USER MOD reduce.3.24.130724 H: found=0, std=0, add=1158, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1158 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 72 SER OG : rot 69:sc= 1.28 USER MOD Set 1.2: A 102 TYR OH : rot 143:sc= 0.473 USER MOD Set 2.1: A 49 LYS NZ :NH3+ 179:sc= 0.795 (180deg=-0.00146) USER MOD Set 2.2: A 76 TYR OH : rot -93:sc= 1.31 USER MOD Set 3.1: A 9 THR OG1 : rot -90:sc= -0.131 USER MOD Set 3.2: A 83 GLN : amide:sc= -1.12 K(o=-1.3,f=-4.2!) USER MOD Set 4.1: A 2 LYS NZ :NH3+ 178:sc= 0.346 (180deg=0.517) USER MOD Set 4.2: A 50 ASN : amide:sc= 0.454 K(o=0.8,f=-8.1!) USER MOD Single : A 1 MET CE :methyl -165:sc= -0.0747 (180deg=-0.381) USER MOD Single : A 1 MET N :NH3+ -134:sc= 0.117 (180deg=-0.0382) USER MOD Single : A 8 ASN : amide:sc= 0.082 X(o=0.082,f=0) USER MOD Single : A 10 ASN : amide:sc=-0.00964 X(o=-0.0096,f=-0.0096) USER MOD Single : A 11 ASN : amide:sc= -2.04! K(o=-2!,f=-1) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 177:sc= -0.144 (180deg=-0.148) USER MOD Single : A 19 LYS NZ :NH3+ 139:sc= 0.611 (180deg=-0.786) USER MOD Single : A 20 LYS NZ :NH3+ 178:sc= 0.439 (180deg=0.435) USER MOD Single : A 24 ASN : amide:sc= -0.101 K(o=-0.1,f=-2.3!) USER MOD Single : A 25 GLN : amide:sc= -0.0733 X(o=-0.073,f=-0.12) USER MOD Single : A 27 TYR OH : rot 30:sc= -0.445 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 ASN : amide:sc= 0.0136 K(o=0.014,f=-1.5) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 171:sc= 0.493 (180deg=0.452) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 136:sc= -2.23! (180deg=-5.61!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 156:sc= 0.0539 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -175:sc= 1.19 (180deg=1.13) USER MOD Single : A 58 SER OG : rot -106:sc= 0.527 USER MOD Single : A 59 ASN : amide:sc= -0.216 K(o=-0.22,f=-3.4!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 MET CE :methyl -127:sc= -0.714 (180deg=-2.21) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 176:sc= -0.0115 (180deg=-0.0328) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 88 ASN : amide:sc= -0.604 K(o=-0.6,f=-0.0077) USER MOD Single : A 94 LYS NZ :NH3+ 139:sc= 0.322 (180deg=0.232) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= -0.773 X(o=-0.77,f=-1) USER MOD Single : A 106 LYS NZ :NH3+ 179:sc= 0.418 (180deg=0.418) USER MOD Single : A 108 THR OG1 : rot 77:sc= 0.0751 USER MOD Single : A 115 LYS NZ :NH3+ -118:sc= 0.818 (180deg=-0.000211) USER MOD Single : A 121 MET CE :methyl 179:sc= -0.358 (180deg=-0.372) USER MOD Single : A 122 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 123 LYS NZ :NH3+ -119:sc= 1.04 (180deg=-0.0924) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 129 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 130 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 131 HIS : no HD1:sc= -1.19 K(o=-1.2,f=-0.046) USER MOD Single : A 132 HIS : no HD1:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 133 HIS : no HD1:sc= 0 X(o=0,f=-0.0023) USER MOD Single : A 134 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.686 8.233 15.710 1.00 1.21 N ATOM 2 CA MET A 1 0.554 7.858 14.278 1.00 32.31 C ATOM 3 C MET A 1 1.132 6.456 14.040 1.00 41.21 C ATOM 4 O MET A 1 1.592 5.797 14.970 1.00 71.23 O ATOM 5 CB MET A 1 1.275 8.890 13.362 1.00 21.04 C ATOM 6 CG MET A 1 0.715 10.311 13.432 1.00 72.23 C ATOM 7 SD MET A 1 1.587 11.466 12.343 1.00 44.42 S ATOM 8 CE MET A 1 3.256 11.451 13.016 1.00 52.42 C ATOM 0 H1 MET A 1 -0.211 8.637 16.047 1.00 1.21 H new ATOM 0 H2 MET A 1 0.917 7.388 16.270 1.00 1.21 H new ATOM 0 H3 MET A 1 1.444 8.937 15.816 1.00 1.21 H new ATOM 0 HA MET A 1 -0.507 7.856 14.027 1.00 32.31 H new ATOM 0 HB2 MET A 1 2.331 8.917 13.630 1.00 21.04 H new ATOM 0 HB3 MET A 1 1.217 8.542 12.331 1.00 21.04 H new ATOM 0 HG2 MET A 1 -0.341 10.294 13.164 1.00 72.23 H new ATOM 0 HG3 MET A 1 0.777 10.671 14.459 1.00 72.23 H new ATOM 0 HE1 MET A 1 3.815 12.299 12.621 1.00 52.42 H new ATOM 0 HE2 MET A 1 3.211 11.521 14.103 1.00 52.42 H new ATOM 0 HE3 MET A 1 3.754 10.524 12.732 1.00 52.42 H new ATOM 20 N LYS A 2 1.074 6.012 12.775 1.00 54.34 N ATOM 21 CA LYS A 2 1.666 4.749 12.304 1.00 42.21 C ATOM 22 C LYS A 2 2.322 4.988 10.944 1.00 14.10 C ATOM 23 O LYS A 2 2.005 5.967 10.245 1.00 22.41 O ATOM 24 CB LYS A 2 0.592 3.626 12.150 1.00 5.44 C ATOM 25 CG LYS A 2 0.019 3.067 13.465 1.00 31.04 C ATOM 26 CD LYS A 2 -1.040 1.966 13.219 1.00 2.01 C ATOM 27 CE LYS A 2 -1.595 1.378 14.522 1.00 62.30 C ATOM 28 NZ LYS A 2 -0.556 0.674 15.320 1.00 40.22 N ATOM 0 H LYS A 2 0.604 6.532 12.034 1.00 54.34 H new ATOM 0 HA LYS A 2 2.397 4.423 13.044 1.00 42.21 H new ATOM 0 HB2 LYS A 2 -0.232 4.016 11.553 1.00 5.44 H new ATOM 0 HB3 LYS A 2 1.032 2.802 11.587 1.00 5.44 H new ATOM 0 HG2 LYS A 2 0.830 2.660 14.069 1.00 31.04 H new ATOM 0 HG3 LYS A 2 -0.429 3.879 14.038 1.00 31.04 H new ATOM 0 HD2 LYS A 2 -1.861 2.381 12.634 1.00 2.01 H new ATOM 0 HD3 LYS A 2 -0.597 1.167 12.624 1.00 2.01 H new ATOM 0 HE2 LYS A 2 -2.028 2.178 15.122 1.00 62.30 H new ATOM 0 HE3 LYS A 2 -2.401 0.683 14.288 1.00 62.30 H new ATOM 0 HZ1 LYS A 2 -0.975 0.325 16.205 1.00 40.22 H new ATOM 0 HZ2 LYS A 2 -0.183 -0.129 14.774 1.00 40.22 H new ATOM 0 HZ3 LYS A 2 0.218 1.333 15.540 1.00 40.22 H new ATOM 42 N ILE A 3 3.239 4.089 10.588 1.00 71.24 N ATOM 43 CA ILE A 3 3.802 3.995 9.247 1.00 45.51 C ATOM 44 C ILE A 3 3.026 2.906 8.499 1.00 20.44 C ATOM 45 O ILE A 3 3.132 1.726 8.849 1.00 43.22 O ATOM 46 CB ILE A 3 5.330 3.630 9.294 1.00 62.44 C ATOM 47 CG1 ILE A 3 6.134 4.636 10.186 1.00 43.13 C ATOM 48 CG2 ILE A 3 5.923 3.549 7.872 1.00 4.44 C ATOM 49 CD1 ILE A 3 6.042 6.099 9.764 1.00 1.14 C ATOM 0 H ILE A 3 3.615 3.396 11.235 1.00 71.24 H new ATOM 0 HA ILE A 3 3.715 4.957 8.741 1.00 45.51 H new ATOM 0 HB ILE A 3 5.419 2.645 9.752 1.00 62.44 H new ATOM 0 HG12 ILE A 3 5.780 4.548 11.213 1.00 43.13 H new ATOM 0 HG13 ILE A 3 7.183 4.340 10.184 1.00 43.13 H new ATOM 0 HG21 ILE A 3 6.981 3.295 7.933 1.00 4.44 H new ATOM 0 HG22 ILE A 3 5.398 2.782 7.302 1.00 4.44 H new ATOM 0 HG23 ILE A 3 5.809 4.512 7.375 1.00 4.44 H new ATOM 0 HD11 ILE A 3 6.633 6.712 10.445 1.00 1.14 H new ATOM 0 HD12 ILE A 3 6.426 6.210 8.750 1.00 1.14 H new ATOM 0 HD13 ILE A 3 5.001 6.422 9.795 1.00 1.14 H new ATOM 61 N LEU A 4 2.213 3.297 7.511 1.00 74.31 N ATOM 62 CA LEU A 4 1.423 2.351 6.712 1.00 31.34 C ATOM 63 C LEU A 4 1.950 2.365 5.278 1.00 3.13 C ATOM 64 O LEU A 4 1.789 3.358 4.569 1.00 55.01 O ATOM 65 CB LEU A 4 -0.090 2.714 6.743 1.00 73.14 C ATOM 66 CG LEU A 4 -0.766 2.816 8.151 1.00 31.44 C ATOM 67 CD1 LEU A 4 -2.271 3.142 8.030 1.00 54.15 C ATOM 68 CD2 LEU A 4 -0.545 1.538 8.983 1.00 52.14 C ATOM 0 H LEU A 4 2.084 4.273 7.243 1.00 74.31 H new ATOM 0 HA LEU A 4 1.524 1.351 7.135 1.00 31.34 H new ATOM 0 HB2 LEU A 4 -0.220 3.669 6.235 1.00 73.14 H new ATOM 0 HB3 LEU A 4 -0.630 1.967 6.161 1.00 73.14 H new ATOM 0 HG LEU A 4 -0.285 3.640 8.679 1.00 31.44 H new ATOM 0 HD11 LEU A 4 -2.711 3.206 9.025 1.00 54.15 H new ATOM 0 HD12 LEU A 4 -2.397 4.095 7.516 1.00 54.15 H new ATOM 0 HD13 LEU A 4 -2.769 2.356 7.463 1.00 54.15 H new ATOM 0 HD21 LEU A 4 -1.029 1.647 9.953 1.00 52.14 H new ATOM 0 HD22 LEU A 4 -0.973 0.684 8.458 1.00 52.14 H new ATOM 0 HD23 LEU A 4 0.524 1.378 9.127 1.00 52.14 H new ATOM 80 N ILE A 5 2.619 1.286 4.861 1.00 41.23 N ATOM 81 CA ILE A 5 3.043 1.130 3.468 1.00 61.34 C ATOM 82 C ILE A 5 1.885 0.450 2.726 1.00 62.12 C ATOM 83 O ILE A 5 1.658 -0.752 2.874 1.00 1.30 O ATOM 84 CB ILE A 5 4.377 0.299 3.340 1.00 44.11 C ATOM 85 CG1 ILE A 5 5.498 0.875 4.272 1.00 35.52 C ATOM 86 CG2 ILE A 5 4.859 0.222 1.864 1.00 21.12 C ATOM 87 CD1 ILE A 5 5.947 2.295 3.952 1.00 74.14 C ATOM 0 H ILE A 5 