATOM 407 CD2 TRP A 25 -0.819 6.384 6.566 1.00 13.25 C ATOM 408 NE1 TRP A 25 0.162 8.184 7.458 1.00 60.51 N ATOM 409 CE2 TRP A 25 0.363 6.868 7.152 1.00 35.23 C ATOM 410 CE3 TRP A 25 -0.865 5.050 6.153 1.00 20.02 C ATOM 411 CZ2 TRP A 25 1.483 6.067 7.340 1.00 74.02 C ATOM 412 CZ3 TRP A 25 0.245 4.251 6.345 1.00 42.51 C ATOM 413 CH2 TRP A 25 1.406 4.762 6.937 1.00 12.41 C ATOM 0 H TRP A 25 -3.874 5.163 7.257 1.00 1.34 H new ATOM 0 HA TRP A 25 -4.265 8.066 7.767 1.00 31.23 H new ATOM 0 HB2 TRP A 25 -3.257 6.655 5.260 1.00 43.33 H new ATOM 0 HB3 TRP A 25 -3.386 8.386 5.500 1.00 43.33 H new ATOM 0 HD1 TRP A 25 -1.531 9.531 7.212 1.00 43.43 H new ATOM 0 HE1 TRP A 25 0.848 8.801 7.893 1.00 60.51 H new ATOM 0 HE3 TRP A 25 -1.755 4.650 5.691 1.00 20.02 H new ATOM 0 HZ2 TRP A 25 2.383 6.461 7.789 1.00 74.02 H new ATOM 0 HZ3 TRP A 25 0.217 3.217 6.034 1.00 42.51 H new ATOM 0 HH2 TRP A 25 2.258 4.113 7.078 1.00 12.41 H new ATOM 424 N PRO A 26 -6.748 7.639 7.083 1.00 41.13 N ATOM 425 CA PRO A 26 -8.122 7.637 6.501 1.00 21.03 C ATOM 426 C PRO A 26 -8.218 8.510 5.233 1.00 75.44 C ATOM 427 O PRO A 26 -9.032 8.251 4.343 1.00 23.44 O ATOM 428 CB PRO A 26 -9.006 8.195 7.652 1.00 12.24 C ATOM 429 CG PRO A 26 -8.060 8.976 8.524 1.00 14.32 C ATOM 430 CD PRO A 26 -6.729 8.261 8.434 1.00 22.41 C ATOM 0 HA PRO A 26 -8.432 6.646 6.171 1.00 21.03 H new ATOM 0 HB2 PRO A 26 -9.803 8.831 7.265 1.00 12.24 H new ATOM 0 HB3 PRO A 26 -9.483 7.389 8.210 1.00 12.24 H new ATOM 0 HG2 PRO A 26 -7.974 10.007 8.181 1.00 14.32 H new ATOM 0 HG3 PRO A 26 -8.416 9.011 9.554 1.00 14.32 H new ATOM 0 HD2 PRO A 26 -5.895 8.954 8.543 1.00 22.41 H new ATOM 0 HD3 PRO A 26 -6.625 7.511 9.218 1.00 22.41 H new ATOM 438 N LYS A 27 -7.355 9.526 5.165 1.00 52.43 N ATOM 439 CA LYS A 27 -7.273 10.486 4.044 1.00 20.13 C ATOM 440 C LYS A 27 -6.289 10.020 2.941 1.00 23.20 C ATOM 441 O LYS A 27 -5.735 10.834 2.193 1.00 54.14 O ATOM 442 CB LYS A 27 -6.944 11.914 4.601 1.00 62.42 C ATOM 443 CG LYS A 27 -5.916 12.000 5.758 1.00 12.00 C ATOM 444 CD LYS A 27 -4.460 11.638 5.353 1.00 75.24 C ATOM 445 CE LYS A 27 -3.470 11.780 6.517 1.00 50.53 C ATOM 446 NZ LYS A 27 -2.082 11.455 6.126 1.00 75.50 N ATOM 0 H LYS A 27 -6.675 9.715 5.901 1.00 52.43 H new ATOM 0 HA LYS A 27 -8.243 10.534 3.550 1.00 20.13 H new ATOM 0 HB2 LYS A 27 -6.576 12.523 3.775 1.00 62.42 H new ATOM 0 HB3 LYS A 27 -7.875 12.367 4.941 1.00 62.42 H new ATOM 0 HG2 LYS A 27 -5.926 13.012 6.162 1.00 12.00 H new ATOM 0 HG3 LYS A 27 -6.233 11.333 6.560 1.00 12.00 H new ATOM 0 HD2 LYS A 27 -4.434 10.613 4.982 1.00 75.24 H new ATOM 0 HD3 LYS A 27 -4.145 12.282 4.532 1.00 75.24 H new ATOM 0 HE2 LYS A 27 -3.507 12.801 6.898 1.00 50.53 H new ATOM 0 HE3 LYS A 27 -3.777 11.125 7.332 1.00 50.53 H new ATOM 0 HZ1 LYS A 27 -1.538 11.185 6.970 1.00 75.50 H new ATOM 0 HZ2 LYS A 27 -2.088 10.664 5.451 1.00 75.50 H new ATOM 0 HZ3 LYS A 27 -1.643 12.286 5.682 1.00 75.50 H new ATOM 460 N ALA A 28 -6.112 8.690 2.827 1.00 23.05 N ATOM 461 CA ALA A 28 -5.177 8.083 1.860 1.00 13.14 C ATOM 462 C ALA A 28 -6.018 7.423 0.768 1.00 53.13 C ATOM 463 O ALA A 28 -6.755 6.472 1.076 1.00 12.34 O ATOM 464 CB ALA A 28 -4.280 7.055 2.552 1.00 44.13 C ATOM 0 H ALA A 28 -6.610 8.009 3.400 1.00 23.05 H new ATOM 0 HA ALA A 28 -4.523 8.841 1.430 1.00 13.14 H new ATOM 0 HB1 ALA A 28 -3.598 6.618 1.823 1.00 44.13 H new ATOM 0 HB2 ALA A 28 -3.706 7.544 3.339 1.00 44.13 H new ATOM 0 HB3 ALA A 28 -4.897 6.269 2.988 1.00 44.13 H new ATOM 470 N THR A 29 -5.969 7.904 -0.489 1.00 43.32 N ATOM 471 CA THR A 29 -6.783 7.341 -1.563 1.00 33.53 C ATOM 472 C THR A 29 -6.186 5.995 -2.019 1.00 73.13 C ATOM 473 O THR A 29 -5.154 5.955 -2.692 1.00 44.01 O ATOM 474 CB THR A 29 -6.863 8.341 -2.763 1.00 53.31 C ATOM 475 OG1 THR A 29 -7.298 9.633 -2.299 1.00 63.34 O ATOM 476 CG2 THR A 29 -7.816 7.848 -3.868 1.00 33.25 C ATOM 0 H THR A 29 -5.373 8.680 -0.777 1.00 43.32 H new ATOM 0 HA THR A 29 -7.794 7.169 -1.192 1.00 33.53 H new ATOM 0 HB THR A 29 -5.863 8.413 -3.191 1.00 53.31 H new ATOM 0 HG1 THR A 29 -7.344 10.254 -3.056 1.00 63.34 H new ATOM 0 HG21 THR A 29 -7.839 8.575 -4.680 1.00 33.25 H new ATOM 0 HG22 THR A 29 -7.466 6.889 -4.249 1.00 33.25 H new ATOM 0 HG23 THR A 29 -8.819 7.731 -3.458 1.00 33.25 H new ATOM 484 N VAL A 30 -6.816 4.893 -1.607 1.00 55.44 N ATOM 485 CA VAL A 30 -6.408 3.539 -2.006 1.00 3.44 C ATOM 486 C VAL A 30 -7.528 2.913 -2.847 1.00 62.20 C ATOM 487 O VAL A 30 -8.699 2.915 -2.445 1.00 51.04 O ATOM 488 CB VAL A 30 -6.059 2.629 -0.768 1.00 74.34 C ATOM 489 CG1 VAL A 30 -5.612 1.209 -1.211 1.00 64.14 C ATOM 490 CG2 VAL A 30 -4.969 3.291 0.117 1.00 73.32 C ATOM 0 H VAL A 30 -7.625 4.911 -0.986 1.00 55.44 H new ATOM 0 HA VAL A 30 -5.495 3.613 -2.597 1.00 3.44 H new ATOM 0 HB VAL A 30 -6.968 2.523 -0.176 1.00 74.34 H new ATOM 0 HG11 VAL A 30 -5.379 0.610 -0.331 1.00 64.14 H new ATOM 0 HG12 VAL A 30 -6.416 0.733 -1.772 1.00 64.14 H new ATOM 0 HG13 VAL A 30 -4.726 1.287 -1.841 1.00 64.14 H new ATOM 0 HG21 VAL A 30 -4.746 2.643 0.965 1.00 73.32 H new ATOM 0 HG22 VAL A 30 -4.064 3.442 -0.472 1.00 73.32 H new ATOM 0 HG23 VAL A 30 -5.330 4.253 0.481 1.00 73.32 H new ATOM 500 N THR A 31 -7.150 2.392 -4.017 1.00 11.23 N ATOM 501 CA THR A 31 -8.081 1.791 -4.978 1.00 61.44 C ATOM 502 C THR A 31 -8.126 0.266 -4.768 1.00 12.44 C ATOM 503 O THR A 31 -7.124 -0.331 -4.351 1.00 62.04 O ATOM 504 CB THR A 31 -7.625 2.134 -6.434 1.00 20.22 C ATOM 505 OG1 THR A 31 -7.460 3.556 -6.554 1.00 42.41 O ATOM 506 CG2 THR A 31 -8.625 1.654 -7.504 1.00 52.45 C ATOM 0 H THR A 31 -6.179 2.375 -4.328 1.00 11.23 H new ATOM 0 HA THR A 31 -9.082 2.194 -4.822 1.00 61.44 H new ATOM 0 HB THR A 31 -6.685 1.611 -6.609 1.00 20.22 H new ATOM 0 HG1 THR A 31 -7.172 3.776 -7.465 1.00 42.41 H new ATOM 0 HG21 THR A 31 -8.254 1.920 -8.494 1.00 52.45 H new ATOM 0 HG22 THR A 31 -8.737 0.572 -7.438 1.00 52.45 H new