2.878 0.509 5.468 1.00 41.23 H new ATOM 0 HA ILE A 5 3.267 2.104 3.032 1.00 61.34 H new ATOM 0 HB ILE A 5 4.161 -0.717 3.669 1.00 44.11 H new ATOM 0 HG12 ILE A 5 5.141 0.848 5.301 1.00 35.52 H new ATOM 0 HG13 ILE A 5 6.365 0.217 4.219 1.00 35.52 H new ATOM 0 HG21 ILE A 5 5.781 -0.358 1.812 1.00 21.12 H new ATOM 0 HG22 ILE A 5 4.093 -0.259 1.256 1.00 21.12 H new ATOM 0 HG23 ILE A 5 5.042 1.229 1.488 1.00 21.12 H new ATOM 0 HD11 ILE A 5 6.724 2.598 4.654 1.00 74.14 H new ATOM 0 HD12 ILE A 5 6.341 2.332 2.936 1.00 74.14 H new ATOM 0 HD13 ILE A 5 5.098 2.973 4.036 1.00 74.14 H new ATOM 99 N LEU A 6 1.124 1.243 1.972 1.00 62.05 N ATOM 100 CA LEU A 6 -0.064 0.773 1.249 1.00 11.25 C ATOM 101 C LEU A 6 0.427 0.282 -0.124 1.00 13.35 C ATOM 102 O LEU A 6 1.189 0.982 -0.779 1.00 64.43 O ATOM 103 CB LEU A 6 -1.093 1.948 1.106 1.00 43.14 C ATOM 104 CG LEU A 6 -2.624 1.592 1.175 1.00 22.23 C ATOM 105 CD1 LEU A 6 -3.012 0.390 0.275 1.00 73.24 C ATOM 106 CD2 LEU A 6 -3.073 1.376 2.637 1.00 51.52 C ATOM 0 H LEU A 6 1.313 2.237 1.843 1.00 62.05 H new ATOM 0 HA LEU A 6 -0.572 -0.034 1.777 1.00 11.25 H new ATOM 0 HB2 LEU A 6 -0.882 2.676 1.890 1.00 43.14 H new ATOM 0 HB3 LEU A 6 -0.906 2.443 0.153 1.00 43.14 H new ATOM 0 HG LEU A 6 -3.163 2.450 0.773 1.00 22.23 H new ATOM 0 HD11 LEU A 6 -4.081 0.196 0.368 1.00 73.24 H new ATOM 0 HD12 LEU A 6 -2.774 0.621 -0.763 1.00 73.24 H new ATOM 0 HD13 LEU A 6 -2.454 -0.493 0.587 1.00 73.24 H new ATOM 0 HD21 LEU A 6 -4.135 1.131 2.659 1.00 51.52 H new ATOM 0 HD22 LEU A 6 -2.503 0.557 3.076 1.00 51.52 H new ATOM 0 HD23 LEU A 6 -2.899 2.287 3.209 1.00 51.52 H new ATOM 118 N ILE A 7 0.036 -0.929 -0.539 1.00 13.31 N ATOM 119 CA ILE A 7 0.442 -1.508 -1.842 1.00 52.21 C ATOM 120 C ILE A 7 -0.767 -2.195 -2.498 1.00 4.25 C ATOM 121 O ILE A 7 -1.475 -2.973 -1.849 1.00 53.23 O ATOM 122 CB ILE A 7 1.642 -2.537 -1.686 1.00 4.40 C ATOM 123 CG1 ILE A 7 2.866 -1.848 -0.995 1.00 51.53 C ATOM 124 CG2 ILE A 7 2.049 -3.144 -3.057 1.00 1.13 C ATOM 125 CD1 ILE A 7 4.021 -2.756 -0.671 1.00 61.21 C ATOM 0 H ILE A 7 -0.569 -1.540 0.011 1.00 13.31 H new ATOM 0 HA ILE A 7 0.794 -0.695 -2.477 1.00 52.21 H new ATOM 0 HB ILE A 7 1.303 -3.356 -1.052 1.00 4.40 H new ATOM 0 HG12 ILE A 7 3.225 -1.049 -1.644 1.00 51.53 H new ATOM 0 HG13 ILE A 7 2.524 -1.380 -0.072 1.00 51.53 H new ATOM 0 HG21 ILE A 7 2.873 -3.844 -2.915 1.00 1.13 H new ATOM 0 HG22 ILE A 7 1.197 -3.669 -3.490 1.00 1.13 H new ATOM 0 HG23 ILE A 7 2.363 -2.346 -3.729 1.00 1.13 H new ATOM 0 HD11 ILE A 7 4.815 -2.180 -0.196 1.00 61.21 H new ATOM 0 HD12 ILE A 7 3.687 -3.542 0.007 1.00 61.21 H new ATOM 0 HD13 ILE A 7 4.399 -3.206 -1.589 1.00 61.21 H new ATOM 137 N ASN A 8 -1.011 -1.878 -3.782 1.00 60.44 N ATOM 138 CA ASN A 8 -2.026 -2.551 -4.602 1.00 73.13 C ATOM 139 C ASN A 8 -1.322 -3.303 -5.734 1.00 24.22 C ATOM 140 O ASN A 8 -0.750 -2.687 -6.631 1.00 31.40 O ATOM 141 CB ASN A 8 -3.021 -1.494 -5.157 1.00 50.01 C ATOM 142 CG ASN A 8 -4.058 -2.031 -6.157 1.00 44.31 C ATOM 143 OD1 ASN A 8 -3.863 -1.956 -7.370 1.00 73.12 O ATOM 144 ND2 ASN A 8 -5.163 -2.574 -5.663 1.00 64.51 N ATOM 0 H ASN A 8 -0.506 -1.144 -4.279 1.00 60.44 H new ATOM 0 HA ASN A 8 -2.592 -3.267 -4.006 1.00 73.13 H new ATOM 0 HB2 ASN A 8 -3.550 -1.041 -4.318 1.00 50.01 H new ATOM 0 HB3 ASN A 8 -2.451 -0.701 -5.640 1.00 50.01 H new ATOM 0 HD21 ASN A 8 -5.876 -2.942 -6.293 1.00 64.51 H new ATOM 0 HD22 ASN A 8 -5.300 -2.624 -4.653 1.00 64.51 H new ATOM 151 N THR A 9 -1.328 -4.633 -5.638 1.00 2.40 N ATOM 152 CA THR A 9 -0.938 -5.538 -6.717 1.00 30.44 C ATOM 153 C THR A 9 -2.055 -6.576 -6.894 1.00 51.40 C ATOM 154 O THR A 9 -2.457 -7.231 -5.922 1.00 0.52 O ATOM 155 CB THR A 9 0.457 -6.210 -6.452 1.00 52.34 C ATOM 156 OG1 THR A 9 0.759 -7.157 -7.496 1.00 5.14 O ATOM 157 CG2 THR A 9 0.550 -6.899 -5.074 1.00 71.53 C ATOM 0 H THR A 9 -1.611 -5.121 -4.788 1.00 2.40 H new ATOM 0 HA THR A 9 -0.814 -4.973 -7.641 1.00 30.44 H new ATOM 0 HB THR A 9 1.193 -5.406 -6.452 1.00 52.34 H new ATOM 0 HG1 THR A 9 0.415 -8.040 -7.246 1.00 5.14 H new ATOM 0 HG21 THR A 9 1.538 -7.343 -4.955 1.00 71.53 H new ATOM 0 HG22 THR A 9 0.386 -6.163 -4.287 1.00 71.53 H new ATOM 0 HG23 THR A 9 -0.208 -7.679 -5.005 1.00 71.53 H new ATOM 165 N ASN A 10 -2.572 -6.708 -8.128 1.00 32.03 N ATOM 166 CA ASN A 10 -3.668 -7.650 -8.452 1.00 51.11 C ATOM 167 C ASN A 10 -3.122 -9.091 -8.573 1.00 3.03 C ATOM 168 O ASN A 10 -3.878 -10.068 -8.537 1.00 42.13 O ATOM 169 CB ASN A 10 -4.381 -7.187 -9.757 1.00 5.22 C ATOM 170 CG ASN A 10 -5.506 -8.120 -10.220 1.00 3.13 C ATOM 171 OD1 ASN A 10 -6.646 -8.024 -9.761 1.00 21.32 O ATOM 172 ND2 ASN A 10 -5.202 -9.004 -11.160 1.00 3.14 N ATOM 0 H ASN A 10 -2.246 -6.168 -8.930 1.00 32.03 H new ATOM 0 HA ASN A 10 -4.402 -7.651 -7.646 1.00 51.11 H new ATOM 0 HB2 ASN A 10 -4.792 -6.190 -9.600 1.00 5.22 H new ATOM 0 HB3 ASN A 10 -3.641 -7.105 -10.553 1.00 5.22 H new ATOM 0 HD21 ASN A 10 -5.921 -9.629 -11.524 1.00 3.14 H new ATOM 0 HD22 ASN A 10 -4.249 -9.059 -11.520 1.00 3.14 H new ATOM 179 N ASN A 11 -1.787 -9.198 -8.654 1.00 51.40 N ATOM 180 CA ASN A 11 -1.085 -10.468 -8.842 1.00 71.30 C ATOM 181 C ASN A 11 -0.676 -11.050 -7.473 1.00 65.12 C ATOM 182 O ASN A 11 0.083 -10.421 -6.720 1.00 63.51 O ATOM 183 CB ASN A 11 0.148 -10.258 -9.755 1.00 60.44 C ATOM 184 CG ASN A 11 0.900 -11.550 -10.081 1.00 15.43 C ATOM 185 OD1 ASN A 11 0.339 -12.648 -10.058 1.00 31.03 O ATOM 186 ND2 ASN A 11 2.162 -11.423 -10.439 1.00 40.12 N ATOM 0 H ASN A 11 -1.162 -8.395 -8.590 1.00 51.40 H new ATOM 0 HA ASN A 11 -1.749 -11.183 -9.328 1.00 71.30 H new ATOM 0 HB2 ASN A 11 -0.175 -9.792 -10.686 1.00 60.44 H new ATOM 0 HB3 ASN A 11 0.833 -9.562 -9.271 1.00 60.44 H new ATOM 0 HD21 ASN A 11 2.701 -12.246 -10.707 1.00 40.12 H new ATOM 0 HD22 ASN A 11 2.599 -10.502 -10.448 1.00 40.12 H new ATOM 193 N ASP A 12 -1.192 -12.264 -7.186 1.00 3.11 N ATOM 194 CA ASP A 12 -0.946 -13.012 -5.930 1.00 33.35 C ATOM 195 C ASP A 12 0.556 -13.290 -5.693 1.00 54.32 C ATOM 196 O ASP A 12 1.006 -13.349 -4.533 1.00 15.32 O ATOM 197 CB ASP A 12 -1.747 -14.338 -5.958 1.00 13.21 C ATOM 198 CG ASP A 12 -1.545 -15.192 -4.689 1.00 63.11 C ATOM 199 OD1 ASP A 12 -2.172 -14.888 -3.646 1.00 43.11 O ATOM 200 OD2 ASP A 12 -0.744 -16.155 -4.721 1.00 50.32 O ATOM 0 H ASP A 12 -1.803 -12.763 -7.832 1.00 3.11 H new ATOM 0 HA ASP A 12 -1.283 -12.392 -5.099 1.00 33.35 H new ATOM 0 HB2 ASP A 12 -2.807 -14.113 -6.073 1.00 13.21 H new ATOM 0 HB3 ASP A 12 -1.448 -14.918 -6.831 1.00 13.21 H new ATOM 205 N GLU A 13 1.312 -13.428 -6.805 1.00 43.44 N ATOM 206 CA GLU A 13 2.768 -13.652 -6.774 1.00 20.34 C ATOM 207 C GLU A 13 3.459 -12.517 -5.999 1.00 74.52 C ATOM 208 O GLU A 13 4.194 -12.771 -5.049 1.00 14.22 O ATOM 209 CB GLU A 13 3.341 -13.757 -8.214 1.00 24.31 C ATOM 210 CG GLU A 13 2.766 -14.919 -9.041 1.00 55.35 C ATOM 211 CD GLU A 13 3.338 -14.989 -10.466 1.00 11.23 C ATOM 212 OE1 GLU A 13 2.874 -14.229 -11.338 1.00 55.45 O ATOM 213 OE2 GLU A 13 4.274 -15.783 -10.719 1.00 42.02 O ATOM 0 H GLU A 13 0.926 -13.387 -7.748 1.00 43.44 H new ATOM 0 HA GLU A 13 2.963 -14.595 -6.264 1.00 20.34 H new ATOM 0 HB2 GLU A 13 3.146 -12.822 -8.739 1.00 24.31 H new ATOM 0 HB3 GLU A 13 4.424 -13.870 -8.154 1.00 24.31 H new ATOM 0 HG2 GLU A 13 2.971 -15.858 -8.528 1.00 55.35 H new ATOM 0 HG3 GLU A 13 1.682 -14.816 -9.096 1.00 55.35 H new ATOM 220 N LEU A 14 3.150 -11.259 -6.378 1.00 54.15 N ATOM 221 CA LEU A 14 3.757 -10.070 -5.742 1.00 54.13 C ATOM 222 C LEU A 14 3.275 -9.875 -4.297 1.00 55.35 C ATOM 223 O LEU A 14 4.040 -9.379 -3.486 1.00 11.34 O ATOM 224 CB LEU A 14 3.535 -8.767 -6.566 1.00 54.24 C ATOM 225 CG LEU A 14 4.523 -8.524 -7.752 1.00 74.01 C ATOM 226 CD1 LEU A 14 5.999 -8.489 -7.271 1.00 14.43 C ATOM 227 CD2 LEU A 14 4.311 -9.539 -8.888 1.00 10.44 C ATOM 0 H LEU A 14 2.485 -11.040 -7.120 1.00 54.15 H new ATOM 0 HA LEU A 14 4.829 -10.267 -5.720 1.00 54.13 H new ATOM 0 HB2 LEU A 14 2.520 -8.782 -6.963 1.00 54.24 H new ATOM 0 HB3 LEU A 14 3.599 -7.917 -5.887 1.00 54.24 H new ATOM 0 HG LEU A 14 4.299 -7.539 -8.162 1.00 74.01 H new ATOM 0 HD11 LEU A 14 6.656 -8.318 -8.124 1.00 14.43 H new ATOM 0 HD12 LEU A 14 6.127 -7.684 -6.548 1.00 14.43 H new ATOM 0 HD13 LEU A 14 6.252 -9.441 -6.803 1.00 14.43 H new ATOM 0 HD21 LEU A 14 5.017 -9.336 -9.693 1.00 10.44 H new ATOM 0 HD22 LEU A 14 4.473 -10.548 -8.509 1.00 10.44 H new ATOM 0 HD23 LEU A 14 3.293 -9.453 -9.268 1.00 10.44 H new ATOM 239 N ILE A 15 2.022 -10.266 -3.985 1.00 41.03 N ATOM 240 CA ILE A 15 1.479 -10.168 -2.605 1.00 72.21 C ATOM 241 C ILE A 15 2.418 -10.905 -1.615 1.00 12.44 C ATOM 242 O ILE A 15 2.975 -10.292 -0.693 1.00 23.31 O ATOM 243 CB ILE A 15 -0.002 -10.733 -2.507 1.00 33.13 C ATOM 244 CG1 ILE A 15 -0.959 -9.953 -3.474 1.00 12.22 C ATOM 245 CG2 ILE A 15 -0.537 -10.697 -1.046 1.00 64.21 C ATOM 246 CD1 ILE A 15 -2.415 -10.414 -3.467 1.00 53.43 C ATOM 0 H ILE A 15 1.366 -10.652 -4.664 1.00 41.03 H new ATOM 0 HA ILE A 15 1.434 -9.113 -2.336 1.00 72.21 H new ATOM 0 HB ILE A 15 0.024 -11.778 -2.817 1.00 33.13 H new ATOM 0 HG12 ILE A 15 -0.929 -8.895 -3.212 1.00 12.22 H new ATOM 0 HG13 ILE A 15 -0.573 -10.041 -4.489 1.00 12.22 H new ATOM 0 HG21 ILE A 15 -1.553 -11.092 -1.021 1.00 64.21 H new ATOM 0 HG22 ILE A 15 0.105 -11.305 -0.408 1.00 64.21 H new ATOM 0 HG23 ILE A 15 -0.538 -9.669 -0.684 1.00 64.21 H new ATOM 0 HD11 ILE A 15 -2.991 -9.811 -4.169 1.00 53.43 H new ATOM 0 HD12 ILE A 15 -2.466 -11.462 -3.762 1.00 53.43 H new ATOM 0 HD13 ILE A 15 -2.828 -10.298 -2.465 1.00 53.43 H new ATOM 258 N LYS A 16 2.681 -12.193 -1.906 1.00 0.31 N ATOM 259 CA LYS A 16 3.478 -13.071 -1.027 1.00 5.12 C ATOM 260 C LYS A 16 5.002 -12.757 -1.101 1.00 25.45 C ATOM 261 O LYS A 16 5.715 -12.920 -0.100 1.00 11.02 O ATOM 262 CB LYS A 16 3.183 -14.562 -1.367 1.00 62.45 C ATOM 263 CG LYS A 16 3.578 -14.986 -2.800 1.00 32.11 C ATOM 264 CD LYS A 16 3.178 -16.441 -3.158 1.00 23.40 C ATOM 265 CE LYS A 16 3.761 -17.490 -2.196 1.00 74.35 C ATOM 266 NZ LYS A 16 3.436 -18.882 -2.626 1.00 15.10 N ATOM 0 H LYS A 16 2.349 -12.653 -2.753 1.00 0.31 H new ATOM 0 HA LYS A 16 3.180 -12.878 0.004 1.00 5.12 H new ATOM 0 HB2 LYS A 16 3.714 -15.195 -0.656 1.00 62.45 H new ATOM 0 HB3 LYS A 16 2.118 -14.749 -1.227 1.00 62.45 H new ATOM 0 HG2 LYS A 16 3.110 -14.306 -3.512 1.00 32.11 H new ATOM 0 HG3 LYS A 16 4.656 -14.877 -2.916 1.00 32.11 H new ATOM 0 HD2 LYS A 16 2.091 -16.522 -3.156 1.00 23.40 H new ATOM 0 HD3 LYS A 16 3.512 -16.663 -4.171 1.00 23.40 H new ATOM 0 HE2 LYS A 16 4.843 -17.370 -2.141 1.00 74.35 H new ATOM 0 HE3 LYS A 16 3.370 -17.319 -1.193 1.00 74.35 H new ATOM 0 HZ1 LYS A 16 3.847 -19.559 -1.951 1.00 15.10 H new ATOM 0 HZ2 LYS A 16 2.404 -19.005 -2.654 1.00 15.10 H new ATOM 0 HZ3 LYS A 16 3.831 -19.054 -3.573 1.00 15.10 H new ATOM 280 N LYS A 17 5.486 -12.295 -2.281 1.00 14.35 N ATOM 281 CA LYS A 17 6.906 -11.887 -2.478 1.00 53.44 C ATOM 282 C LYS A 17 7.244 -10.653 -1.616 1.00 51.13 C ATOM 283 O LYS A 17 8.219 -10.670 -0.859 1.00 64.31 O ATOM 284 CB LYS A 17 7.205 -11.592 -3.982 1.00 11.22 C ATOM 285 CG LYS A 17 7.313 -12.850 -4.873 1.00 43.12 C ATOM 286 CD LYS A 17 7.378 -12.515 -6.386 1.00 74.13 C ATOM 287 CE LYS A 17 8.597 -11.660 -6.769 1.00 70.34 C ATOM 288 NZ LYS A 17 8.601 -11.311 -8.217 1.00 24.10 N ATOM 0 H LYS A 17 4.912 -12.194 -3.118 1.00 14.35 H new ATOM 0 HA LYS A 17 7.536 -12.718 -2.162 1.00 53.44 H new ATOM 0 HB2 LYS A 17 6.418 -10.949 -4.377 1.00 11.22 H new ATOM 0 HB3 LYS A 17 8.138 -11.032 -4.051 1.00 11.22 H new ATOM 0 HG2 LYS A 17 8.203 -13.412 -4.592 1.00 43.12 H new ATOM 0 HG3 LYS A 17 6.455 -13.496 -4.686 1.00 43.12 H new ATOM 0 HD2 LYS A 17 7.401 -13.444 -6.956 1.00 74.13 H new ATOM 0 HD3 LYS A 17 6.468 -11.987 -6.673 1.00 74.13 H new ATOM 0 HE2 LYS A 17 8.599 -10.746 -6.176 1.00 70.34 H new ATOM 0 HE3 LYS A 17 9.511 -12.201 -6.524 1.00 70.34 H new ATOM 0 HZ1 LYS A 17 9.411 -10.693 -8.423 1.00 24.10 H new ATOM 0 HZ2 LYS A 17 8.676 -12.180 -8.783 1.00 24.10 H new ATOM 0 HZ3 LYS A 17 7.718 -10.816 -8.457 1.00 24.10 H new ATOM 302 N ILE A 18 6.393 -9.609 -1.729 1.00 55.41 N ATOM 303 CA ILE A 18 6.528 -8.348 -0.970 1.00 42.33 C ATOM 304 C ILE A 18 6.479 -8.629 0.545 1.00 35.32 C ATOM 305 O ILE A 18 7.278 -8.068 1.297 1.00 13.40 O ATOM 306 CB ILE A 18 5.414 -7.302 -1.392 1.00 52.11 C ATOM 307 CG1 ILE A 18 5.637 -6.827 -2.873 1.00 64.21 C ATOM 308 CG2 ILE A 18 5.351 -6.094 -0.425 1.00 60.34 C ATOM 309 CD1 ILE A 18 4.536 -5.947 -3.445 1.00 23.54 C ATOM 0 H ILE A 18 5.587 -9.619 -2.355 1.00 55.41 H new ATOM 0 HA ILE A 18 7.496 -7.908 -1.208 1.00 42.33 H new ATOM 0 HB ILE A 18 4.451 -7.808 -1.330 1.00 52.11 H new ATOM 0 HG12 ILE A 18 6.579 -6.282 -2.924 1.00 64.21 H new ATOM 0 HG13 ILE A 18 5.743 -7.707 -3.508 1.00 64.21 H new ATOM 0 HG21 ILE A 18 4.574 -5.404 -0.754 1.00 60.34 H new ATOM 0 HG22 ILE A 18 5.122 -6.445 0.581 1.00 60.34 H new ATOM 0 HG23 ILE A 18 6.313 -5.581 -0.420 1.00 60.34 H new ATOM 0 HD11 ILE A 18 4.785 -5.673 -4.470 1.00 23.54 H new ATOM 0 HD12 ILE A 18 3.592 -6.492 -3.434 1.00 23.54 H new ATOM 0 HD13 ILE A 18 4.441 -5.044 -2.841 1.00 23.54 H new ATOM 321 N LYS A 19 5.573 -9.556 0.966 1.00 3.21 N ATOM 322 CA LYS A 19 5.452 -9.975 2.385 1.00 61.32 C ATOM 323 C LYS A 19 6.804 -10.445 2.960 1.00 25.10 C ATOM 324 O LYS A 19 7.150 -10.080 4.072 1.00 21.33 O ATOM 325 CB LYS A 19 4.390 -11.097 2.570 1.00 54.21 C ATOM 326 CG LYS A 19 2.936 -10.619 2.428 1.00 70.40 C ATOM 327 CD LYS A 19 1.910 -11.738 2.712 1.00 31.21 C ATOM 328 CE LYS A 19 0.464 -11.228 2.650 1.00 4.52 C ATOM 329 NZ LYS A 19 -0.516 -12.284 3.025 1.00 51.43 N ATOM 0 H LYS A 19 4.918 -10.025 0.340 1.00 3.21 H new ATOM 0 HA LYS A 19 5.125 -9.093 2.936 1.00 61.32 H new ATOM 0 HB2 LYS A 19 4.576 -11.882 1.837 1.00 54.21 H new ATOM 0 HB3 LYS A 19 4.519 -11.545 3.556 1.00 54.21 H new ATOM 0 HG2 LYS A 19 2.762 -9.790 3.114 1.00 70.40 H new ATOM 0 HG3 LYS A 19 2.780 -10.237 1.419 1.00 70.40 H new ATOM 0 HD2 LYS A 19 2.041 -12.542 1.987 1.00 31.21 H new ATOM 0 HD3 LYS A 19 2.102 -12.163 3.697 1.00 31.21 H new ATOM 0 HE2 LYS A 19 0.351 -10.375 3.319 1.00 4.52 H new ATOM 0 HE3 LYS A 19 0.247 -10.874 1.642 1.00 4.52 H new ATOM 0 HZ1 LYS A 19 -1.262 -11.870 3.620 1.00 51.43 H new ATOM 0 HZ2 LYS A 19 -0.942 -12.684 2.165 1.00 51.43 H new ATOM 0 HZ3 LYS A 19 -0.030 -13.037 3.553 1.00 51.43 H new ATOM 343 N LYS A 20 7.565 -11.216 2.164 1.00 33.10 N ATOM 344 CA LYS A 20 8.855 -11.805 2.593 1.00 3.40 C ATOM 345 C LYS A 20 10.003 -10.768 2.559 1.00 52.24 C ATOM 346 O LYS A 20 10.846 -10.745 3.473 1.00 1.45 O ATOM 347 CB LYS A 20 9.175 -13.052 1.722 1.00 70.53 C ATOM 348 CG LYS A 20 8.175 -14.216 1.925 1.00 10.21 C ATOM 349 CD LYS A 20 8.194 -14.760 3.373 1.00 54.40 C ATOM 350 CE LYS A 20 7.064 -15.754 3.677 1.00 15.21 C ATOM 351 NZ LYS A 20 7.175 -16.255 5.074 1.00 62.30 N ATOM 0 H LYS A 20 7.308 -11.451 1.205 1.00 33.10 H new ATOM 0 HA LYS A 20 8.763 -12.121 3.632 1.00 3.40 H new ATOM 0 HB2 LYS A 20 9.175 -12.762 0.671 1.00 70.53 H new ATOM 0 HB3 LYS A 20 10.181 -13.401 1.956 1.00 70.53 H new ATOM 0 HG2 LYS A 20 7.169 -13.875 1.681 1.00 10.21 H new ATOM 0 HG3 LYS A 20 8.415 -15.023 1.233 1.00 10.21 H new ATOM 0 HD2 LYS A 20 9.152 -15.247 3.556 1.00 54.40 H new ATOM 0 HD3 LYS A 20 8.125 -13.922 4.067 1.00 54.40 H new ATOM 0 HE2 LYS A 20 6.098 -15.271 3.533 1.00 15.21 H new ATOM 0 HE3 LYS A 20 7.109 -16.590 2.979 1.00 15.21 H new ATOM 0 HZ1 LYS A 20 6.385 -16.900 5.275 1.00 62.30 H new ATOM 0 HZ2 LYS A 20 8.075 -16.763 5.190 