ATOM 0 HG23 THR A 31 -9.592 2.130 -7.338 1.00 52.45 H new ATOM 514 N ARG A 32 -9.285 -0.371 -5.036 1.00 30.25 N ATOM 515 CA ARG A 32 -9.431 -1.825 -4.941 1.00 4.44 C ATOM 516 C ARG A 32 -8.847 -2.432 -6.220 1.00 44.31 C ATOM 517 O ARG A 32 -9.409 -2.265 -7.311 1.00 4.43 O ATOM 518 CB ARG A 32 -10.925 -2.212 -4.803 1.00 60.00 C ATOM 519 CG ARG A 32 -11.182 -3.707 -4.500 1.00 5.02 C ATOM 520 CD ARG A 32 -10.779 -4.112 -3.071 1.00 61.11 C ATOM 521 NE ARG A 32 -11.583 -3.388 -2.061 1.00 23.43 N ATOM 522 CZ ARG A 32 -11.934 -3.861 -0.858 1.00 1.42 C ATOM 523 NH1 ARG A 32 -11.562 -5.063 -0.452 1.00 53.51 N ATOM 524 NH2 ARG A 32 -12.685 -3.127 -0.064 1.00 21.21 N ATOM 0 H ARG A 32 -10.137 0.111 -5.322 1.00 30.25 H new ATOM 0 HA ARG A 32 -8.907 -2.201 -4.062 1.00 4.44 H new ATOM 0 HB2 ARG A 32 -11.369 -1.613 -4.008 1.00 60.00 H new ATOM 0 HB3 ARG A 32 -11.441 -1.949 -5.726 1.00 60.00 H new ATOM 0 HG2 ARG A 32 -12.240 -3.925 -4.648 1.00 5.02 H new ATOM 0 HG3 ARG A 32 -10.628 -4.317 -5.214 1.00 5.02 H new ATOM 0 HD2 ARG A 32 -10.913 -5.186 -2.944 1.00 61.11 H new ATOM 0 HD3 ARG A 32 -9.721 -3.902 -2.916 1.00 61.11 H new ATOM 0 HE ARG A 32 -11.897 -2.448 -2.302 1.00 23.43 H new ATOM 0 HH11 ARG A 32 -10.994 -5.654 -1.060 1.00 53.51 H new ATOM 0 HH12 ARG A 32 -11.843 -5.400 0.469 1.00 53.51 H new ATOM 0 HH21 ARG A 32 -12.996 -2.204 -0.366 1.00 21.21 H new ATOM 0 HH22 ARG A 32 -12.956 -3.482 0.853 1.00 21.21 H new ATOM 538 N THR A 33 -7.698 -3.085 -6.088 1.00 33.42 N ATOM 539 CA THR A 33 -6.935 -3.597 -7.222 1.00 54.22 C ATOM 540 C THR A 33 -6.360 -4.975 -6.872 1.00 25.41 C ATOM 541 O THR A 33 -5.882 -5.190 -5.756 1.00 44.34 O ATOM 542 CB THR A 33 -5.837 -2.574 -7.652 1.00 63.44 C ATOM 543 OG1 THR A 33 -4.894 -3.152 -8.567 1.00 74.11 O ATOM 544 CG2 THR A 33 -5.116 -1.984 -6.446 1.00 64.35 C ATOM 0 H THR A 33 -7.266 -3.276 -5.184 1.00 33.42 H new ATOM 0 HA THR A 33 -7.591 -3.724 -8.083 1.00 54.22 H new ATOM 0 HB THR A 33 -6.352 -1.765 -8.170 1.00 63.44 H new ATOM 0 HG1 THR A 33 -5.330 -3.309 -9.430 1.00 74.11 H new ATOM 0 HG21 THR A 33 -4.359 -1.277 -6.785 1.00 64.35 H new ATOM 0 HG22 THR A 33 -5.835 -1.469 -5.809 1.00 64.35 H new ATOM 0 HG23 THR A 33 -4.638 -2.784 -5.881 1.00 64.35 H new ATOM 552 N ASN A 34 -6.449 -5.906 -7.823 1.00 75.43 N ATOM 553 CA ASN A 34 -5.922 -7.277 -7.665 1.00 3.12 C ATOM 554 C ASN A 34 -4.707 -7.463 -8.590 1.00 53.24 C ATOM 555 O ASN A 34 -4.797 -7.194 -9.799 1.00 24.21 O ATOM 556 CB ASN A 34 -7.024 -8.316 -7.976 1.00 62.21 C ATOM 557 CG ASN A 34 -6.584 -9.761 -7.740 1.00 75.13 C ATOM 558 OD1 ASN A 34 -5.755 -10.044 -6.875 1.00 70.05 O ATOM 559 ND2 ASN A 34 -7.129 -10.687 -8.511 1.00 71.11 N ATOM 0 H ASN A 34 -6.888 -5.738 -8.728 1.00 75.43 H new ATOM 0 HA ASN A 34 -5.605 -7.430 -6.634 1.00 3.12 H new ATOM 0 HB2 ASN A 34 -7.896 -8.105 -7.358 1.00 62.21 H new ATOM 0 HB3 ASN A 34 -7.335 -8.204 -9.015 1.00 62.21 H new ATOM 0 HD21 ASN A 34 -6.865 -11.666 -8.397 1.00 71.11 H new ATOM 0 HD22 ASN A 34 -7.813 -10.423 -9.220 1.00 71.11 H new ATOM 566 N GLY A 35 -3.573 -7.897 -8.010 1.00 24.22 N ATOM 567 CA GLY A 35 -2.295 -8.010 -8.737 1.00 41.23 C ATOM 568 C GLY A 35 -1.363 -6.868 -8.373 1.00 32.32 C ATOM 569 O GLY A 35 -0.140 -7.041 -8.301 1.00 50.42 O ATOM 0 H GLY A 35 -3.516 -8.178 -7.031 1.00 24.22 H new ATOM 0 HA2 GLY A 35 -1.820 -8.962 -8.500 1.00 41.23 H new ATOM 0 HA3 GLY A 35 -2.481 -8.005 -9.811 1.00 41.23 H new ATOM 573 N ASP A 36 -1.957 -5.692 -8.126 1.00 31.42 N ATOM 574 CA ASP A 36 -1.235 -4.477 -7.717 1.00 2.24 C ATOM 575 C ASP A 36 -1.932 -3.862 -6.493 1.00 51.43 C ATOM 576 O ASP A 36 -2.999 -4.320 -6.080 1.00 40.40 O ATOM 577 CB ASP A 36 -1.209 -3.431 -8.877 1.00 24.13 C ATOM 578 CG ASP A 36 -0.474 -3.904 -10.148 1.00 52.12 C ATOM 579 OD1 ASP A 36 -1.117 -4.497 -11.048 1.00 35.24 O ATOM 580 OD2 ASP A 36 0.749 -3.678 -10.265 1.00 2.03 O ATOM 0 H ASP A 36 -2.965 -5.555 -8.205 1.00 31.42 H new ATOM 0 HA ASP A 36 -0.209 -4.747 -7.469 1.00 2.24 H new ATOM 0 HB2 ASP A 36 -2.235 -3.174 -9.140 1.00 24.13 H new ATOM 0 HB3 ASP A 36 -0.734 -2.519 -8.516 1.00 24.13 H new ATOM 585 N ILE A 37 -1.305 -2.831 -5.897 1.00 71.33 N ATOM 586 CA ILE A 37 -1.937 -1.954 -4.880 1.00 1.44 C ATOM 587 C ILE A 37 -1.717 -0.509 -5.304 1.00 33.14 C ATOM 588 O ILE A 37 -0.590 -0.030 -5.283 1.00 4.10 O ATOM 589 CB ILE A 37 -1.390 -2.175 -3.415 1.00 35.22 C ATOM 590 CG1 ILE A 37 -1.785 -3.579 -2.876 1.00 61.40 C ATOM 591 CG2 ILE A 37 -1.868 -1.059 -2.435 1.00 54.25 C ATOM 592 CD1 ILE A 37 -3.280 -3.792 -2.710 1.00 62.22 C ATOM 0 H ILE A 37 -0.339 -2.577 -6.105 1.00 71.33 H new ATOM 0 HA ILE A 37 -2.996 -2.207 -4.838 1.00 1.44 H new ATOM 0 HB ILE A 37 -0.303 -2.118 -3.472 1.00 35.22 H new ATOM 0 HG12 ILE A 37 -1.396 -4.338 -3.555 1.00 61.40 H new ATOM 0 HG13 ILE A 37 -1.299 -3.734 -1.913 1.00 61.40 H new ATOM 0 HG21 ILE A 37 -1.467 -1.253 -1.440 1.00 54.25 H new ATOM 0 HG22 ILE A 37 -1.514 -0.090 -2.787 1.00 54.25 H new ATOM 0 HG23 ILE A 37 -2.957 -1.054 -2.393 1.00 54.25 H new ATOM 0 HD11 ILE A 37 -3.464 -4.797 -2.330 1.00 62.22 H new ATOM 0 HD12 ILE A 37 -3.676 -3.060 -2.006 1.00 62.22 H new ATOM 0 HD13 ILE A 37 -3.774 -3.673 -3.674 1.00 62.22 H new ATOM 604 N LYS A 38 -2.794 0.170 -5.706 1.00 13.21 N ATOM 605 CA LYS A 38 -2.740 1.559 -6.144 1.00 35.32 C ATOM 606 C LYS A 38 -3.007 2.433 -4.924 1.00 65.30 C ATOM 607 O LYS A 38 -4.134 2.525 -4.426 1.00 54.22 O ATOM 608 CB LYS A 38 -3.764 1.796 -7.284 1.00 41.15 C ATOM 609 CG LYS A 38 -3.504 0.903 -8.519 1.00 73.22 C ATOM 610 CD LYS A 38 -4.520 1.127 -9.656 1.00 44.43 C ATOM 611 CE LYS A 38 -4.227 0.253 -10.892 1.00 65.11 C ATOM 612 NZ LYS A 38 -4.377 -1.207 -10.609 1.00 65.21 N ATOM 0 H LYS A 38 -3.730 -0.234 -5.735 1.00 13.21 H new ATOM 0 HA LYS A 38 -1.762 1.813 -6.554 1.00 35.32 H new ATOM 0 HB2 LYS A 38 -4.769 1.605 -6.909 1.00 41.15 H new ATOM 0 HB3 LYS A 38 -3.730 2.843 -7.585 1.00 41.15 H new ATOM 0 HG2 LYS A 38 -2.499 1.098 -8.895 1.00 73.22 H new ATOM 0 HG3 LYS A 38 -3.534 -0.143 -8.215 1.00 73.22 H new ATOM 0 HD2 LYS A 38 -5.523 0.908 -9.290 1.00 44.43 H new ATOM 0 HD3 LYS A 38 -4.509 2.177 -9.947 1.00 44.43 H new ATOM 0 HE2 LYS A 38 -4.902 0.534 -11.700 1.00 65.11 H new ATOM 0 HE3 LYS A 38 -3.213 0.450 -11.240 1.00 65.11 H new ATOM 0 HZ1 LYS A 38 -3.482 -1.695 -10.817 1.00 65.21 H new ATOM 0 HZ2 LYS A 38 -4.621 -1.343 -9.607 1.00 65.21 H new ATOM 0 HZ3 LYS A 38 -5.132 -1.601 -11.206 1.00 65.21 H new ATOM 626 N LEU A 39 -1.934 3.038 -4.433 1.00 33.13 N ATOM 627 CA LEU A 39 -1.912 3.790 -3.183 1.00 51.52 C ATOM 628 C LEU A 39 -1.524 5.223 -3.546 1.00 73.31 C ATOM 629 O LEU A 39 -0.505 5.438 -4.210 1.00 72.15 O ATOM 630 CB LEU A 39 -0.879 3.115 -2.216 1.00 71.43 C ATOM 631 CG LEU A 39 -0.911 3.485 -0.694 1.00 2.00 C ATOM 632 CD1 LEU A 39 0.097 2.618 0.094 1.00 54.53 C ATOM 633 CD2 LEU A 39 -0.639 4.978 -0.437 1.00 52.22 C ATOM 0 H LEU A 39 -1.030 3.020 -4.905 1.00 33.13 H new ATOM 0 HA LEU A 39 -2.874 3.799 -2.671 1.00 51.52 H new ATOM 0 HB2 LEU A 39 -1.010 2.036 -2.295 1.00 71.43 H new ATOM 0 HB3 LEU A 39 0.119 3.343 -2.589 1.00 71.43 H new ATOM 0 HG LEU A 39 -1.922 3.279 -0.343 1.00 2.00 H new ATOM 0 HD11 LEU A 39 0.062 2.888 1.149 1.00 54.53 H new ATOM 0 HD12 LEU A 39 -0.161 1.565 -0.020 1.00 54.53 H new ATOM 0 HD13 LEU A 39 1.102 2.789 -0.291 1.00 54.53 H new ATOM 0 HD21 LEU A 39 -0.674 5.175 0.634 1.00 52.22 H new ATOM 0 HD22 LEU A 39 0.346 5.240 -0.822 1.00 52.22 H new ATOM 0 HD23 LEU A 39 -1.397 5.578 -0.941 1.00 52.22 H new ATOM 645 N ASP A 40 -2.333 6.195 -3.121 1.00 11.30 N ATOM 646 CA ASP A 40 -2.085 7.615 -3.397 1.00 22.41 C ATOM 647 C ASP A 40 -1.788 8.324 -2.076 1.00 41.24 C ATOM 648 O ASP A 40 -2.688 8.560 -1.255 1.00 25.42 O ATOM 649 CB ASP A 40 -3.292 8.260 -4.124 1.00 21.22 C ATOM 650 CG ASP A 40 -3.151 9.783 -4.309 1.00 70.23 C ATOM 651 OD1 ASP A 40 -2.199 10.220 -4.979 1.00 5.23 O ATOM 652 OD2 ASP A 40 -3.998 10.550 -3.793 1.00 33.33 O ATOM 0 H ASP A 40 -3.178 6.023 -2.576 1.00 11.30 H new ATOM 0 HA ASP A 40 -1.227 7.715 -4.061 1.00 22.41 H new ATOM 0 HB2 ASP A 40 -3.411 7.792 -5.101 1.00 21.22 H new ATOM 0 HB3 ASP A 40 -4.201 8.053 -3.559 1.00 21.22 H new ATOM 657 N ALA A 41 -0.501 8.586 -1.873 1.00 60.03 N ATOM 658 CA ALA A 41 0.001 9.410 -0.780 1.00 12.33 C ATOM 659 C ALA A 41 -0.016 10.889 -1.195 1.00 14.50 C ATOM 660 O ALA A 41 0.264 11.237 -2.357 1.00 34.00 O ATOM 661 CB ALA A 41 1.412 8.960 -0.380 1.00 44.40 C ATOM 0 H ALA A 41 0.237 8.224 -2.476 1.00 60.03 H new ATOM 0 HA ALA A 41 -0.645 9.291 0.089 1.00 12.33 H new ATOM 0 HB1 ALA A 41 1.775 9.584 0.437 1.00 44.40 H new ATOM 0 HB2 ALA A 41 1.384 7.919 -0.057 1.00 44.40 H new ATOM 0 HB3 ALA A 41 2.081 9.057 -1.235 1.00 44.40 H new ATOM 667 N GLN A 42 -0.360 11.742 -0.236 1.00 3.12 N ATOM 668 CA GLN A 42 -0.474 13.189 -0.443 1.00 42.54 C ATOM 669 C GLN A 42 0.888 13.858 -0.217 1.00 53.52 C ATOM 670 O GLN A 42 1.243 14.827 -0.889 1.00 22.04 O ATOM 671 CB GLN A 42 -1.544 13.760 0.524 1.00 2.43 C ATOM 672 CG GLN A 42 -2.859 12.943 0.566 1.00 50.21 C ATOM 673 CD GLN A 42 -3.529 12.757 -0.799 1.00 65.45 C ATOM 674 OE1 GLN A 42 -3.470 13.628 -1.673 1.00 50.13 O ATOM 675 NE2 GLN A 42 -4.146 11.601 -1.007 1.00 3.11 N ATOM 0 H GLN A 42 -0.571 11.449 0.718 1.00 3.12 H new ATOM 0 HA GLN A 42 -0.784 13.394 -1.468 1.00 42.54 H new ATOM 0 HB2 GLN A 42 -1.124 13.804 1.529 1.00 2.43 H new ATOM 0 HB3 GLN A 42 -1.774 14.784 0.230 1.00 2.43 H new ATOM 0 HG2 GLN A 42 -2.650 11.962 0.992 1.00 50.21 H new ATOM 0 HG3 GLN A 42 -3.560 13.439 1.237 1.00 50.21 H new ATOM 0 HE21 GLN A 42 -4.179 10.900 -0.267 1.00 3.11 H new ATOM 0 HE22 GLN A 42 -4.587 11.413 -1.907 1.00 3.11 H new ATOM 684 N THR A 43 1.640 13.302 0.742 1.00 40.40 N ATOM 685 CA THR A 43 2.974 13.783 1.134 1.00 20.44 C ATOM 686 C THR A 43 3.983 12.617 1.086 1.00 45.31 C ATOM 687 O THR A 43 3.604 11.457 1.301 1.00 63.30 O ATOM 688 CB THR A 43 2.938 14.420 2.566 1.00 33.02 C ATOM 689 OG1 THR A 43 2.283 13.536 3.490 1.00 41.52 O ATOM 690 CG2 THR A 43 2.228 15.788 2.587 1.00 44.51 C ATOM 0 H THR A 43 1.334 12.490 1.278 1.00 40.40 H new ATOM 0 HA THR A 43 3.288 14.555 0.431 1.00 20.44 H new ATOM 0 HB THR A 43 3.975 14.576 2.864 1.00 33.02 H new ATOM 0 HG1 THR A 43 2.269 13.945 4.380 1.00 41.52 H new ATOM 0 HG21 THR A 43 2.231 16.184 3.602 1.00 44.51 H new ATOM 0 HG22 THR A 43 2.751 16.479 1.926 1.00 44.51 H new ATOM 0 HG23 THR A 43 1.199 15.669 2.247 1.00 44.51 H new ATOM 698 N GLU A 44 5.263 12.931 0.789 1.00 34.10 N ATOM 699 CA GLU A 44 6.343 11.924 0.703 1.00 44.43 C ATOM 700 C GLU A 44 6.652 11.339 2.085 1.00 72.25 C ATOM 701 O GLU A 44 6.840 10.131 2.217 1.00 41.55 O ATOM 702 CB GLU A 44 7.626 12.536 0.085 1.00 42.22 C ATOM 703 CG GLU A 44 8.797 11.531 -0.063 1.00 63.13 C ATOM 704 CD GLU A 44 10.103 12.175 -0.541 1.00 2.45 C ATOM 705 OE1 GLU A 44 10.761 12.863 0.264 1.00 53.13 O ATOM 706 OE2 GLU A 44 10.497 11.979 -1.705 1.00 32.11 O ATOM 0 H GLU A 44 5.575 13.884 0.603 1.00 34.10 H new ATOM 0 HA GLU A 44 5.996 11.121 0.053 1.00 44.43 H new ATOM 0 HB2 GLU A 44 7.385 12.944 -0.897 1.00 42.22 H new ATOM 0 HB3 GLU A 44 7.953 13.370 0.705 1.00 42.22 H new ATOM 0 HG2 GLU A 44 8.971 11.046 0.897 1.00 63.13 H new ATOM 0 HG3 GLU A 44 8.508 10.751 -0.767 1.00 63.13 H new ATOM 713 N LYS A 45 6.656 12.210 3.113 1.00 43.10 N ATOM 714 CA LYS A 45 6.956 11.815 4.506 1.00 0.32 C ATOM 715 C LYS A 45 5.922 10.792 5.038 1.00 0.23 C ATOM 716 O LYS A 45 6.183 10.056 5.996 1.00 32.43 O ATOM 717 CB LYS A 45 6.977 13.065 5.421 1.00 31.31 C ATOM 718 CG LYS A 45 7.986 14.186 5.044 1.00 53.20 C ATOM 719 CD LYS A 45 9.462 13.710 4.889 1.00 72.20 C ATOM 720 CE LYS A 45 9.861 13.435 3.429 1.00 25.54 C ATOM 721 NZ LYS A 45 11.218 12.856 3.315 1.00 34.22 N ATOM 0 H LYS A 45 6.452 13.203 3.003 1.00 