1.00 62.30 H new ATOM 0 HZ3 LYS A 20 7.143 -15.452 5.734 1.00 62.30 H new ATOM 365 N GLU A 21 10.036 -9.944 1.489 1.00 41.54 N ATOM 366 CA GLU A 21 10.955 -8.777 1.368 1.00 51.04 C ATOM 367 C GLU A 21 10.916 -7.898 2.646 1.00 34.52 C ATOM 368 O GLU A 21 11.958 -7.525 3.198 1.00 11.21 O ATOM 369 CB GLU A 21 10.587 -7.902 0.128 1.00 64.35 C ATOM 370 CG GLU A 21 10.698 -8.602 -1.247 1.00 53.12 C ATOM 371 CD GLU A 21 12.130 -9.019 -1.634 1.00 2.41 C ATOM 372 OE1 GLU A 21 12.891 -8.176 -2.169 1.00 12.10 O ATOM 373 OE2 GLU A 21 12.506 -10.194 -1.408 1.00 64.44 O ATOM 0 H GLU A 21 9.427 -10.065 0.680 1.00 41.54 H new ATOM 0 HA GLU A 21 11.963 -9.172 1.241 1.00 51.04 H new ATOM 0 HB2 GLU A 21 9.565 -7.543 0.251 1.00 64.35 H new ATOM 0 HB3 GLU A 21 11.234 -7.025 0.121 1.00 64.35 H new ATOM 0 HG2 GLU A 21 10.063 -9.488 -1.243 1.00 53.12 H new ATOM 0 HG3 GLU A 21 10.307 -7.934 -2.014 1.00 53.12 H new ATOM 380 N VAL A 22 9.693 -7.625 3.120 1.00 12.30 N ATOM 381 CA VAL A 22 9.446 -6.700 4.239 1.00 5.32 C ATOM 382 C VAL A 22 9.356 -7.439 5.596 1.00 13.34 C ATOM 383 O VAL A 22 9.410 -6.802 6.650 1.00 54.05 O ATOM 384 CB VAL A 22 8.147 -5.866 3.966 1.00 22.40 C ATOM 385 CG1 VAL A 22 8.195 -5.251 2.545 1.00 11.44 C ATOM 386 CG2 VAL A 22 6.867 -6.703 4.181 1.00 52.22 C ATOM 0 H VAL A 22 8.843 -8.040 2.738 1.00 12.30 H new ATOM 0 HA VAL A 22 10.296 -6.022 4.307 1.00 5.32 H new ATOM 0 HB VAL A 22 8.110 -5.053 4.691 1.00 22.40 H new ATOM 0 HG11 VAL A 22 7.287 -4.674 2.367 1.00 11.44 H new ATOM 0 HG12 VAL A 22 9.063 -4.597 2.461 1.00 11.44 H new ATOM 0 HG13 VAL A 22 8.269 -6.049 1.806 1.00 11.44 H new ATOM 0 HG21 VAL A 22 5.991 -6.086 3.981 1.00 52.22 H new ATOM 0 HG22 VAL A 22 6.872 -7.556 3.503 1.00 52.22 H new ATOM 0 HG23 VAL A 22 6.833 -7.058 5.211 1.00 52.22 H new ATOM 396 N GLU A 23 9.213 -8.782 5.548 1.00 62.04 N ATOM 397 CA GLU A 23 9.178 -9.654 6.756 1.00 65.51 C ATOM 398 C GLU A 23 10.519 -9.577 7.496 1.00 73.53 C ATOM 399 O GLU A 23 10.564 -9.456 8.723 1.00 61.12 O ATOM 400 CB GLU A 23 8.861 -11.126 6.354 1.00 2.23 C ATOM 401 CG GLU A 23 8.789 -12.139 7.505 1.00 23.30 C ATOM 402 CD GLU A 23 8.410 -13.549 7.023 1.00 11.32 C ATOM 403 OE1 GLU A 23 9.306 -14.296 6.583 1.00 0.40 O ATOM 404 OE2 GLU A 23 7.215 -13.913 7.060 1.00 12.20 O ATOM 0 H GLU A 23 9.118 -9.298 4.673 1.00 62.04 H new ATOM 0 HA GLU A 23 8.389 -9.303 7.421 1.00 65.51 H new ATOM 0 HB2 GLU A 23 7.908 -11.140 5.825 1.00 2.23 H new ATOM 0 HB3 GLU A 23 9.622 -11.461 5.649 1.00 2.23 H new ATOM 0 HG2 GLU A 23 9.753 -12.178 8.011 1.00 23.30 H new ATOM 0 HG3 GLU A 23 8.057 -11.800 8.238 1.00 23.30 H new ATOM 411 N ASN A 24 11.605 -9.599 6.707 1.00 64.25 N ATOM 412 CA ASN A 24 12.988 -9.459 7.212 1.00 10.21 C ATOM 413 C ASN A 24 13.229 -8.048 7.783 1.00 55.20 C ATOM 414 O ASN A 24 14.130 -7.852 8.592 1.00 12.41 O ATOM 415 CB ASN A 24 14.017 -9.756 6.083 1.00 12.32 C ATOM 416 CG ASN A 24 13.957 -11.197 5.543 1.00 51.13 C ATOM 417 OD1 ASN A 24 12.900 -11.829 5.509 1.00 1.24 O ATOM 418 ND2 ASN A 24 15.099 -11.727 5.116 1.00 30.44 N ATOM 0 H ASN A 24 11.552 -9.715 5.695 1.00 64.25 H new ATOM 0 HA ASN A 24 13.123 -10.185 8.014 1.00 10.21 H new ATOM 0 HB2 ASN A 24 13.847 -9.063 5.259 1.00 12.32 H new ATOM 0 HB3 ASN A 24 15.021 -9.562 6.460 1.00 12.32 H new ATOM 0 HD21 ASN A 24 15.114 -12.679 4.749 1.00 30.44 H new ATOM 0 HD22 ASN A 24 15.960 -11.182 5.155 1.00 30.44 H new ATOM 425 N GLN A 25 12.399 -7.074 7.348 1.00 41.52 N ATOM 426 CA GLN A 25 12.490 -5.660 7.781 1.00 21.52 C ATOM 427 C GLN A 25 11.440 -5.323 8.854 1.00 50.42 C ATOM 428 O GLN A 25 11.261 -4.154 9.207 1.00 15.11 O ATOM 429 CB GLN A 25 12.365 -4.736 6.539 1.00 21.24 C ATOM 430 CG GLN A 25 13.453 -5.014 5.487 1.00 1.52 C ATOM 431 CD GLN A 25 14.870 -4.826 6.042 1.00 73.20 C ATOM 432 OE1 GLN A 25 15.143 -3.882 6.781 1.00 61.01 O ATOM 433 NE2 GLN A 25 15.741 -5.786 5.796 1.00 43.13 N ATOM 0 H GLN A 25 11.644 -7.246 6.684 1.00 41.52 H new ATOM 0 HA GLN A 25 13.462 -5.495 8.246 1.00 21.52 H new ATOM 0 HB2 GLN A 25 11.383 -4.872 6.086 1.00 21.24 H new ATOM 0 HB3 GLN A 25 12.428 -3.695 6.856 1.00 21.24 H new ATOM 0 HG2 GLN A 25 13.344 -6.033 5.117 1.00 1.52 H new ATOM 0 HG3 GLN A 25 13.309 -4.349 4.636 1.00 1.52 H new ATOM 0 HE21 GLN A 25 15.488 -6.558 5.179 1.00 43.13 H new ATOM 0 HE22 GLN A 25 16.667 -5.756 6.223 1.00 43.13 H new ATOM 442 N GLY A 26 10.773 -6.368 9.373 1.00 61.53 N ATOM 443 CA GLY A 26 9.878 -6.253 10.528 1.00 3.02 C ATOM 444 C GLY A 26 8.548 -5.536 10.277 1.00 2.03 C ATOM 445 O GLY A 26 7.934 -5.031 11.221 1.00 54.32 O ATOM 0 H GLY A 26 10.842 -7.315 9.000 1.00 61.53 H new ATOM 0 HA2 GLY A 26 9.664 -7.256 10.898 1.00 3.02 H new ATOM 0 HA3 GLY A 26 10.408 -5.727 11.322 1.00 3.02 H new ATOM 449 N TYR A 27 8.081 -5.498 9.020 1.00 22.13 N ATOM 450 CA TYR A 27 6.787 -4.866 8.672 1.00 12.34 C ATOM 451 C TYR A 27 5.670 -5.907 8.781 1.00 10.33 C ATOM 452 O TYR A 27 5.605 -6.836 7.967 1.00 60.25 O ATOM 453 CB TYR A 27 6.822 -4.246 7.246 1.00 41.10 C ATOM 454 CG TYR A 27 7.609 -2.938 7.159 1.00 50.11 C ATOM 455 CD1 TYR A 27 9.001 -2.941 7.140 1.00 42.44 C ATOM 456 CD2 TYR A 27 6.956 -1.702 7.111 1.00 22.23 C ATOM 457 CE1 TYR A 27 9.718 -1.765 7.077 1.00 31.15 C ATOM 458 CE2 TYR A 27 7.671 -0.521 7.047 1.00 74.54 C ATOM 459 CZ TYR A 27 9.050 -0.560 7.030 1.00 51.21 C ATOM 460 OH TYR A 27 9.770 0.610 6.965 1.00 21.40 O ATOM 0 H TYR A 27 8.577 -5.896 8.222 1.00 22.13 H new ATOM 0 HA TYR A 27 6.596 -4.053 9.373 1.00 12.34 H new ATOM 0 HB2 TYR A 27 7.259 -4.968 6.557 1.00 41.10 H new ATOM 0 HB3 TYR A 27 5.800 -4.066 6.913 1.00 41.10 H new ATOM 0 HD1 TYR A 27 9.529 -3.882 7.175 1.00 42.44 H new ATOM 0 HD2 TYR A 27 5.877 -1.670 7.124 1.00 22.23 H new ATOM 0 HE1 TYR A 27 10.798 -1.788 7.065 1.00 31.15 H new ATOM 0 HE2 TYR A 27 7.154 0.426 7.011 1.00 74.54 H new ATOM 0 HH TYR A 27 10.617 0.448 6.499 1.00 21.40 H new ATOM 470 N GLN A 28 4.814 -5.756 9.809 1.00 61.22 N ATOM 471 CA GLN A 28 3.667 -6.645 10.037 1.00 70.33 C ATOM 472 C GLN A 28 2.620 -6.411 8.933 1.00 5.54 C ATOM 473 O GLN A 28 1.938 -5.378 8.922 1.00 34.13 O ATOM 474 CB GLN A 28 3.047 -6.389 11.437 1.00 35.45 C ATOM 475 CG GLN A 28 4.039 -6.486 12.611 1.00 23.34 C ATOM 476 CD GLN A 28 3.373 -6.273 13.976 1.00 64.25 C ATOM 477 OE1 GLN A 28 3.264 -5.145 14.463 1.00 31.21 O ATOM 478 NE2 GLN A 28 2.937 -7.355 14.608 1.00 20.43 N ATOM 0 H GLN A 28 4.901 -5.013 10.503 1.00 61.22 H new ATOM 0 HA GLN A 28 4.003 -7.681 10.004 1.00 70.33 H new ATOM 0 HB2 GLN A 28 2.595 -5.397 11.443 1.00 35.45 H new ATOM 0 HB3 GLN A 28 2.243 -7.107 11.599 1.00 35.45 H new ATOM 0 HG2 GLN A 28 4.518 -7.465 12.595 1.00 23.34 H new ATOM 0 HG3 GLN A 28 4.826 -5.744 12.477 1.00 23.34 H new ATOM 0 HE21 GLN A 28 3.042 -8.274 14.178 1.00 20.43 H new ATOM 0 HE22 GLN A 28 2.497 -7.268 15.524 1.00 20.43 H new ATOM 487 N VAL A 29 2.538 -7.353 7.981 1.00 70.22 N ATOM 488 CA VAL A 29 1.674 -7.219 6.803 1.00 50.15 C ATOM 489 C VAL A 29 0.230 -7.618 7.136 1.00 2.20 C ATOM 490 O VAL A 29 -0.017 -8.661 7.754 1.00 43.01 O ATOM 491 CB VAL A 29 2.183 -8.073 5.586 1.00 70.22 C ATOM 492 CG1 VAL A 29 1.335 -7.798 4.318 1.00 13.52 C ATOM 493 CG2 VAL A 29 3.679 -7.812 5.324 1.00 70.21 C ATOM 0 H VAL A 29 3.067 -8.225 8.008 1.00 70.22 H new ATOM 0 HA VAL A 29 1.707 -6.168 6.515 1.00 50.15 H new ATOM 0 HB VAL A 29 2.065 -9.127 5.839 1.00 70.22 H new ATOM 0 HG11 VAL A 29 1.710 -8.402 3.492 1.00 13.52 H new ATOM 0 HG12 VAL A 29 0.294 -8.056 4.513 1.00 13.52 H new ATOM 0 HG13 VAL A 29 1.404 -6.742 4.056 1.00 13.52 H new ATOM 0 HG21 VAL A 29 4.010 -8.413 4.477 1.00 70.21 H new ATOM 0 HG22 VAL A 29 3.830 -6.756 5.100 1.00 70.21 H new ATOM 0 HG23 VAL A 29 4.256 -8.082 6.209 1.00 70.21 H new ATOM 503 N ARG A 30 -0.708 -6.763 6.713 1.00 14.14 N ATOM 504 CA ARG A 30 -2.148 -6.981 6.817 1.00 51.23 C ATOM 505 C ARG A 30 -2.750 -6.809 5.418 1.00 73.31 C ATOM 506 O ARG A 30 -2.745 -5.712 4.861 1.00 11.02 O ATOM 507 CB ARG A 30 -2.778 -5.986 7.837 1.00 73.42 C ATOM 508 CG ARG A 30 -2.330 -6.200 9.306 1.00 43.52 C ATOM 509 CD ARG A 30 -2.582 -7.645 9.776 1.00 75.14 C ATOM 510 NE ARG A 30 -2.327 -7.860 11.204 1.00 2.42 N ATOM 511 CZ ARG A 30 -3.258 -8.186 12.112 1.00 74.52 C ATOM 512 NH1 ARG A 30 -4.542 -8.326 11.764 1.00 13.42 N ATOM 513 NH2 ARG A 30 -2.894 -8.418 13.362 1.00 14.13 N ATOM 0 H ARG A 30 -0.474 -5.872 6.275 1.00 14.14 H new ATOM 0 HA ARG A 30 -2.359 -7.985 7.184 1.00 51.23 H new ATOM 0 HB2 ARG A 30 -2.524 -4.969 7.538 1.00 73.42 H new ATOM 0 HB3 ARG A 30 -3.863 -6.072 7.786 1.00 73.42 H new ATOM 0 HG2 ARG A 30 -1.269 -5.967 9.400 1.00 43.52 H new ATOM 0 HG3 ARG A 30 -2.867 -5.508 9.954 1.00 43.52 H new ATOM 0 HD2 ARG A 30 -3.616 -7.912 9.558 1.00 75.14 H new ATOM 0 HD3 ARG A 30 -1.950 -8.320 9.199 1.00 75.14 H new ATOM 0 HE ARG A 30 -1.367 -7.753 11.532 1.00 2.42 H new ATOM 0 HH11 ARG A 30 -4.826 -8.184 10.795 1.00 13.42 H new ATOM 0 HH12 ARG A 30 -5.237 -8.574 12.468 1.00 13.42 H new ATOM 0 HH21 ARG A 30 -1.912 -8.348 13.628 1.00 14.13 H new ATOM 0 HH22 ARG A 30 -3.595 -8.667 14.060 1.00 14.13 H new ATOM 527 N ASP A 31 -3.237 -7.913 4.851 1.00 21.23 N ATOM 528 CA ASP A 31 -3.768 -7.957 3.478 1.00 63.43 C ATOM 529 C ASP A 31 -5.298 -8.130 3.530 1.00 24.34 C ATOM 530 O ASP A 31 -5.818 -8.956 4.292 1.00 4.13 O ATOM 531 CB ASP A 31 -3.073 -9.084 2.667 1.00 32.32 C ATOM 532 CG ASP A 31 -3.356 -10.501 3.187 1.00 2.14 C ATOM 533 OD1 ASP A 31 -2.820 -10.871 4.255 1.00 51.14 O ATOM 534 OD2 ASP A 31 -4.091 -11.260 2.522 1.00 71.15 O ATOM 0 H ASP A 31 -3.277 -8.812 5.331 1.00 21.23 H new ATOM 0 HA ASP A 31 -3.554 -7.020 2.964 1.00 63.43 H new ATOM 0 HB2 ASP A 31 -3.395 -9.020 1.628 1.00 32.32 H new ATOM 0 HB3 ASP A 31 -1.997 -8.913 2.678 1.00 32.32 H new ATOM 539 N VAL A 32 -6.009 -7.336 2.718 1.00 42.14 N ATOM 540 CA VAL A 32 -7.475 -7.194 2.775 1.00 4.11 C ATOM 541 C VAL A 32 -8.058 -7.303 1.357 1.00 53.14 C ATOM 542 O VAL A 32 -7.607 -6.602 0.448 1.00 31.24 O ATOM 543 CB VAL A 32 -7.883 -5.803 3.406 1.00 32.01 C ATOM 544 CG1 VAL A 32 -9.401 -5.559 3.307 1.00 34.02 C ATOM 545 CG2 VAL A 32 -7.390 -5.663 4.872 1.00 22.10 C ATOM 0 H VAL A 32 -5.578 -6.765 1.991 1.00 42.14 H new ATOM 0 HA VAL A 32 -7.874 -7.990 3.403 1.00 4.11 H new ATOM 0 HB VAL A 32 -7.383 -5.032 2.819 1.00 32.01 H new ATOM 0 HG11 VAL A 32 -9.644 -4.594 3.751 1.00 34.02 H new ATOM 0 HG12 VAL A 32 -9.703 -5.563 2.260 1.00 34.02 H new ATOM 0 HG13 VAL A 32 -9.932 -6.347 3.841 1.00 34.02 H new ATOM 0 HG21 VAL A 32 -7.692 -4.693 5.266 1.00 22.10 H new ATOM 0 HG22 VAL A 32 -7.828 -6.454 5.480 1.00 22.10 H new ATOM 0 HG23 VAL A 32 -6.303 -5.744 4.900 1.00 22.10 H new ATOM 555 N ASN A 33 -9.062 -8.184 1.188 1.00 5.32 N ATOM 556 CA ASN A 33 -9.784 -8.378 -0.092 1.00 50.33 C ATOM 557 C ASN A 33 -11.312 -8.445 0.152 1.00 75.30 C ATOM 558 O ASN A 33 -12.073 -8.901 -0.713 1.00 4.02 O ATOM 559 CB ASN A 33 -9.264 -9.655 -0.818 1.00 53.00 C ATOM 560 CG ASN A 33 -7.801 -9.556 -1.274 1.00 64.42 C ATOM 561 OD1 ASN A 33 -7.304 -8.478 -1.616 1.00 21.42 O ATOM 562 ND2 ASN A 33 -7.091 -10.675 -1.275 1.00 54.50 N ATOM 0 H ASN A 33 -9.400 -8.787 1.938 1.00 5.32 H new ATOM 0 HA ASN A 33 -9.590 -7.523 -0.740 1.00 50.33 H new ATOM 0 HB2 ASN A 33 -9.370 -10.510 -0.150 1.00 53.00 H new ATOM 0 HB3 ASN A 33 -9.893 -9.850 -1.687 1.00 53.00 H new ATOM 0 HD21 ASN A 33 -6.112 -10.658 -1.562 1.00 54.50 H new ATOM 0 HD22 ASN A 33 -7.523 -11.553 -0.988 1.00 54.50 H new ATOM 569 N ASP A 34 -11.757 -7.931 1.323 1.00 35.21 N ATOM 570 CA ASP A 34 -13.191 -7.854 1.696 1.00 33.23 C ATOM 571 C ASP A 34 -13.454 -6.581 2.531 1.00 53.02 C ATOM 572 O ASP A 34 -12.593 -6.157 3.302 1.00 5.41 O ATOM 573 CB ASP A 34 -13.595 -9.122 2.489 1.00 45.15 C ATOM 574 CG ASP A 34 -15.073 -9.128 2.923 1.00 25.32 C ATOM 575 OD1 ASP A 34 -15.938 -9.521 2.109 1.00 32.13 O ATOM 576 OD2 ASP A 34 -15.373 -8.729 4.071 1.00 4.04 O ATOM 0 H ASP A 34 -11.132 -7.557 2.037 1.00 35.21 H new ATOM 0 HA ASP A 34 -13.796 -7.802 0.791 1.00 33.23 H new ATOM 0 HB2 ASP A 34 -13.401 -10.002 1.876 1.00 45.15 H new ATOM 0 HB3 ASP A 34 -12.964 -9.204 3.374 1.00 45.15 H new ATOM 581 N SER A 35 -14.656 -5.994 2.361 1.00 5.15 N ATOM 582 CA SER A 35 -15.070 -4.735 3.019 1.00 43.23 C ATOM 583 C SER A 35 -15.110 -4.832 4.563 1.00 54.25 C ATOM 584 O SER A 35 -14.644 -3.917 5.255 1.00 11.13 O ATOM 585 CB SER A 35 -16.446 -4.302 2.458 1.00 71.51 C ATOM 586 OG SER A 35 -17.430 -5.319 2.643 1.00 34.14 O ATOM 0 H SER A 35 -15.377 -6.385 1.755 1.00 5.15 H new ATOM 0 HA SER A 35 -14.315 -3.982 2.793 1.00 43.23 H new ATOM 0 HB2 SER A 35 -16.770 -3.386 2.953 1.00 71.51 H new ATOM 0 HB3 SER A 35 -16.352 -4.074 1.396 1.00 71.51 H new ATOM 0 HG SER A 35 -18.288 -5.014 2.280 1.00 34.14 H new ATOM 592 N ASP A 36 -15.665 -5.933 5.100 1.00 62.44 N ATOM 593 CA ASP A 36 -15.749 -6.136 6.565 1.00 51.52 C ATOM 594 C ASP A 36 -14.356 -6.368 7.167 1.00 21.32 C ATOM 595 O ASP A 36 -14.093 -5.942 8.288 1.00 23.02 O ATOM 596 CB ASP A 36 -16.715 -7.295 6.937 1.00 21.43 C ATOM 597 CG ASP A 36 -18.199 -6.930 6.740 1.00 4.44 C ATOM 598 OD1 ASP A 36 -18.689 -5.993 7.419 1.00 4.11 O ATOM 599 OD2 ASP A 36 -18.883 -7.570 5.910 1.00 22.34 O ATOM 0 H ASP A 36 -16.061 -6.694 4.549 1.00 62.44 H new ATOM 0 HA ASP A 36 -16.161 -5.223 6.995 1.00 51.52 H new ATOM 0 HB2 ASP A 36 -16.478 -8.168 6.329 1.00 21.43 H new ATOM 0 HB3 ASP A 36 -16.551 -7.577 7.977 1.00 21.43 H new ATOM 604 N GLU A 37 -13.465 -7.011 6.395 1.00 23.13 N ATOM 605 CA GLU A 37 -12.058 -7.217 6.802 1.00 71.11 C ATOM 606 C GLU A 37 -11.299 -5.880 6.850 1.00 42.02 C ATOM 607 O GLU A 37 -10.455 -5.671 7.718 1.00 53.44 O ATOM 608 CB GLU A 37 -11.358 -8.200 5.844 1.00 30.22 C ATOM 609 CG GLU A 37 -11.973 -9.611 5.843 1.00 65.14 C ATOM 610 CD GLU A 37 -11.873 -10.347 7.196 1.00 74.02 C ATOM 611 OE1 GLU A 37 -10.843 -11.017 7.441 1.00 4.13 O ATOM 612 OE2 GLU A 37 -12.824 -10.266 8.007 1.00 5.03 O ATOM 0 H GLU A 37 -13.692 -7.400 5.480 1.00 23.13 H new ATOM 0 HA GLU A 37 -12.054 -7.646 7.804 1.00 71.11 H new ATOM 0 HB2 GLU A 37 -11.397 -7.796 4.832 1.00 30.22 H new ATOM 0 HB3 GLU A 37 -10.306 -8.273 6.118 1.00 30.22 H new ATOM 0 HG2 GLU A 37 -13.023 -9.537 5.559 1.00 65.14 H new ATOM 0 HG3 GLU A 37 -11.478 -10.210 5.079 1.00 65.14 H new ATOM 619 N LEU A 38 -11.629 -4.988 5.903 1.00 63.23 N ATOM 620 CA LEU A 38 -11.118 -3.602 5.861 1.00 42.43 C ATOM 621 C LEU A 38 -11.494 -2.849 7.142 1.00 53.21 C ATOM 622 O LEU A 38 -10.670 -2.143 7.728 1.00 21.01 O ATOM 623 CB LEU A 38 -11.668 -2.906 4.574 1.00 71.15 C ATOM 624 CG LEU A 38 -11.623 -1.328 4.486 1.00 3.52 C ATOM 625 CD1 LEU A 38 -11.242 -0.856 3.073 1.00 4.40 C ATOM 626 CD2 LEU A 38 -12.981 -0.693 4.892 1.00 74.13 C ATOM 0 H LEU A 38 -12.264 -5.207 5.136 1.00 63.23 H new ATOM 0 HA LEU A 38 -10.029 -3.600 5.814 1.00 42.43 H new ATOM 0 HB2 LEU A 38 -11.114 -3.300 3.722 1.00 71.15 H new ATOM 0 HB3 LEU A 38 -12.706 -3.215 4.449 1.00 71.15 H new ATOM 0 HG LEU A 38 -10.858 -0.998 5.189 1.00 3.52 H new ATOM 0 HD11 LEU A 38 -11.220 0.233 3.047 1.00 4.40 H new ATOM 0 HD12 LEU A 38 -10.258 -1.245 2.812 1.00 4.40 H new ATOM 0 HD13 LEU A 38 -11.978 -1.221 2.357 1.00 4.40 H new ATOM 0 HD21 LEU A 38 -12.911 0.392 4.819 1.00 74.13 H new ATOM 0 HD22 LEU A 38 -13.765 -1.052 4.225 1.00 74.13 H new ATOM 0 HD23 LEU A 38 -13.221 -0.973 5.918 1.00 74.13 H new ATOM 638 N LYS A 39 -12.746 -3.058 7.575 1.00 35.21 N ATOM 639 CA LYS A 39 -13.285 -2.490 8.816 1.00 71.32 C ATOM 640 C LYS A 39 -12.565 -3.077 10.058 1.00 54.24 C ATOM 