43.10 H new ATOM 0 HA LYS A 45 7.938 11.341 4.515 1.00 0.32 H new ATOM 0 HB2 LYS A 45 5.976 13.497 5.431 1.00 31.31 H new ATOM 0 HB3 LYS A 45 7.194 12.739 6.438 1.00 31.31 H new ATOM 0 HG2 LYS A 45 7.666 14.644 4.108 1.00 53.20 H new ATOM 0 HG3 LYS A 45 7.947 14.962 5.808 1.00 53.20 H new ATOM 0 HD2 LYS A 45 10.127 14.468 5.304 1.00 72.20 H new ATOM 0 HD3 LYS A 45 9.608 12.803 5.476 1.00 72.20 H new ATOM 0 HE2 LYS A 45 9.139 12.753 2.980 1.00 25.54 H new ATOM 0 HE3 LYS A 45 9.817 14.365 2.862 1.00 25.54 H new ATOM 0 HZ1 LYS A 45 11.461 12.736 2.311 1.00 34.22 H new ATOM 0 HZ2 LYS A 45 11.906 13.493 3.764 1.00 34.22 H new ATOM 0 HZ3 LYS A 45 11.242 11.931 3.790 1.00 34.22 H new ATOM 735 N GLU A 46 4.747 10.774 4.387 1.00 22.32 N ATOM 736 CA GLU A 46 3.652 9.833 4.658 1.00 13.24 C ATOM 737 C GLU A 46 3.916 8.523 3.909 1.00 12.41 C ATOM 738 O GLU A 46 3.825 7.432 4.486 1.00 64.33 O ATOM 739 CB GLU A 46 2.342 10.500 4.179 1.00 73.12 C ATOM 740 CG GLU A 46 1.061 9.649 4.182 1.00 62.41 C ATOM 741 CD GLU A 46 -0.145 10.371 3.537 1.00 64.45 C ATOM 742 OE1 GLU A 46 0.066 11.248 2.669 1.00 42.33 O ATOM 743 OE2 GLU A 46 -1.309 10.068 3.895 1.00 10.13 O ATOM 0 H GLU A 46 4.529 11.432 3.638 1.00 22.32 H new ATOM 0 HA GLU A 46 3.576 9.599 5.720 1.00 13.24 H new ATOM 0 HB2 GLU A 46 2.164 11.375 4.804 1.00 73.12 H new ATOM 0 HB3 GLU A 46 2.502 10.861 3.163 1.00 73.12 H new ATOM 0 HG2 GLU A 46 1.249 8.718 3.647 1.00 62.41 H new ATOM 0 HG3 GLU A 46 0.811 9.382 5.209 1.00 62.41 H new ATOM 750 N ALA A 47 4.289 8.666 2.622 1.00 21.53 N ATOM 751 CA ALA A 47 4.545 7.542 1.698 1.00 60.11 C ATOM 752 C ALA A 47 5.677 6.625 2.178 1.00 34.13 C ATOM 753 O ALA A 47 5.638 5.418 1.950 1.00 64.04 O ATOM 754 CB ALA A 47 4.876 8.076 0.308 1.00 41.40 C ATOM 0 H ALA A 47 4.423 9.579 2.188 1.00 21.53 H new ATOM 0 HA ALA A 47 3.634 6.944 1.666 1.00 60.11 H new ATOM 0 HB1 ALA A 47 5.063 7.241 -0.367 1.00 41.40 H new ATOM 0 HB2 ALA A 47 4.037 8.663 -0.065 1.00 41.40 H new ATOM 0 HB3 ALA A 47 5.764 8.705 0.362 1.00 41.40 H new ATOM 760 N GLU A 48 6.685 7.223 2.834 1.00 4.30 N ATOM 761 CA GLU A 48 7.870 6.505 3.335 1.00 14.33 C ATOM 762 C GLU A 48 7.500 5.523 4.464 1.00 13.34 C ATOM 763 O GLU A 48 8.155 4.487 4.634 1.00 5.30 O ATOM 764 CB GLU A 48 8.947 7.527 3.773 1.00 42.53 C ATOM 765 CG GLU A 48 9.470 8.411 2.609 1.00 11.05 C ATOM 766 CD GLU A 48 10.370 9.576 3.051 1.00 41.21 C ATOM 767 OE1 GLU A 48 10.110 10.167 4.116 1.00 54.34 O ATOM 768 OE2 GLU A 48 11.328 9.930 2.326 1.00 34.31 O ATOM 0 H GLU A 48 6.701 8.223 3.033 1.00 4.30 H new ATOM 0 HA GLU A 48 8.285 5.897 2.531 1.00 14.33 H new ATOM 0 HB2 GLU A 48 8.532 8.170 4.549 1.00 42.53 H new ATOM 0 HB3 GLU A 48 9.786 6.991 4.217 1.00 42.53 H new ATOM 0 HG2 GLU A 48 10.026 7.783 1.913 1.00 11.05 H new ATOM 0 HG3 GLU A 48 8.617 8.814 2.063 1.00 11.05 H new ATOM 775 N LYS A 49 6.438 5.850 5.221 1.00 13.52 N ATOM 776 CA LYS A 49 5.892 4.965 6.267 1.00 64.04 C ATOM 777 C LYS A 49 4.914 3.947 5.642 1.00 55.41 C ATOM 778 O LYS A 49 4.859 2.793 6.059 1.00 33.31 O ATOM 779 CB LYS A 49 5.171 5.798 7.356 1.00 43.34 C ATOM 780 CG LYS A 49 6.072 6.814 8.081 1.00 75.22 C ATOM 781 CD LYS A 49 5.326 7.572 9.209 1.00 61.30 C ATOM 782 CE LYS A 49 6.252 8.516 9.989 1.00 3.10 C ATOM 783 NZ LYS A 49 5.553 9.207 11.103 1.00 25.30 N ATOM 0 H LYS A 49 5.935 6.732 5.126 1.00 13.52 H new ATOM 0 HA LYS A 49 6.716 4.424 6.732 1.00 64.04 H new ATOM 0 HB2 LYS A 49 4.339 6.332 6.896 1.00 43.34 H new ATOM 0 HB3 LYS A 49 4.745 5.118 8.093 1.00 43.34 H new ATOM 0 HG2 LYS A 49 6.932 6.295 8.504 1.00 75.22 H new ATOM 0 HG3 LYS A 49 6.458 7.533 7.358 1.00 75.22 H new ATOM 0 HD2 LYS A 49 4.506 8.146 8.777 1.00 61.30 H new ATOM 0 HD3 LYS A 49 4.883 6.851 9.896 1.00 61.30 H new ATOM 0 HE2 LYS A 49 7.092 7.948 10.388 1.00 3.10 H new ATOM 0 HE3 LYS A 49 6.666 9.259 9.307 1.00 3.10 H new ATOM 0 HZ1 LYS A 49 6.221 9.832 11.598 1.00 25.30 H new ATOM 0 HZ2 LYS A 49 4.767 9.772 10.722 1.00 25.30 H new ATOM 0 HZ3 LYS A 49 5.181 8.501 11.770 1.00 25.30 H new ATOM 797 N MET A 50 4.097 4.452 4.697 1.00 62.34 N ATOM 798 CA MET A 50 3.151 3.637 3.889 1.00 21.13 C ATOM 799 C MET A 50 3.834 2.392 3.290 1.00 35.24 C ATOM 800 O MET A 50 3.465 1.261 3.622 1.00 44.22 O ATOM 801 CB MET A 50 2.496 4.495 2.774 1.00 71.13 C ATOM 802 CG MET A 50 1.463 5.496 3.271 1.00 4.43 C ATOM 803 SD MET A 50 0.820 6.526 1.950 1.00 32.15 S ATOM 804 CE MET A 50 -0.754 7.009 2.639 1.00 43.21 C ATOM 0 H MET A 50 4.070 5.445 4.466 1.00 62.34 H new ATOM 0 HA MET A 50 2.367 3.288 4.561 1.00 21.13 H new ATOM 0 HB2 MET A 50 3.279 5.035 2.241 1.00 71.13 H new ATOM 0 HB3 MET A 50 2.021 3.830 2.053 1.00 71.13 H new ATOM 0 HG2 MET A 50 0.640 4.960 3.744 1.00 4.43 H new ATOM 0 HG3 MET A 50 1.913 6.129 4.036 1.00 4.43 H new ATOM 0 HE1 MET A 50 -1.165 7.838 2.062 1.00 43.21 H new ATOM 0 HE2 MET A 50 -1.442 6.165 2.601 1.00 43.21 H new ATOM 0 HE3 MET A 50 -0.618 7.320 3.675 1.00 43.21 H new ATOM 814 N GLU A 51 4.828 2.630 2.415 1.00 45.14 N ATOM 815 CA GLU A 51 5.608 1.577 1.728 1.00 54.13 C ATOM 816 C GLU A 51 6.271 0.595 2.732 1.00 35.32 C ATOM 817 O GLU A 51 6.435 -0.594 2.445 1.00 45.11 O ATOM 818 CB GLU A 51 6.688 2.255 0.838 1.00 55.04 C ATOM 819 CG GLU A 51 7.774 3.013 1.628 1.00 50.30 C ATOM 820 CD GLU A 51 8.806 3.722 0.745 1.00 24.01 C ATOM 821 OE1 GLU A 51 9.839 3.104 0.398 1.00 3.12 O ATOM 822 OE2 GLU A 51 8.595 4.900 0.396 1.00 2.43 O ATOM 0 H GLU A 51 5.119 3.574 2.159 1.00 45.14 H new ATOM 0 HA GLU A 51 4.929 0.988 1.112 1.00 54.13 H new ATOM 0 HB2 GLU A 51 7.167 1.493 0.224 1.00 55.04 H new ATOM 0 HB3 GLU A 51 6.197 2.951 0.158 1.00 55.04 H new ATOM 0 HG2 GLU A 51 7.293 3.750 2.271 1.00 50.30 H new ATOM 0 HG3 GLU A 51 8.291 2.310 2.281 1.00 50.30 H new ATOM 829 N LYS A 52 6.640 1.129 3.910 1.00 70.34 N ATOM 830 CA LYS A 52 7.296 0.361 4.967 1.00 74.03 C ATOM 831 C LYS A 52 6.271 -0.553 5.670 1.00 52.24 C ATOM 832 O LYS A 52 6.555 -1.713 5.941 1.00 23.45 O ATOM 833 CB LYS A 52 7.968 1.322 5.977 1.00 24.54 C ATOM 834 CG LYS A 52 8.847 0.632 7.047 1.00 25.11 C ATOM 835 CD LYS A 52 10.112 -0.063 6.479 1.00 62.15 C ATOM 836 CE LYS A 52 11.253 0.911 6.125 1.00 74.21 C ATOM 837 NZ LYS A 52 10.924 1.835 5.006 1.00 5.43 N ATOM 0 H LYS A 52 6.488 2.109 4.150 1.00 70.34 H new ATOM 0 HA LYS A 52 8.069 -0.270 4.528 1.00 74.03 H new ATOM 0 HB2 LYS A 52 8.583 2.033 5.426 1.00 24.54 H new ATOM 0 HB3 LYS A 52 7.191 1.897 6.481 1.00 24.54 H new ATOM 0 HG2 LYS A 52 9.154 1.375 7.783 1.00 25.11 H new ATOM 0 HG3 LYS A 52 8.245 -0.108 7.573 1.00 25.11 H new ATOM 0 HD2 LYS A 52 10.477 -0.785 7.210 1.00 62.15 H new ATOM 0 HD3 LYS A 52 9.836 -0.624 5.586 1.00 62.15 H new ATOM 0 HE2 LYS A 52 11.504 1.499 7.008 1.00 74.21 H new ATOM 0 HE3 LYS A 52 12.141 0.336 5.861 1.00 74.21 H new ATOM 0 HZ1 LYS A 52 11.798 2.107 4.512 1.00 5.43 H new ATOM 0 HZ2 LYS A 52 10.283 1.359 4.339 1.00 5.43 H new ATOM 0 HZ3 LYS A 52 10.461 2.686 5.383 1.00 5.43 H new ATOM 851 N ALA A 53 5.065 -0.004 5.930 1.00 54.02 N ATOM 852 CA ALA A 53 3.953 -0.719 6.598 1.00 72.55 C ATOM 853 C ALA A 53 3.463 -1.893 5.746 1.00 71.33 C ATOM 854 O ALA A 53 3.008 -2.915 6.274 1.00 73.11 O ATOM 855 CB ALA A 53 2.811 0.260 6.894 1.00 20.32 C ATOM 0 H ALA A 53 4.832 0.957 5.680 1.00 54.02 H new ATOM 0 HA ALA A 53 4.317 -1.129 7.540 1.00 72.55 H new ATOM 0 HB1 ALA A 53 1.995 -0.270 7.385 1.00 20.32 H new ATOM 0 HB2 ALA A 53 3.173 1.054 7.547 1.00 20.32 H new ATOM 0 HB3 ALA A 53 2.452 0.693 5.960 1.00 20.32 H new ATOM 861 N VAL A 54 3.563 -1.717 4.422 1.00 51.50 N ATOM 862 CA VAL A 54 3.318 -2.783 3.449 1.00 30.21 C ATOM 863 C VAL A 54 4.291 -3.961 3.696 1.00 61.54 C ATOM 864 O VAL A 54 3.878 -5.118 3.689 1.00 60.03 O ATOM 865 CB VAL A 54 3.471 -2.241 1.982 1.00 73.00 C ATOM 866 CG1 VAL A 54 3.341 -3.367 0.946 1.00 53.32 C ATOM 867 CG2 VAL A 54 2.445 -1.119 1.687 1.00 52.42 C ATOM 0 H VAL A 54 3.818 -0.826 3.996 1.00 51.50 H new ATOM 0 HA VAL A 54 2.296 -3.140 3.574 1.00 30.21 H new ATOM 0 HB VAL A 54 4.474 -1.821 1.901 1.00 73.00 H new ATOM 0 HG11 VAL A 54 3.452 -2.954 -0.056 1.00 53.32 H new ATOM 0 HG12 VAL A 54 4.117 -4.112 1.119 1.00 53.32 H new ATOM 0 HG13 VAL A 54 2.361 -3.835 1.039 1.00 53.32 H new ATOM 0 HG21 VAL A 54 2.577 -0.765 0.664 1.00 52.42 H new ATOM 0 HG22 VAL A 54 1.434 -1.509 1.809 1.00 52.42 H new ATOM 0 HG23 VAL A 54 2.601 -0.292 2.380 1.00 52.42 H new ATOM 877 N LYS A 55 5.589 -3.637 3.901 1.00 5.02 N ATOM 878 CA LYS A 55 6.644 -4.640 4.195 1.00 14.43 C ATOM 879 C LYS A 55 6.379 -5.424 5.504 1.00 65.53 C ATOM 880 O LYS A 55 6.846 -6.555 5.650 1.00 74.24 O ATOM 881 CB LYS A 55 8.057 -3.988 4.229 1.00 23.04 C ATOM 882 CG LYS A 55 8.549 -3.470 2.857 1.00 52.21 C ATOM 883 CD LYS A 55 10.010 -2.958 2.905 1.00 62.24 C ATOM 884 CE LYS A 55 10.565 -2.613 1.513 1.00 12.21 C ATOM 885 NZ LYS A 55 10.500 -3.772 0.577 1.00 4.34 N ATOM 0 H LYS A 55 5.935 -2.678 3.868 1.00 5.02 H new ATOM 0 HA LYS A 55 6.612 -5.359 3.377 1.00 14.43 H new ATOM 0 HB2 LYS A 55 8.045 -3.158 4.935 1.00 23.04 H new ATOM 0 HB3 LYS A 55 8.773 -4.718 4.607 1.00 23.04 H new ATOM 0 HG2 LYS A 55 8.472 -4.271 2.121 1.00 52.21 H new ATOM 0 HG3 LYS A 55 7.896 -2.664 2.521 1.00 52.21 H new ATOM 0 HD2 LYS A 55 10.060 -2.074 3.541 1.00 62.24 H new ATOM 0 HD3 LYS A 55 10.642 -3.718 3.365 1.00 62.24 H new ATOM 0 HE2 LYS A 55 10.001 -1.779 1.095 1.00 12.21 H new ATOM 0 HE3 LYS A 55 11.599 -2.282 1.608 1.00 12.21 H new ATOM 0 HZ1 LYS A 55 11.102 -3.585 -0.250 1.00 4.34 H new ATOM 0 HZ2 LYS A 55 10.834 -4.629 1.062 1.00 4.34 H new ATOM 0 HZ3 LYS A 55 9.518 -3.912 0.265 1.00 4.34 H new ATOM 899 N LYS A 56 5.638 -4.814 6.447 1.00 23.03 N ATOM 900 CA LYS A 56 5.216 -5.486 7.702 1.00 1.44 C ATOM 901 C LYS A 56 4.193 -6.607 7.398 1.00 73.10 C ATOM 902 O LYS A 56 4.170 -7.637 8.077 1.00 22.03 O ATOM 903 CB LYS A 56 4.628 -4.461 8.729 1.00 22.11 C ATOM 904 CG LYS A 56 5.640 -3.705 9.639 1.00 12.01 C ATOM 905 CD LYS A 56 6.610 -2.741 8.901 1.00 41.32 C ATOM 906 CE LYS A 56 7.936 -3.399 8.460 1.00 5.14 C ATOM 907 NZ LYS A 56 8.728 -3.905 9.619 1.00 0.31 N ATOM 0 H LYS A 56 5.314 -3.850 6.368 1.00 23.03 H new ATOM 0 HA LYS A 56 6.100 -5.936 8.155 1.00 1.44 H new ATOM 0 HB2 LYS A 56 4.053 -3.719 8.174 1.00 22.11 H new ATOM 0 HB3 LYS A 56 3.927 -4.992 9.372 1.00 22.11 H new ATOM 0 HG2 LYS A 56 5.080 -3.133 10.379 1.00 12.01 H new ATOM 0 HG3 LYS A 56 6.231 -4.440 10.185 1.00 12.01 H new ATOM 0 HD2 LYS A 56 6.106 -2.338 8.022 1.00 41.32 H new ATOM 0 HD3 LYS A 56 6.835 -1.898 9.554 1.00 41.32 H new ATOM 0 HE2 LYS A 56 7.722 -4.224 7.781 1.00 5.14 H new ATOM 0 HE3 LYS A 56 8.531 -2.675 7.904 1.00 5.14 H new ATOM 0 HZ1 LYS A 56 9.722 -4.022 9.336 1.00 0.31 H new ATOM 0 HZ2 LYS A 56 8.670 -3.224 10.403 1.00 0.31 H new ATOM 0 HZ3 LYS A 56 8.345 -4.822 9.927 1.00 0.31 H new ATOM 921 N VAL A 57 3.357 -6.381 6.373 1.00 72.11 N ATOM 922 CA VAL A 57 2.336 -7.346 5.919 1.00 2.14 C ATOM 923 C VAL A 57 2.941 -8.335 4.886 1.00 23.52 C ATOM 924 O VAL A 57 2.534 -9.501 4.809 1.00 72.25 O ATOM 925 CB VAL A 57 1.106 -6.593 5.294 1.00 3.31 C ATOM 926 CG1 VAL A 57 -0.038 -7.565 4.922 1.00 32.51 C ATOM 927 CG2 VAL A 57 0.591 -5.481 6.241 1.00 24.52 C ATOM 0 H VAL A 57 3.368 -5.518 5.830 1.00 72.11 H new ATOM 0 HA VAL A 57 1.994 -7.914 6.784 1.00 2.14 H new ATOM 0 HB VAL A 57 1.453 -6.126 4.372 1.00 3.31 H new ATOM 0 HG11 VAL A 57 -0.868 -7.003 4.494 1.00 32.51 H new ATOM 0 HG12 VAL A 57 0.324 -8.291 4.193 1.00 32.51 H new ATOM 0 HG13 VAL A 57 -0.377 -8.087 5.817 1.00 32.51 H new ATOM 0 HG21 VAL A 57 -0.260 -4.978 5.782 1.00 24.52 H new ATOM 0 HG22 VAL A 57 0.283 -5.924 7.188 1.00 24.52 H new ATOM 0 HG23 VAL A 57 1.387 -4.758 6.420 1.00 24.52 H new ATOM 937 N LYS A 58 3.960 -7.864 4.134 1.00 44.32 N ATOM 938 CA LYS A 58 4.627 -8.648 3.071 1.00 60.25 C ATOM 939 C LYS A 58 6.092 -8.152 2.896 1.00 43.31 C ATOM 940 O LYS A 58 6.334 -7.147 2.220 1.00 30.32 O ATOM 941 CB LYS A 58 3.824 -8.597 1.727 1.00 12.03 C ATOM 942 CG LYS A 58 3.476 -7.185 1.187 1.00 35.22 C ATOM 943 CD LYS A 58 2.640 -7.186 -0.124 1.00 63.40 C ATOM 944 CE LYS A 58 3.420 -7.624 -1.382 1.00 44.11 C ATOM 945 NZ LYS A 58 3.744 -9.072 -1.409 1.00 62.44 N ATOM 0 H LYS A 58 4.344 -6.926 4.248 1.00 44.32 H new ATOM 0 HA LYS A 58 4.653 -9.696 3.371 1.00 60.25 H new ATOM 0 HB2 LYS A 58 4.399 -9.123 0.965 1.00 12.03 H new ATOM 0 HB3 LYS A 58 2.895 -9.150 1.863 1.00 12.03 H new ATOM 0 HG2 LYS A 58 2.925 -6.642 1.954 1.00 35.22 H new ATOM 0 HG3 LYS A 58 4.402 -6.638 1.012 1.00 35.22 H new ATOM 0 HD2 LYS A 58 1.785 -7.849 0.006 1.00 63.40 H new ATOM 0 HD3 LYS A 58 2.244 -6.184 -0.288 1.00 63.40 H new ATOM 0 HE2 LYS A 58 2.834 -7.375 -2.267 1.00 44.11 H new ATOM 0 HE3 LYS A 58 4.346 -7.052 -1.442 1.00 44.11 H new ATOM 0 HZ1 LYS A 58 4.773 -9.199 -1.328 1.00 62.44 H new ATOM 0 HZ2 LYS A 58 3.273 -9.548 -0.613 1.00 62.44 H new ATOM 0 HZ3 LYS A 58 3.413 -9.485 -2.304 1.00 62.44 H new ATOM 959 N PRO A 59 7.109 -8.848 3.519 1.00 55.02 N ATOM 960 CA PRO A 59 8.551 -8.436 3.463 1.00 25.42 C ATOM 961 C PRO A 59 9.120 -8.361 2.031 1.00 72.21 C ATOM 962 O PRO A 59 10.030 -7.572 1.752 1.00 61.44 O ATOM 963 CB PRO A 59 9.274 -9.531 4.297 1.00 25.32 C ATOM 964 CG PRO A 59 8.204 -10.090 5.190 1.00 31.42 C ATOM 965 CD PRO A 59 6.936 -10.061 4.367 1.00 32.24 C ATOM 0 HA PRO A 59 8.689 -7.426 3.848 1.00 25.42 H new ATOM 0 HB2 PRO A 59 9.699 -10.303 3.655 1.00 25.32 H new ATOM 0 HB3 PRO A 59 10.096 -9.111 4.877 1.00 25.32 H new ATOM 0 HG2 PRO A 59 8.445 -11.106 5.503 1.00 31.42 H new ATOM 0 HG3 PRO A 59 8.098 -9.494 6.096 1.00 31.42 H new ATOM 0 HD2 PRO A 59 6.827 -10.962 3.764 1.00 32.24 H new ATOM 0 HD3 PRO A 59 6.049 -9.989 4.996 1.00 32.24 H new ATOM 973 N ASN A 60 8.546 -9.170 1.137 1.00 4.12 N ATOM 974 CA ASN A 60 8.981 -9.265 -0.275 1.00 62.24 C ATOM 975 C ASN A 60 8.233 -8.256 -1.166 1.00 54.32 C ATOM 976 O ASN A 60 8.200 -8.429 -2.393 1.00 11.32 O ATOM 977 CB ASN A 60 8.763 -10.714 -0.790 1.00 63.33 C ATOM 978 CG ASN A 60 9.543 -11.775 -0.010 1.00 73.13 C ATOM 979 OD1 ASN A 60 9.048 -12.879 0.219 1.00 44.12 O ATOM 980 ND2 ASN A 60 10.786 -11.489 0.366 1.00 14.34 N ATOM 0 H ASN A 60 7.763 -9.783 1.364 1.00 4.12 H new ATOM 0 HA ASN A 60 10.042 -9.019 -0.325 1.00 62.24 H new ATOM 0 HB2 ASN A 60 7.700 -10.950 -0.741 1.00 63.33 H new ATOM 0 HB3 ASN A 60 9.053 -10.763 -1.840 1.00 63.33 H new ATOM 0 HD21 ASN A 60 11.346 -12.189 0.852 1.00 14.34 H new ATOM 0 HD22 ASN A 60 11.180 -10.569 0.168 1.00 14.34 H new ATOM 987 N ALA A 61 7.655 -7.200 -0.542 1.00 24.24 N ATOM 988 CA ALA A 61 6.913 -6.142 -1.249 1.00 11.35 C ATOM 989 C ALA A 61 7.756 -5.497 -2.361 1.00 51.21 C ATOM 990 O ALA A 61 8.762 -4.833 -2.074 1.00 52.21 O ATOM 991 CB ALA A 61 6.446 -5.065 -0.247 1.00 43.51 C ATOM 0 H ALA A 61 7.694 -7.063 0.468 1.00 24.24 H new ATOM 0 HA ALA A 61 6.045 -6.604 -1.719 1.00 11.35 H new ATOM 0 HB1 ALA A 61 5.898 -4.287 -0.778 1.00 43.51 H new ATOM 0 HB2 ALA A 61 5.796 -5.521 0.500 1.00 43.51 H new ATOM 0 HB3 ALA A 61 7.313 -4.626 0.246 1.00 43.51 H new ATOM 997 N THR A 62 7.340 -5.721 -3.620 1.00 5.45 N ATOM 998 CA THR A 62 7.929 -5.066 -4.783 1.00 24.30 C ATOM 999 C THR A 62 7.221 -3.710 -4.949 1.00 35.12 C ATOM 1000 O THR A 62 6.084 -3.640 -5.437 1.00 74.42 O ATOM 1001 CB THR A 62 7.763 -5.957 -6.063 1.00 62.44 C ATOM 1002 OG1 THR A 62 8.192 -7.300 -5.779 1.00 74.05 O ATOM 1003 CG2 THR A 62 8.563 -5.419 -7.264 1.00 2.44 C ATOM 0 H THR A 62 6.583 -6.365 -3.852 1.00 5.45 H new ATOM 0 HA THR A 62 9.000 -4.916 -4.643 1.00 24.30 H new ATOM 0 HB THR A 62 6.706 -5.938 -6.330 1.00 62.44 H new ATOM 0 HG1 THR A 62 8.085 -7.854 -6.580 1.00 74.05 H new ATOM 0 HG21 THR A 62 8.413 -6.073 -8.123 1.00 2.44 H new ATOM 0 HG22 THR A 62 8.220 -4.414 -7.509 1.00 2.44 H new ATOM 0 HG23 THR A 62 9.623 -5.389 -7.011 1.00 2.44 H new ATOM 1011 N ILE A 63 7.888 -2.642 -4.482 1.00 35.44 N ATOM 1012 CA ILE A 63 7.301 -1.303 -4.385 1.00 55.44 C ATOM 1013 C ILE A 63 7.726 -0.445 -5.580 1.00 23.33 C ATOM 1014 O ILE A 63 8.915 -0.159 -5.761 1.00 11.41 O ATOM 1015 CB ILE A 63 7.740 -0.607 -3.042 1.00 3.31 C ATOM 1016 CG1 ILE A 63 7.435 -1.551 -1.834 1.00 53.45 C ATOM 1017 CG2 ILE A 63 7.058 0.779 -2.870 1.00 43.12 C ATOM 1018 CD1 ILE A 63 7.937 -1.065 -0.491 1.00 23.41 C ATOM 0 H ILE A 63 8.855 -2.688 -4.160 1.00 35.44 H new ATOM 0 HA ILE A 63 6.216 -1.403 -4.392 1.00 55.44 H new ATOM 0 HB ILE A 63 8.814 -0.426 -3.078 1.00 3.31 H new ATOM 0 HG12 ILE A 63 6.356 -1.695 -1.770 1.00 53.45 H new ATOM 0 HG13 ILE A 63 7.876 -2.527 -2.037 1.00 53.45 H new ATOM 0 HG21 ILE A 63 7.383 1.231 -1.933 1.00 43.12 H new ATOM 0 HG22 ILE A 63 7.336 1.427 -3.701 1.00 43.12 H new ATOM 0 HG23 ILE A 63 5.975 0.652 -2.855 1.00 43.12 H new ATOM 0 HD11 ILE A 63 7.675 -1.790 0.279 1.00 23.41 H new ATOM 0 HD12 ILE A 63 9.020 -0.950 -0.528 1.00 23.41 H new ATOM 0 HD13 ILE A 63 7.478 -0.105 -0.257 1.00 23.41 H new ATOM 1030 N ARG A 64 6.739 -0.058 -6.382 1.00 3.23 N ATOM 1031 CA ARG A 64 6.915 0.876 -7.492 1.00 34.12 C ATOM 1032 C ARG A 64 6.622 2.272 -6.944 1.00 43.24 C ATOM 1033 O ARG A 64 5.462 2.643 -6.740 1.00 65.01 O ATOM 1034 CB ARG A 64 5.965 0.516 -8.661 1.00 72.43 C ATOM 1035 CG ARG A 64 6.200 -0.881 -9.265 1.00 40.10 C ATOM 1036 CD ARG A 64 7.600 -1.041 -9.875 1.00 25.45 C ATOM 1037 NE ARG A 64 7.733 -2.318 -10.594 1.00 13.25 N ATOM 1038 CZ ARG A 64 8.536 -2.534 -11.645 1.00 33.23 C ATOM 1039 NH1 ARG A 64 9.303 -1.559 -12.127 1.00 41.11 N ATOM 1040 NH2 ARG A 64 8.546 -3.721 -12.224 1.00 60.34 N ATOM 0 H ARG A 64 5.780 -0.389 -6.279 1.00 3.23 H new ATOM 0 HA ARG A 64 7.929 0.830 -7.890 1.00 34.12 H new ATOM 0 HB2 ARG A 64 4.935 0.577 -8.308 1.00 72.43 H new ATOM 