641 O LYS A 39 -12.280 -2.339 11.001 1.00 64.03 O ATOM 642 CB LYS A 39 -14.815 -2.755 8.875 1.00 61.21 C ATOM 643 CG LYS A 39 -15.641 -2.022 7.781 1.00 0.12 C ATOM 644 CD LYS A 39 -17.074 -2.606 7.609 1.00 4.30 C ATOM 645 CE LYS A 39 -17.888 -2.619 8.913 1.00 40.41 C ATOM 646 NZ LYS A 39 -19.210 -3.296 8.748 1.00 1.44 N ATOM 0 H LYS A 39 -13.419 -3.632 7.067 1.00 35.21 H new ATOM 0 HA LYS A 39 -13.109 -1.414 8.824 1.00 71.32 H new ATOM 0 HB2 LYS A 39 -14.989 -3.827 8.785 1.00 61.21 H new ATOM 0 HB3 LYS A 39 -15.185 -2.453 9.855 1.00 61.21 H new ATOM 0 HG2 LYS A 39 -15.713 -0.965 8.035 1.00 0.12 H new ATOM 0 HG3 LYS A 39 -15.112 -2.086 6.830 1.00 0.12 H new ATOM 0 HD2 LYS A 39 -17.609 -2.021 6.861 1.00 4.30 H new ATOM 0 HD3 LYS A 39 -17.000 -3.624 7.225 1.00 4.30 H new ATOM 0 HE2 LYS A 39 -17.317 -3.126 9.691 1.00 40.41 H new ATOM 0 HE3 LYS A 39 -18.046 -1.595 9.251 1.00 40.41 H new ATOM 0 HZ1 LYS A 39 -19.657 -3.417 9.679 1.00 1.44 H new ATOM 0 HZ2 LYS A 39 -19.824 -2.715 8.142 1.00 1.44 H new ATOM 0 HZ3 LYS A 39 -19.070 -4.228 8.308 1.00 1.44 H new ATOM 660 N LYS A 40 -12.259 -4.399 10.030 1.00 11.52 N ATOM 661 CA LYS A 40 -11.588 -5.106 11.157 1.00 64.00 C ATOM 662 C LYS A 40 -10.177 -4.541 11.410 1.00 25.01 C ATOM 663 O LYS A 40 -9.828 -4.214 12.547 1.00 20.12 O ATOM 664 CB LYS A 40 -11.486 -6.643 10.898 1.00 43.34 C ATOM 665 CG LYS A 40 -12.831 -7.393 10.767 1.00 73.13 C ATOM 666 CD LYS A 40 -13.774 -7.185 11.970 1.00 12.53 C ATOM 667 CE LYS A 40 -15.088 -7.973 11.833 1.00 2.13 C ATOM 668 NZ LYS A 40 -16.046 -7.630 12.922 1.00 33.22 N ATOM 0 H LYS A 40 -12.467 -5.002 9.234 1.00 11.52 H new ATOM 0 HA LYS A 40 -12.206 -4.940 12.039 1.00 64.00 H new ATOM 0 HB2 LYS A 40 -10.913 -6.801 9.985 1.00 43.34 H new ATOM 0 HB3 LYS A 40 -10.918 -7.093 11.713 1.00 43.34 H new ATOM 0 HG2 LYS A 40 -13.335 -7.062 9.859 1.00 73.13 H new ATOM 0 HG3 LYS A 40 -12.633 -8.459 10.651 1.00 73.13 H new ATOM 0 HD2 LYS A 40 -13.265 -7.491 12.884 1.00 12.53 H new ATOM 0 HD3 LYS A 40 -14.000 -6.123 12.071 1.00 12.53 H new ATOM 0 HE2 LYS A 40 -15.543 -7.759 10.866 1.00 2.13 H new ATOM 0 HE3 LYS A 40 -14.877 -9.042 11.856 1.00 2.13 H new ATOM 0 HZ1 LYS A 40 -16.921 -8.179 12.800 1.00 33.22 H new ATOM 0 HZ2 LYS A 40 -15.620 -7.857 13.843 1.00 33.22 H new ATOM 0 HZ3 LYS A 40 -16.266 -6.614 12.884 1.00 33.22 H new ATOM 682 N GLU A 41 -9.392 -4.417 10.327 1.00 62.44 N ATOM 683 CA GLU A 41 -7.987 -3.963 10.392 1.00 13.33 C ATOM 684 C GLU A 41 -7.917 -2.470 10.749 1.00 14.41 C ATOM 685 O GLU A 41 -7.028 -2.051 11.494 1.00 14.52 O ATOM 686 CB GLU A 41 -7.261 -4.263 9.051 1.00 64.30 C ATOM 687 CG GLU A 41 -7.387 -5.731 8.569 1.00 33.24 C ATOM 688 CD GLU A 41 -6.715 -6.795 9.463 1.00 62.42 C ATOM 689 OE1 GLU A 41 -7.181 -7.047 10.596 1.00 20.33 O ATOM 690 OE2 GLU A 41 -5.738 -7.431 9.015 1.00 43.42 O ATOM 0 H GLU A 41 -9.710 -4.628 9.381 1.00 62.44 H new ATOM 0 HA GLU A 41 -7.475 -4.514 11.181 1.00 13.33 H new ATOM 0 HB2 GLU A 41 -7.661 -3.605 8.280 1.00 64.30 H new ATOM 0 HB3 GLU A 41 -6.204 -4.019 9.161 1.00 64.30 H new ATOM 0 HG2 GLU A 41 -8.446 -5.974 8.481 1.00 33.24 H new ATOM 0 HG3 GLU A 41 -6.960 -5.802 7.569 1.00 33.24 H new ATOM 697 N MET A 42 -8.895 -1.686 10.245 1.00 53.13 N ATOM 698 CA MET A 42 -9.044 -0.252 10.582 1.00 44.14 C ATOM 699 C MET A 42 -9.371 -0.061 12.070 1.00 33.34 C ATOM 700 O MET A 42 -8.913 0.910 12.691 1.00 42.51 O ATOM 701 CB MET A 42 -10.126 0.424 9.683 1.00 51.22 C ATOM 702 CG MET A 42 -9.559 0.965 8.377 1.00 11.24 C ATOM 703 SD MET A 42 -8.334 2.250 8.699 1.00 65.12 S ATOM 704 CE MET A 42 -7.691 2.554 7.067 1.00 52.41 C ATOM 0 H MET A 42 -9.602 -2.028 9.594 1.00 53.13 H new ATOM 0 HA MET A 42 -8.089 0.235 10.386 1.00 44.14 H new ATOM 0 HB2 MET A 42 -10.910 -0.300 9.460 1.00 51.22 H new ATOM 0 HB3 MET A 42 -10.593 1.239 10.236 1.00 51.22 H new ATOM 0 HG2 MET A 42 -9.103 0.154 7.809 1.00 11.24 H new ATOM 0 HG3 MET A 42 -10.365 1.369 7.764 1.00 11.24 H new ATOM 0 HE1 MET A 42 -7.601 3.628 6.906 1.00 52.41 H new ATOM 0 HE2 MET A 42 -6.710 2.089 6.970 1.00 52.41 H new ATOM 0 HE3 MET A 42 -8.368 2.131 6.325 1.00 52.41 H new ATOM 714 N LYS A 43 -10.162 -0.995 12.630 1.00 24.30 N ATOM 715 CA LYS A 43 -10.471 -1.021 14.069 1.00 71.10 C ATOM 716 C LYS A 43 -9.191 -1.217 14.890 1.00 54.23 C ATOM 717 O LYS A 43 -9.022 -0.577 15.908 1.00 12.23 O ATOM 718 CB LYS A 43 -11.520 -2.128 14.409 1.00 52.15 C ATOM 719 CG LYS A 43 -12.981 -1.741 14.099 1.00 3.51 C ATOM 720 CD LYS A 43 -13.474 -0.573 14.980 1.00 43.44 C ATOM 721 CE LYS A 43 -14.919 -0.168 14.680 1.00 32.20 C ATOM 722 NZ LYS A 43 -15.368 0.915 15.593 1.00 55.33 N ATOM 0 H LYS A 43 -10.602 -1.748 12.100 1.00 24.30 H new ATOM 0 HA LYS A 43 -10.910 -0.059 14.333 1.00 71.10 H new ATOM 0 HB2 LYS A 43 -11.270 -3.031 13.852 1.00 52.15 H new ATOM 0 HB3 LYS A 43 -11.439 -2.374 15.468 1.00 52.15 H new ATOM 0 HG2 LYS A 43 -13.066 -1.463 13.049 1.00 3.51 H new ATOM 0 HG3 LYS A 43 -13.625 -2.607 14.253 1.00 3.51 H new ATOM 0 HD2 LYS A 43 -13.392 -0.857 16.029 1.00 43.44 H new ATOM 0 HD3 LYS A 43 -12.822 0.288 14.831 1.00 43.44 H new ATOM 0 HE2 LYS A 43 -15.000 0.166 13.646 1.00 32.20 H new ATOM 0 HE3 LYS A 43 -15.573 -1.033 14.787 1.00 32.20 H new ATOM 0 HZ1 LYS A 43 -16.351 1.172 15.370 1.00 55.33 H new ATOM 0 HZ2 LYS A 43 -15.312 0.585 16.578 1.00 55.33 H new ATOM 0 HZ3 LYS A 43 -14.756 1.747 15.472 1.00 55.33 H new ATOM 736 N LYS A 44 -8.286 -2.085 14.407 1.00 43.32 N ATOM 737 CA LYS A 44 -7.026 -2.407 15.115 1.00 34.21 C ATOM 738 C LYS A 44 -6.056 -1.212 15.085 1.00 65.35 C ATOM 739 O LYS A 44 -5.360 -0.953 16.062 1.00 50.04 O ATOM 740 CB LYS A 44 -6.365 -3.673 14.500 1.00 33.32 C ATOM 741 CG LYS A 44 -7.273 -4.928 14.375 1.00 24.32 C ATOM 742 CD LYS A 44 -7.861 -5.480 15.717 1.00 70.41 C ATOM 743 CE LYS A 44 -9.158 -4.782 16.164 1.00 75.43 C ATOM 744 NZ LYS A 44 -9.691 -5.321 17.445 1.00 74.54 N ATOM 0 H LYS A 44 -8.401 -2.581 13.523 1.00 43.32 H new ATOM 0 HA LYS A 44 -7.264 -2.617 16.158 1.00 34.21 H new ATOM 0 HB2 LYS A 44 -5.994 -3.418 13.507 1.00 33.32 H new ATOM 0 HB3 LYS A 44 -5.498 -3.936 15.106 1.00 33.32 H new ATOM 0 HG2 LYS A 44 -8.102 -4.689 13.708 1.00 24.32 H new ATOM 0 HG3 LYS A 44 -6.699 -5.722 13.898 1.00 24.32 H new ATOM 0 HD2 LYS A 44 -8.054 -6.547 15.606 1.00 70.41 H new ATOM 0 HD3 LYS A 44 -7.113 -5.371 16.502 1.00 70.41 H new ATOM 0 HE2 LYS A 44 -8.971 -3.714 16.274 1.00 75.43 H new ATOM 0 HE3 LYS A 44 -9.913 -4.895 15.386 1.00 75.43 H new ATOM 0 HZ1 LYS A 44 -10.285 -4.601 17.904 1.00 74.54 H new ATOM 0 HZ2 LYS A 44 -10.261 -6.170 17.254 1.00 74.54 H new ATOM 0 HZ3 LYS A 44 -8.900 -5.569 18.073 1.00 74.54 H new ATOM 758 N LEU A 45 -6.047 -0.473 13.955 1.00 1.11 N ATOM 759 CA LEU A 45 -5.242 0.756 13.801 1.00 63.44 C ATOM 760 C LEU A 45 -5.742 1.841 14.790 1.00 45.30 C ATOM 761 O LEU A 45 -4.944 2.559 15.406 1.00 43.45 O ATOM 762 CB LEU A 45 -5.309 1.279 12.329 1.00 33.04 C ATOM 763 CG LEU A 45 -4.864 0.275 11.205 1.00 43.03 C ATOM 764 CD1 LEU A 45 -5.002 0.904 9.797 1.00 50.52 C ATOM 765 CD2 LEU A 45 -3.434 -0.270 11.439 1.00 2.02 C ATOM 0 H LEU A 45 -6.595 -0.711 13.128 1.00 1.11 H new ATOM 0 HA LEU A 45 -4.201 0.525 14.029 1.00 63.44 H new ATOM 0 HB2 LEU A 45 -6.334 1.588 12.124 1.00 33.04 H new ATOM 0 HB3 LEU A 45 -4.686 2.171 12.255 1.00 33.04 H new ATOM 0 HG LEU A 45 -5.542 -0.577 11.258 1.00 43.03 H new ATOM 0 HD11 LEU A 45 -4.686 0.183 9.044 1.00 50.52 H new ATOM 0 HD12 LEU A 45 -6.042 1.179 9.622 1.00 50.52 H new ATOM 0 HD13 LEU A 45 -4.375 1.794 9.733 1.00 50.52 H new ATOM 0 HD21 LEU A 45 -3.172 -0.959 10.637 1.00 2.02 H new ATOM 0 HD22 LEU A 45 -2.726 0.559 11.451 1.00 2.02 H new ATOM 0 HD23 LEU A 45 -3.396 -0.794 12.394 1.00 2.02 H new ATOM 777 N ALA A 46 -7.077 1.911 14.942 1.00 32.42 N ATOM 778 CA ALA A 46 -7.761 2.909 15.787 1.00 5.04 C ATOM 779 C ALA A 46 -7.632 2.586 17.299 1.00 23.50 C ATOM 780 O ALA A 46 -7.367 3.474 18.111 1.00 43.11 O ATOM 781 CB ALA A 46 -9.246 2.998 15.382 1.00 45.33 C ATOM 0 H ALA A 46 -7.719 1.269 14.477 1.00 32.42 H new ATOM 0 HA ALA A 46 -7.276 3.872 15.625 1.00 5.04 H new ATOM 0 HB1 ALA A 46 -9.750 3.735 16.007 1.00 45.33 H new ATOM 0 HB2 ALA A 46 -9.321 3.297 14.336 1.00 45.33 H new ATOM 0 HB3 ALA A 46 -9.719 2.025 15.516 1.00 45.33 H new ATOM 787 N GLU A 47 -7.818 1.300 17.646 1.00 50.12 N ATOM 788 CA GLU A 47 -7.842 0.801 19.049 1.00 14.44 C ATOM 789 C GLU A 47 -6.429 0.655 19.620 1.00 33.34 C ATOM 790 O GLU A 47 -6.214 0.771 20.833 1.00 14.40 O ATOM 791 CB GLU A 47 -8.576 -0.571 19.105 1.00 42.42 C ATOM 792 CG GLU A 47 -10.100 -0.502 18.860 1.00 61.34 C ATOM 793 CD GLU A 47 -10.754 -1.893 18.830 1.00 20.40 C ATOM 794 OE1 GLU A 47 -11.042 -2.450 19.914 1.00 44.41 O ATOM 795 OE2 GLU A 47 -10.968 -2.442 17.731 1.00 52.32 O ATOM 0 H GLU A 47 -7.959 0.561 16.957 1.00 50.12 H new ATOM 0 HA GLU A 47 -8.375 1.532 19.657 1.00 14.44 H new ATOM 0 HB2 GLU A 47 -8.133 -1.235 18.363 1.00 42.42 H new ATOM 0 HB3 GLU A 47 -8.399 -1.022 20.082 1.00 42.42 H new ATOM 0 HG2 GLU A 47 -10.564 0.097 19.643 1.00 61.34 H new ATOM 0 HG3 GLU A 47 -10.290 0.006 17.915 1.00 61.34 H new ATOM 802 N GLU A 48 -5.480 0.408 18.724 1.00 63.33 N ATOM 803 CA GLU A 48 -4.084 0.158 19.071 1.00 30.42 C ATOM 804 C GLU A 48 -3.221 1.154 18.293 1.00 14.12 C ATOM 805 O GLU A 48 -2.405 0.778 17.453 1.00 3.34 O ATOM 806 CB GLU A 48 -3.741 -1.323 18.739 1.00 13.34 C ATOM 807 CG GLU A 48 -2.364 -1.810 19.226 1.00 3.31 C ATOM 808 CD GLU A 48 -2.108 -3.273 18.844 1.00 60.14 C ATOM 809 OE1 GLU A 48 -1.675 -3.531 17.698 1.00 40.42 O ATOM 810 OE2 GLU A 48 -2.361 -4.172 19.677 1.00 10.22 O ATOM 0 H GLU A 48 -5.661 0.375 17.721 1.00 63.33 H new ATOM 0 HA GLU A 48 -3.894 0.302 20.135 1.00 30.42 H new ATOM 0 HB2 GLU A 48 -4.508 -1.962 19.176 1.00 13.34 H new ATOM 0 HB3 GLU A 48 -3.793 -1.456 17.658 1.00 13.34 H new ATOM 0 HG2 GLU A 48 -1.584 -1.181 18.797 1.00 3.31 H new ATOM 0 HG3 GLU A 48 -2.302 -1.701 20.309 1.00 3.31 H new ATOM 817 N LYS A 49 -3.459 2.449 18.546 1.00 34.03 N ATOM 818 CA LYS A 49 -2.703 3.534 17.911 1.00 33.45 C ATOM 819 C LYS A 49 -1.373 3.744 18.663 1.00 22.24 C ATOM 820 O LYS A 49 -1.213 4.679 19.457 1.00 1.15 O ATOM 821 CB LYS A 49 -3.544 4.841 17.871 1.00 64.40 C ATOM 822 CG LYS A 49 -2.901 6.002 17.064 1.00 63.23 C ATOM 823 CD LYS A 49 -3.592 7.364 17.312 1.00 20.04 C ATOM 824 CE LYS A 49 -5.089 7.353 16.974 1.00 74.01 C ATOM 825 NZ LYS A 49 -5.334 7.076 15.533 1.00 52.35 N ATOM 0 H LYS A 49 -4.178 2.771 19.194 1.00 34.03 H new ATOM 0 HA LYS A 49 -2.480 3.261 16.880 1.00 33.45 H new ATOM 0 HB2 LYS A 49 -4.520 4.616 17.442 1.00 64.40 H new ATOM 0 HB3 LYS A 49 -3.715 5.178 18.893 1.00 64.40 H new ATOM 0 HG2 LYS A 49 -1.847 6.082 17.329 1.00 63.23 H new ATOM 0 HG3 LYS A 49 -2.945 5.766 16.001 1.00 63.23 H new ATOM 0 HD2 LYS A 49 -3.464 7.644 18.358 1.00 20.04 H new ATOM 0 HD3 LYS A 49 -3.097 8.129 16.714 1.00 20.04 H new ATOM 0 HE2 LYS A 49 -5.591 6.598 17.579 1.00 74.01 H new ATOM 0 HE3 LYS A 49 -5.527 8.316 17.238 1.00 74.01 H new ATOM 0 HZ1 LYS A 49 -6.358 7.061 15.352 1.00 52.35 H new ATOM 0 HZ2 LYS A 49 -4.891 7.820 14.956 1.00 52.35 H new ATOM 0 HZ3 LYS A 49 -4.924 6.154 15.282 1.00 52.35 H new ATOM 839 N ASN A 50 -0.464 2.791 18.474 1.00 55.42 N ATOM 840 CA ASN A 50 0.949 2.914 18.865 1.00 54.21 C ATOM 841 C ASN A 50 1.749 3.228 17.599 1.00 64.12 C ATOM 842 O ASN A 50 1.282 2.929 16.483 1.00 0.12 O ATOM 843 CB ASN A 50 1.462 1.603 19.544 1.00 13.12 C ATOM 844 CG ASN A 50 1.365 0.349 18.659 1.00 21.13 C ATOM 845 OD1 ASN A 50 0.465 0.212 17.830 1.00 72.35 O ATOM 846 ND2 ASN A 50 2.291 -0.581 18.827 1.00 45.24 N ATOM 0 H ASN A 50 -0.686 1.896 18.039 1.00 55.42 H new ATOM 0 HA ASN A 50 1.071 3.712 19.598 1.00 54.21 H new ATOM 0 HB2 ASN A 50 2.501 1.744 19.840 1.00 13.12 H new ATOM 0 HB3 ASN A 50 0.891 1.434 20.457 1.00 13.12 H new ATOM 0 HD21 ASN A 50 2.268 -1.431 18.264 1.00 45.24 H new ATOM 0 HD22 ASN A 50 3.028 -0.448 19.519 1.00 45.24 H new ATOM 853 N PHE A 51 2.917 3.869 17.753 1.00 5.33 N ATOM 854 CA PHE A 51 3.816 4.107 16.620 1.00 24.21 C ATOM 855 C PHE A 51 4.356 2.750 16.123 1.00 5.23 C ATOM 856 O PHE A 51 5.206 2.129 16.773 1.00 32.11 O ATOM 857 CB PHE A 51 4.957 5.085 16.989 1.00 11.41 C ATOM 858 CG PHE A 51 5.815 5.468 15.788 1.00 51.21 C ATOM 859 CD1 PHE A 51 5.342 6.368 14.828 1.00 65.40 C ATOM 860 CD2 PHE A 51 7.078 4.912 15.601 1.00 41.05 C ATOM 861 CE1 PHE A 51 6.110 6.695 13.725 1.00 1.11 C ATOM 862 CE2 PHE A 51 7.836 5.237 14.501 1.00 4.00 C ATOM 863 CZ PHE A 51 7.356 6.129 13.563 1.00 3.14 C ATOM 0 H PHE A 51 3.257 4.229 18.645 1.00 5.33 H new ATOM 0 HA PHE A 51 3.261 4.587 15.814 1.00 24.21 H new ATOM 0 HB2 PHE A 51 4.530 5.987 17.427 1.00 11.41 H new ATOM 0 HB3 PHE A 51 5.589 4.629 17.751 1.00 11.41 H new ATOM 0 HD1 PHE A 51 4.365 6.813 14.949 1.00 65.40 H new ATOM 0 HD2 PHE A 51 7.467 4.216 16.330 1.00 41.05 H new ATOM 0 HE1 PHE A 51 5.734 7.393 12.992 1.00 1.11 H new ATOM 0 HE2 PHE A 51 8.812 4.792 14.370 1.00 4.00 H new ATOM 0 HZ PHE A 51 7.957 6.383 12.702 1.00 3.14 H new ATOM 873 N GLU A 52 3.834 2.304 14.970 1.00 62.41 N ATOM 874 CA GLU A 52 3.960 0.914 14.519 1.00 33.13 C ATOM 875 C GLU A 52 4.033 0.860 12.981 1.00 43.55 C ATOM 876 O GLU A 52 3.391 1.655 12.294 1.00 63.23 O ATOM 877 CB GLU A 52 2.746 0.121 15.071 1.00 25.31 C ATOM 878 CG GLU A 52 2.745 -1.382 14.784 1.00 30.30 C ATOM 879 CD GLU A 52 1.598 -2.117 15.501 1.00 5.15 C ATOM 880 OE1 GLU A 52 0.462 -2.116 14.976 1.00 74.13 O ATOM 881 OE2 GLU A 52 1.825 -2.665 16.608 1.00 52.14 O ATOM 0 H GLU A 52 3.313 2.899 14.326 1.00 62.41 H new ATOM 0 HA GLU A 52 4.879 0.464 14.894 1.00 33.13 H new ATOM 0 HB2 GLU A 52 2.702 0.265 16.151 1.00 25.31 H new ATOM 0 HB3 GLU A 52 1.835 0.552 14.655 1.00 25.31 H new ATOM 0 HG2 GLU A 52 2.660 -1.544 13.709 1.00 30.30 H new ATOM 0 HG3 GLU A 52 3.698 -1.809 15.097 1.00 30.30 H new ATOM 888 N LYS A 53 4.836 -0.076 12.464 1.00 72.32 N ATOM 889 CA LYS A 53 5.103 -0.222 11.022 1.00 41.24 C ATOM 890 C LYS A 53 4.288 -1.401 10.453 1.00 60.20 C ATOM 891 O LYS A 53 4.632 -2.579 10.624 1.00 0.55 O ATOM 892 CB LYS A 53 6.637 -0.358 10.730 1.00 23.12 C ATOM 893 CG LYS A 53 7.422 -1.483 11.468 1.00 14.34 C ATOM 894 CD LYS A 53 7.734 -1.154 12.953 1.00 21.34 C ATOM 895 CE LYS A 53 8.691 -2.162 13.602 1.00 2.21 C ATOM 896 NZ LYS A 53 8.183 -3.552 13.563 1.00 53.04 N ATOM 0 H LYS A 53 5.326 -0.763 13.038 1.00 72.32 H new ATOM 0 HA LYS A 53 4.779 0.685 10.512 1.00 41.24 H new ATOM 0 HB2 LYS A 53 6.761 -0.511 9.658 1.00 23.12 H new ATOM 0 HB3 LYS A 53 7.109 0.594 10.973 1.00 23.12 H new ATOM 0 HG2 LYS A 53 6.845 -2.406 11.423 1.00 14.34 H new ATOM 0 HG3 LYS A 53 8.358 -1.666 10.941 1.00 14.34 H new ATOM 0 HD2 LYS A 53 8.169 -0.157 13.015 1.00 21.34 H new ATOM 0 HD3 LYS A 53 6.802 -1.131 13.518 1.00 21.34 H new ATOM 0 HE2 LYS A 53 9.654 -2.119 13.094 1.00 2.21 H new ATOM 0 HE3 LYS A 53 8.865 -1.874 14.639 1.00 2.21 H new ATOM 0 HZ1 LYS A 53 8.830 -4.173 14.089 1.00 53.04 H new ATOM 0 HZ2 LYS A 53 7.239 -3.589 13.997 1.00 53.04 H new ATOM 0 HZ3 LYS A 53 8.123 -3.872 12.575 1.00 53.04 H new ATOM 910 N ILE A 54 3.154 -1.052 9.825 1.00 25.44 N ATOM 911 CA ILE A 54 2.226 -2.002 9.193 1.00 62.10 C ATOM 912 C ILE A 54 2.262 -1.786 7.676 1.00 64.21 C ATOM 913 O ILE A 54 2.355 -0.654 7.207 1.00 20.10 O ATOM 914 CB ILE A 54 0.752 -1.804 9.736 1.00 13.12 C ATOM 915 CG1 ILE A 54 0.711 -1.902 11.292 1.00 60.22 C ATOM 916 CG2 ILE A 54 -0.250 -2.805 9.102 1.00 75.21 C ATOM 917 CD1 