0 HB3 ARG A 64 6.078 1.262 -9.448 1.00 72.43 H new ATOM 0 HG2 ARG A 64 6.059 -1.635 -8.490 1.00 40.10 H new ATOM 0 HG3 ARG A 64 5.451 -1.070 -10.034 1.00 40.10 H new ATOM 0 HD2 ARG A 64 7.796 -0.215 -10.559 1.00 25.45 H new ATOM 0 HD3 ARG A 64 8.350 -0.987 -9.086 1.00 25.45 H new ATOM 0 HE ARG A 64 7.169 -3.102 -10.266 1.00 13.25 H new ATOM 0 HH11 ARG A 64 9.284 -0.635 -11.696 1.00 41.11 H new ATOM 0 HH12 ARG A 64 9.910 -1.736 -12.927 1.00 41.11 H new ATOM 0 HH21 ARG A 64 7.945 -4.466 -11.871 1.00 60.34 H new ATOM 0 HH22 ARG A 64 9.154 -3.893 -13.024 1.00 60.34 H new ATOM 1054 N LYS A 65 7.686 3.025 -6.665 1.00 60.12 N ATOM 1055 CA LYS A 65 7.598 4.309 -5.973 1.00 55.20 C ATOM 1056 C LYS A 65 7.899 5.443 -6.947 1.00 32.30 C ATOM 1057 O LYS A 65 8.969 5.469 -7.577 1.00 20.22 O ATOM 1058 CB LYS A 65 8.574 4.329 -4.769 1.00 32.43 C ATOM 1059 CG LYS A 65 8.626 5.671 -3.999 1.00 61.31 C ATOM 1060 CD LYS A 65 9.550 5.601 -2.768 1.00 50.21 C ATOM 1061 CE LYS A 65 9.644 6.932 -2.009 1.00 42.31 C ATOM 1062 NZ LYS A 65 10.470 6.797 -0.782 1.00 31.53 N ATOM 0 H LYS A 65 8.638 2.759 -6.915 1.00 60.12 H new ATOM 0 HA LYS A 65 6.587 4.448 -5.591 1.00 55.20 H new ATOM 0 HB2 LYS A 65 8.289 3.539 -4.075 1.00 32.43 H new ATOM 0 HB3 LYS A 65 9.576 4.093 -5.127 1.00 32.43 H new ATOM 0 HG2 LYS A 65 8.974 6.458 -4.668 1.00 61.31 H new ATOM 0 HG3 LYS A 65 7.620 5.944 -3.681 1.00 61.31 H new ATOM 0 HD2 LYS A 65 9.185 4.829 -2.091 1.00 50.21 H new ATOM 0 HD3 LYS A 65 10.548 5.300 -3.087 1.00 50.21 H new ATOM 0 HE2 LYS A 65 10.076 7.694 -2.658 1.00 42.31 H new ATOM 0 HE3 LYS A 65 8.644 7.271 -1.741 1.00 42.31 H new ATOM 0 HZ1 LYS A 65 10.571 7.727 -0.327 1.00 31.53 H new ATOM 0 HZ2 LYS A 65 10.008 6.138 -0.123 1.00 31.53 H new ATOM 0 HZ3 LYS A 65 11.410 6.432 -1.035 1.00 31.53 H new ATOM 1076 N THR A 66 6.940 6.361 -7.084 1.00 30.43 N ATOM 1077 CA THR A 66 7.108 7.593 -7.854 1.00 52.11 C ATOM 1078 C THR A 66 6.614 8.772 -7.007 1.00 30.01 C ATOM 1079 O THR A 66 5.458 8.814 -6.587 1.00 13.44 O ATOM 1080 CB THR A 66 6.366 7.512 -9.240 1.00 54.03 C ATOM 1081 OG1 THR A 66 6.338 8.793 -9.882 1.00 35.11 O ATOM 1082 CG2 THR A 66 4.936 6.956 -9.127 1.00 42.25 C ATOM 0 H THR A 66 6.017 6.268 -6.659 1.00 30.43 H new ATOM 0 HA THR A 66 8.163 7.738 -8.085 1.00 52.11 H new ATOM 0 HB THR A 66 6.939 6.811 -9.847 1.00 54.03 H new ATOM 0 HG1 THR A 66 5.874 8.718 -10.742 1.00 35.11 H new ATOM 0 HG21 THR A 66 4.478 6.925 -10.116 1.00 42.25 H new ATOM 0 HG22 THR A 66 4.969 5.949 -8.711 1.00 42.25 H new ATOM 0 HG23 THR A 66 4.346 7.599 -8.474 1.00 42.25 H new ATOM 1090 N GLY A 67 7.524 9.722 -6.746 1.00 31.15 N ATOM 1091 CA GLY A 67 7.211 10.932 -6.000 1.00 23.34 C ATOM 1092 C GLY A 67 7.055 12.106 -6.944 1.00 52.01 C ATOM 1093 O GLY A 67 7.990 12.904 -7.097 1.00 44.34 O ATOM 0 H GLY A 67 8.496 9.665 -7.050 1.00 31.15 H new ATOM 0 HA2 GLY A 67 6.292 10.789 -5.431 1.00 23.34 H new ATOM 0 HA3 GLY A 67 8.003 11.138 -5.280 1.00 23.34 H new ATOM 1097 N GLY A 68 5.870 12.170 -7.584 1.00 42.33 N ATOM 1098 CA GLY A 68 5.570 13.127 -8.652 1.00 73.24 C ATOM 1099 C GLY A 68 5.933 14.571 -8.319 1.00 61.32 C ATOM 1100 O GLY A 68 5.264 15.226 -7.519 1.00 51.14 O ATOM 0 H GLY A 68 5.090 11.549 -7.367 1.00 42.33 H new ATOM 0 HA2 GLY A 68 6.106 12.828 -9.553 1.00 73.24 H new ATOM 0 HA3 GLY A 68 4.506 13.076 -8.882 1.00 73.24 H new ATOM 1104 N SER A 69 7.015 15.050 -8.939 1.00 34.23 N ATOM 1105 CA SER A 69 7.516 16.424 -8.778 1.00 52.11 C ATOM 1106 C SER A 69 6.872 17.367 -9.819 1.00 1.33 C ATOM 1107 O SER A 69 7.516 18.321 -10.278 1.00 34.22 O ATOM 1108 CB SER A 69 9.064 16.403 -8.914 1.00 73.32 C ATOM 1109 OG SER A 69 9.661 15.507 -7.978 1.00 35.13 O ATOM 0 H SER A 69 7.578 14.488 -9.577 1.00 34.23 H new ATOM 0 HA SER A 69 7.246 16.805 -7.793 1.00 52.11 H new ATOM 0 HB2 SER A 69 9.337 16.107 -9.927 1.00 73.32 H new ATOM 0 HB3 SER A 69 9.457 17.408 -8.759 1.00 73.32 H new ATOM 0 HG SER A 69 10.634 15.516 -8.091 1.00 35.13 H new ATOM 1115 N LEU A 70 5.589 17.089 -10.168 1.00 3.51 N ATOM 1116 CA LEU A 70 4.822 17.865 -11.160 1.00 33.44 C ATOM 1117 C LEU A 70 4.750 19.346 -10.731 1.00 1.25 C ATOM 1118 O LEU A 70 4.162 19.683 -9.696 1.00 73.34 O ATOM 1119 CB LEU A 70 3.389 17.264 -11.409 1.00 53.01 C ATOM 1120 CG LEU A 70 2.314 17.348 -10.253 1.00 64.10 C ATOM 1121 CD1 LEU A 70 0.914 16.947 -10.756 1.00 4.13 C ATOM 1122 CD2 LEU A 70 2.696 16.491 -9.029 1.00 40.32 C ATOM 0 H LEU A 70 5.061 16.316 -9.764 1.00 3.51 H new ATOM 0 HA LEU A 70 5.348 17.803 -12.113 1.00 33.44 H new ATOM 0 HB2 LEU A 70 2.971 17.761 -12.285 1.00 53.01 H new ATOM 0 HB3 LEU A 70 3.513 16.212 -11.668 1.00 53.01 H new ATOM 0 HG LEU A 70 2.291 18.391 -9.936 1.00 64.10 H new ATOM 0 HD11 LEU A 70 0.199 17.016 -9.936 1.00 4.13 H new ATOM 0 HD12 LEU A 70 0.610 17.618 -11.560 1.00 4.13 H new ATOM 0 HD13 LEU A 70 0.941 15.923 -11.129 1.00 4.13 H new ATOM 0 HD21 LEU A 70 1.925 16.584 -8.265 1.00 40.32 H new ATOM 0 HD22 LEU A 70 2.785 15.447 -9.329 1.00 40.32 H new ATOM 0 HD23 LEU A 70 3.649 16.835 -8.627 1.00 40.32 H new ATOM 1134 N GLU A 71 5.446 20.202 -11.499 1.00 3.11 N ATOM 1135 CA GLU A 71 5.520 21.654 -11.259 1.00 14.21 C ATOM 1136 C GLU A 71 6.154 21.972 -9.892 1.00 32.22 C ATOM 1137 O GLU A 71 5.652 22.808 -9.129 1.00 61.12 O ATOM 1138 CB GLU A 71 4.128 22.332 -11.495 1.00 63.52 C ATOM 1139 CG GLU A 71 3.845 22.712 -12.971 1.00 20.35 C ATOM 1140 CD GLU A 71 4.286 21.650 -14.004 1.00 11.21 C ATOM 1141 OE1 GLU A 71 3.607 20.609 -14.141 1.00 42.14 O ATOM 1142 OE2 GLU A 71 5.334 21.841 -14.667 1.00 1.02 O ATOM 0 H GLU A 71 5.980 19.901 -12.314 1.00 3.11 H new ATOM 0 HA GLU A 71 6.194 22.096 -11.993 1.00 14.21 H new ATOM 0 HB2 GLU A 71 3.345 21.657 -11.149 1.00 63.52 H new ATOM 0 HB3 GLU A 71 4.067 23.231 -10.882 1.00 63.52 H new ATOM 0 HG2 GLU A 71 2.776 22.892 -13.088 1.00 20.35 H new ATOM 0 HG3 GLU A 71 4.352 23.650 -13.195 1.00 20.35 H new ATOM 1149 N HIS A 72 7.288 21.297 -9.616 1.00 3.20 N ATOM 1150 CA HIS A 72 8.194 21.628 -8.495 1.00 64.24 C ATOM 1151 C HIS A 72 9.061 22.836 -8.920 1.00 20.04 C ATOM 1152 O HIS A 72 10.273 22.730 -9.151 1.00 33.21 O ATOM 1153 CB HIS A 72 9.046 20.382 -8.097 1.00 22.33 C ATOM 1154 CG HIS A 72 9.976 20.586 -6.908 1.00 3.13 C ATOM 1155 ND1 HIS A 72 9.601 20.342 -5.602 1.00 21.52 N ATOM 1156 CD2 HIS A 72 11.265 21.010 -6.841 1.00 32.05 C ATOM 1157 CE1 HIS A 72 10.610 20.609 -4.798 1.00 4.12 C ATOM 1158 NE2 HIS A 72 11.627 21.013 -5.528 1.00 24.13 N ATOM 0 H HIS A 72 7.604 20.500 -10.169 1.00 3.20 H new ATOM 0 HA HIS A 72 7.629 21.904 -7.605 1.00 64.24 H new ATOM 0 HB2 HIS A 72 8.371 19.557 -7.872 1.00 22.33 H new ATOM 0 HB3 HIS A 72 9.643 20.080 -8.957 1.00 22.33 H new ATOM 0 HD2 HIS A 72 11.889 21.293 -7.676 1.00 32.05 H new ATOM 0 HE1 HIS A 72 10.603 20.513 -3.722 1.00 4.12 H new ATOM 0 HE2 HIS A 72 12.542 21.285 -5.168 1.00 24.13 H new ATOM 1167 N HIS A 73 8.360 23.966 -9.085 1.00 42.22 N ATOM 1168 CA HIS A 73 8.902 25.251 -9.521 1.00 53.21 C ATOM 1169 C HIS A 73 7.762 26.280 -9.427 1.00 14.02 C ATOM 1170 O HIS A 73 7.119 26.647 -10.418 1.00 24.22 O ATOM 1171 CB HIS A 73 9.543 25.184 -10.950 1.00 73.24 C ATOM 1172 CG HIS A 73 8.656 24.628 -12.044 1.00 60.50 C ATOM 1173 ND1 HIS A 73 7.781 25.397 -12.778 1.00 50.22 N ATOM 1174 CD2 HIS A 73 8.535 23.377 -12.531 1.00 40.04 C ATOM 1175 CE1 HIS A 73 7.164 24.643 -13.657 1.00 45.44 C ATOM 1176 NE2 HIS A 73 7.606 23.413 -13.527 1.00 44.23 N ATOM 0 H HIS A 73 7.356 24.006 -8.909 1.00 42.22 H new ATOM 0 HA HIS A 73 9.727 25.548 -8.873 1.00 53.21 H new ATOM 0 HB2 HIS A 73 9.854 26.189 -11.236 1.00 73.24 H new ATOM 0 HB3 HIS A 73 10.445 24.575 -10.895 1.00 73.24 H new ATOM 0 HD2 HIS A 73 9.076 22.505 -12.193 1.00 40.04 H new ATOM 0 HE1 HIS A 73 6.420 24.977 -14.366 1.00 45.44 H new ATOM 0 HE2 HIS A 73 7.302 22.613 -14.082 1.00 44.23 H new ATOM 1185 N HIS A 74 7.474 26.681 -8.192 1.00 44.54 N ATOM 1186 CA HIS A 74 6.324 27.545 -7.882 1.00 34.43 C ATOM 1187 C HIS A 74 6.617 29.017 -8.225 1.00 70.13 C ATOM 1188 O HIS A 74 7.770 29.455 -8.155 1.00 73.22 O ATOM 1189 CB HIS A 74 5.930 27.379 -6.385 1.00 31.25 C ATOM 1190 CG HIS A 74 6.914 27.930 -5.358 1.00 53.31 C ATOM 1191 ND1 HIS A 74 6.511 28.613 -4.225 1.00 2.30 N ATOM 1192 CD2 HIS A 74 8.269 27.882 -5.284 1.00 25.13 C ATOM 1193 CE1 HIS A 74 7.567 28.946 -3.512 1.00 52.14 C ATOM 1194 NE2 HIS A 74 8.643 28.516 -4.135 1.00 22.23 N ATOM 0 H HIS A 74 8.026 26.420 -7.375 1.00 44.54 H new ATOM 0 HA HIS A 74 5.481 27.237 -8.501 1.00 34.43 H new ATOM 0 HB2 HIS A 74 4.967 27.865 -6.230 1.00 31.25 H new ATOM 0 HB3 HIS A 74 5.787 26.317 -6.185 1.00 31.25 H new ATOM 0 HD2 HIS A 74 8.931 27.425 -6.004 1.00 25.13 H new ATOM 0 HE1 HIS A 74 7.552 29.482 -2.574 1.00 52.14 H new ATOM 0 HE2 HIS A 74 9.603 28.637 -3.811 1.00 22.23 H new ATOM 1203 N HIS A 75 5.567 29.758 -8.617 1.00 33.14 N ATOM 1204 CA HIS A 75 5.634 31.215 -8.825 1.00 42.44 C ATOM 1205 C HIS A 75 4.227 31.830 -8.746 1.00 55.21 C ATOM 1206 O HIS A 75 3.255 31.271 -9.263 1.00 60.33 O ATOM 1207 CB HIS A 75 6.346 31.596 -10.162 1.00 22.43 C ATOM 1208 CG HIS A 75 5.826 30.916 -11.413 1.00 63.53 C ATOM 1209 ND1 HIS A 75 6.583 30.024 -12.138 1.00 22.23 N ATOM 1210 CD2 HIS A 75 4.653 31.025 -12.085 1.00 20.51 C ATOM 1211 CE1 HIS A 75 5.909 29.626 -13.190 1.00 51.44 C ATOM 1212 NE2 HIS A 75 4.734 30.221 -13.188 1.00 32.53 N ATOM 0 H HIS A 75 4.645 29.362 -8.799 1.00 33.14 H new ATOM 0 HA HIS A 75 6.244 31.632 -8.023 1.00 42.44 H new ATOM 0 HB2 HIS A 75 6.264 32.674 -10.299 1.00 22.43 H new ATOM 0 HB3 HIS A 75 7.407 31.367 -10.063 1.00 22.43 H new ATOM 0 HD2 HIS A 75 3.809 31.636 -11.801 1.00 20.51 H new ATOM 0 HE1 HIS A 75 6.259 28.926 -13.935 1.00 51.44 H new ATOM 0 HE2 HIS A 75 4.006 30.102 -13.892 1.00 32.53 H new ATOM 1221 N HIS A 76 4.142 32.990 -8.082 1.00 23.33 N ATOM 1222 CA HIS A 76 2.890 33.760 -7.924 1.00 45.34 C ATOM 1223 C HIS A 76 2.833 34.925 -8.933 1.00 40.53 C ATOM 1224 O HIS A 76 2.049 35.868 -8.757 1.00 45.40 O ATOM 1225 CB HIS A 76 2.770 34.267 -6.461 1.00 71.01 C ATOM 1226 CG HIS A 76 2.591 33.173 -5.438 1.00 20.25 C ATOM 1227 ND1 HIS A 76 1.450 33.026 -4.681 1.00 32.13 N ATOM 1228 CD2 HIS A 76 3.421 32.177 -5.041 1.00 53.34 C ATOM 1229 CE1 HIS A 76 1.586 31.995 -3.875 1.00 33.43 C ATOM 1230 NE2 HIS A 76 2.775 31.468 -4.073 1.00 74.44 N ATOM 0 H HIS A 76 4.946 33.429 -7.633 1.00 23.33 H new ATOM 0 HA HIS A 76 2.041 33.110 -8.134 1.00 45.34 H new ATOM 0 HB2 HIS A 76 3.664 34.838 -6.212 1.00 71.01 H new ATOM 0 HB3 HIS A 76 1.925 34.952 -6.394 1.00 71.01 H new ATOM 0 HD2 HIS A 76 4.412 31.981 -5.422 1.00 53.34 H new ATOM 0 HE1 HIS A 76 0.847 31.642 -3.171 1.00 33.43 H new ATOM 0 HE2 HIS A 76 3.153 30.658 -3.581 1.00 74.44 H new ATOM 1239 N HIS A 77 3.658 34.822 -10.007 1.00 72.13 N ATOM 1240 CA HIS A 77 3.691 35.777 -11.144 1.00 74.50 C ATOM 1241 C HIS A 77 4.165 37.185 -10.680 1.00 51.34 C ATOM 1242 O HIS A 77 3.334 38.032 -10.325 1.00 34.05 O ATOM 1243 CB HIS A 77 2.317 35.832 -11.889 1.00 74.13 C ATOM 1244 CG HIS A 77 1.923 34.540 -12.577 1.00 72.30 C ATOM 1245 ND1 HIS A 77 1.790 34.422 -13.945 1.00 11.14 N ATOM 1246 CD2 HIS A 77 1.621 33.314 -12.076 1.00 65.42 C ATOM 1247 CE1 HIS A 77 1.415 33.196 -14.246 1.00 15.41 C ATOM 1248 NE2 HIS A 77 1.309 32.505 -13.130 1.00 3.41 N ATOM 1249 OXT HIS A 77 5.384 37.425 -10.641 1.00 38.68 O ATOM 0 H HIS A 77 4.329 34.061 -10.108 1.00 72.13 H new ATOM 0 HA HIS A 77 4.423 35.413 -11.865 1.00 74.50 H new ATOM 0 HB2 HIS A 77 1.540 36.099 -11.173 1.00 74.13 H new ATOM 0 HB3 HIS A 77 2.353 36.628 -12.632 1.00 74.13 H new ATOM 0 HD2 HIS A 77 1.627 33.031 -11.034 1.00 65.42 H new ATOM 0 HE1 HIS A 77 1.226 32.820 -15.241 1.00 15.41 H new ATOM 0 HE2 HIS A 77 1.038 31.524 -13.064 1.00 3.41 H new TER 1258 HIS A 77