ILE A 54 1.192 -3.228 11.854 1.00 20.52 C ATOM 0 H ILE A 54 2.851 -0.082 9.741 1.00 25.44 H new ATOM 0 HA ILE A 54 2.534 -3.019 9.435 1.00 62.10 H new ATOM 0 HB ILE A 54 0.441 -0.802 9.440 1.00 13.12 H new ATOM 0 HG12 ILE A 54 1.322 -1.102 11.710 1.00 60.22 H new ATOM 0 HG13 ILE A 54 -0.312 -1.730 11.627 1.00 60.22 H new ATOM 0 HG21 ILE A 54 -1.246 -2.628 9.507 1.00 75.21 H new ATOM 0 HG22 ILE A 54 -0.268 -2.666 8.021 1.00 75.21 H new ATOM 0 HG23 ILE A 54 0.059 -3.825 9.332 1.00 75.21 H new ATOM 0 HD11 ILE A 54 1.129 -3.206 12.942 1.00 20.52 H new ATOM 0 HD12 ILE A 54 0.567 -4.034 11.470 1.00 20.52 H new ATOM 0 HD13 ILE A 54 2.226 -3.397 11.554 1.00 20.52 H new ATOM 929 N LEU A 55 2.205 -2.879 6.916 1.00 13.02 N ATOM 930 CA LEU A 55 2.148 -2.830 5.451 1.00 2.01 C ATOM 931 C LEU A 55 0.808 -3.418 5.015 1.00 45.44 C ATOM 932 O LEU A 55 0.552 -4.594 5.239 1.00 74.32 O ATOM 933 CB LEU A 55 3.368 -3.589 4.846 1.00 2.12 C ATOM 934 CG LEU A 55 3.600 -3.422 3.296 1.00 15.34 C ATOM 935 CD1 LEU A 55 5.082 -3.587 2.933 1.00 61.41 C ATOM 936 CD2 LEU A 55 2.740 -4.392 2.459 1.00 75.02 C ATOM 0 H LEU A 55 2.197 -3.825 7.297 1.00 13.02 H new ATOM 0 HA LEU A 55 2.212 -1.806 5.083 1.00 2.01 H new ATOM 0 HB2 LEU A 55 4.268 -3.257 5.364 1.00 2.12 H new ATOM 0 HB3 LEU A 55 3.250 -4.651 5.061 1.00 2.12 H new ATOM 0 HG LEU A 55 3.286 -2.408 3.050 1.00 15.34 H new ATOM 0 HD11 LEU A 55 5.209 -3.466 1.857 1.00 61.41 H new ATOM 0 HD12 LEU A 55 5.671 -2.832 3.455 1.00 61.41 H new ATOM 0 HD13 LEU A 55 5.421 -4.580 3.229 1.00 61.41 H new ATOM 0 HD21 LEU A 55 2.940 -4.233 1.399 1.00 75.02 H new ATOM 0 HD22 LEU A 55 2.987 -5.420 2.725 1.00 75.02 H new ATOM 0 HD23 LEU A 55 1.685 -4.209 2.661 1.00 75.02 H new ATOM 948 N ILE A 56 -0.048 -2.592 4.398 1.00 1.21 N ATOM 949 CA ILE A 56 -1.388 -3.011 3.970 1.00 75.24 C ATOM 950 C ILE A 56 -1.336 -3.384 2.478 1.00 42.34 C ATOM 951 O ILE A 56 -0.961 -2.556 1.651 1.00 73.14 O ATOM 952 CB ILE A 56 -2.466 -1.877 4.201 1.00 3.35 C ATOM 953 CG1 ILE A 56 -2.493 -1.386 5.690 1.00 51.44 C ATOM 954 CG2 ILE A 56 -3.881 -2.334 3.747 1.00 23.24 C ATOM 955 CD1 ILE A 56 -2.999 -2.400 6.707 1.00 73.03 C ATOM 0 H ILE A 56 0.168 -1.619 4.183 1.00 1.21 H new ATOM 0 HA ILE A 56 -1.688 -3.870 4.571 1.00 75.24 H new ATOM 0 HB ILE A 56 -2.168 -1.031 3.581 1.00 3.35 H new ATOM 0 HG12 ILE A 56 -1.484 -1.086 5.973 1.00 51.44 H new ATOM 0 HG13 ILE A 56 -3.119 -0.495 5.749 1.00 51.44 H new ATOM 0 HG21 ILE A 56 -4.596 -1.530 3.920 1.00 23.24 H new ATOM 0 HG22 ILE A 56 -3.861 -2.579 2.685 1.00 23.24 H new ATOM 0 HG23 ILE A 56 -4.179 -3.214 4.317 1.00 23.24 H new ATOM 0 HD11 ILE A 56 -2.976 -1.958 7.703 1.00 73.03 H new ATOM 0 HD12 ILE A 56 -4.022 -2.684 6.459 1.00 73.03 H new ATOM 0 HD13 ILE A 56 -2.362 -3.284 6.687 1.00 73.03 H new ATOM 967 N ILE A 57 -1.685 -4.640 2.150 1.00 42.32 N ATOM 968 CA ILE A 57 -1.861 -5.089 0.749 1.00 21.31 C ATOM 969 C ILE A 57 -3.369 -5.196 0.449 1.00 4.55 C ATOM 970 O ILE A 57 -4.152 -5.555 1.327 1.00 21.43 O ATOM 971 CB ILE A 57 -1.140 -6.474 0.463 1.00 10.35 C ATOM 972 CG1 ILE A 57 0.389 -6.364 0.758 1.00 43.21 C ATOM 973 CG2 ILE A 57 -1.384 -6.961 -0.994 1.00 0.11 C ATOM 974 CD1 ILE A 57 1.176 -7.657 0.628 1.00 3.11 C ATOM 0 H ILE A 57 -1.853 -5.372 2.840 1.00 42.32 H new ATOM 0 HA ILE A 57 -1.395 -4.354 0.093 1.00 21.31 H new ATOM 0 HB ILE A 57 -1.574 -7.217 1.132 1.00 10.35 H new ATOM 0 HG12 ILE A 57 0.820 -5.627 0.080 1.00 43.21 H new ATOM 0 HG13 ILE A 57 0.519 -5.980 1.770 1.00 43.21 H new ATOM 0 HG21 ILE A 57 -0.874 -7.912 -1.150 1.00 0.11 H new ATOM 0 HG22 ILE A 57 -2.453 -7.091 -1.160 1.00 0.11 H new ATOM 0 HG23 ILE A 57 -0.996 -6.222 -1.695 1.00 0.11 H new ATOM 0 HD11 ILE A 57 2.225 -7.468 0.854 1.00 3.11 H new ATOM 0 HD12 ILE A 57 0.781 -8.395 1.326 1.00 3.11 H new ATOM 0 HD13 ILE A 57 1.087 -8.037 -0.390 1.00 3.11 H new ATOM 986 N SER A 58 -3.761 -4.824 -0.775 1.00 5.12 N ATOM 987 CA SER A 58 -5.116 -5.031 -1.292 1.00 11.12 C ATOM 988 C SER A 58 -5.032 -5.137 -2.817 1.00 32.34 C ATOM 989 O SER A 58 -4.490 -4.242 -3.462 1.00 40.01 O ATOM 990 CB SER A 58 -6.065 -3.877 -0.861 1.00 33.23 C ATOM 991 OG SER A 58 -7.395 -4.104 -1.307 1.00 11.23 O ATOM 0 H SER A 58 -3.138 -4.366 -1.441 1.00 5.12 H new ATOM 0 HA SER A 58 -5.533 -5.950 -0.879 1.00 11.12 H new ATOM 0 HB2 SER A 58 -6.055 -3.782 0.225 1.00 33.23 H new ATOM 0 HB3 SER A 58 -5.700 -2.933 -1.266 1.00 33.23 H new ATOM 0 HG SER A 58 -7.595 -3.506 -2.057 1.00 11.23 H new ATOM 997 N ASN A 59 -5.552 -6.243 -3.383 1.00 72.13 N ATOM 998 CA ASN A 59 -5.576 -6.454 -4.853 1.00 55.51 C ATOM 999 C ASN A 59 -6.777 -5.722 -5.485 1.00 30.31 C ATOM 1000 O ASN A 59 -6.888 -5.629 -6.712 1.00 41.45 O ATOM 1001 CB ASN A 59 -5.584 -7.977 -5.207 1.00 60.32 C ATOM 1002 CG ASN A 59 -6.773 -8.777 -4.664 1.00 13.52 C ATOM 1003 OD1 ASN A 59 -7.886 -8.271 -4.499 1.00 23.21 O ATOM 1004 ND2 ASN A 59 -6.551 -10.052 -4.393 1.00 52.32 N ATOM 0 H ASN A 59 -5.963 -7.008 -2.848 1.00 72.13 H new ATOM 0 HA ASN A 59 -4.664 -6.030 -5.273 1.00 55.51 H new ATOM 0 HB2 ASN A 59 -5.565 -8.080 -6.292 1.00 60.32 H new ATOM 0 HB3 ASN A 59 -4.665 -8.424 -4.829 1.00 60.32 H new ATOM 0 HD21 ASN A 59 -7.308 -10.638 -4.040 1.00 52.32 H new ATOM 0 HD22 ASN A 59 -5.623 -10.450 -4.537 1.00 52.32 H new ATOM 1011 N ASP A 60 -7.659 -5.194 -4.617 1.00 71.32 N ATOM 1012 CA ASP A 60 -8.893 -4.506 -5.003 1.00 11.33 C ATOM 1013 C ASP A 60 -8.735 -3.004 -4.708 1.00 53.24 C ATOM 1014 O ASP A 60 -8.575 -2.605 -3.546 1.00 21.11 O ATOM 1015 CB ASP A 60 -10.086 -5.106 -4.215 1.00 12.20 C ATOM 1016 CG ASP A 60 -11.442 -4.502 -4.626 1.00 4.21 C ATOM 1017 OD1 ASP A 60 -11.848 -3.479 -4.056 1.00 21.31 O ATOM 1018 OD2 ASP A 60 -12.098 -5.039 -5.543 1.00 63.30 O ATOM 0 H ASP A 60 -7.526 -5.238 -3.607 1.00 71.32 H new ATOM 0 HA ASP A 60 -9.087 -4.638 -6.067 1.00 11.33 H new ATOM 0 HB2 ASP A 60 -10.112 -6.184 -4.371 1.00 12.20 H new ATOM 0 HB3 ASP A 60 -9.929 -4.942 -3.149 1.00 12.20 H new ATOM 1023 N LYS A 61 -8.770 -2.182 -5.768 1.00 62.43 N ATOM 1024 CA LYS A 61 -8.523 -0.734 -5.659 1.00 70.54 C ATOM 1025 C LYS A 61 -9.709 0.026 -5.018 1.00 13.15 C ATOM 1026 O LYS A 61 -9.508 1.119 -4.494 1.00 3.22 O ATOM 1027 CB LYS A 61 -8.166 -0.126 -7.039 1.00 65.44 C ATOM 1028 CG LYS A 61 -9.291 -0.212 -8.090 1.00 24.42 C ATOM 1029 CD LYS A 61 -8.928 0.523 -9.400 1.00 32.12 C ATOM 1030 CE LYS A 61 -10.023 0.405 -10.467 1.00 20.42 C ATOM 1031 NZ LYS A 61 -9.675 1.152 -11.701 1.00 22.14 N ATOM 0 H LYS A 61 -8.968 -2.498 -6.717 1.00 62.43 H new ATOM 0 HA LYS A 61 -7.670 -0.613 -4.992 1.00 70.54 H new ATOM 0 HB2 LYS A 61 -7.895 0.921 -6.901 1.00 65.44 H new ATOM 0 HB3 LYS A 61 -7.284 -0.635 -7.428 1.00 65.44 H new ATOM 0 HG2 LYS A 61 -9.501 -1.259 -8.310 1.00 24.42 H new ATOM 0 HG3 LYS A 61 -10.204 0.216 -7.677 1.00 24.42 H new ATOM 0 HD2 LYS A 61 -8.749 1.576 -9.183 1.00 32.12 H new ATOM 0 HD3 LYS A 61 -7.997 0.116 -9.794 1.00 32.12 H new ATOM 0 HE2 LYS A 61 -10.181 -0.646 -10.711 1.00 20.42 H new ATOM 0 HE3 LYS A 61 -10.963 0.784 -10.066 1.00 20.42 H new ATOM 0 HZ1 LYS A 61 -10.440 1.047 -12.398 1.00 22.14 H new ATOM 0 HZ2 LYS A 61 -9.549 2.159 -11.473 1.00 22.14 H new ATOM 0 HZ3 LYS A 61 -8.791 0.774 -12.098 1.00 22.14 H new ATOM 1045 N GLN A 62 -10.932 -0.556 -5.050 1.00 24.31 N ATOM 1046 CA GLN A 62 -12.130 0.067 -4.424 1.00 12.41 C ATOM 1047 C GLN A 62 -11.959 0.121 -2.893 1.00 52.32 C ATOM 1048 O GLN A 62 -12.254 1.138 -2.253 1.00 1.52 O ATOM 1049 CB GLN A 62 -13.425 -0.709 -4.800 1.00 72.14 C ATOM 1050 CG GLN A 62 -14.714 -0.166 -4.155 1.00 44.11 C ATOM 1051 CD GLN A 62 -15.962 -0.964 -4.534 1.00 70.22 C ATOM 1052 OE1 GLN A 62 -16.329 -1.925 -3.856 1.00 14.42 O ATOM 1053 NE2 GLN A 62 -16.614 -0.584 -5.623 1.00 11.34 N ATOM 0 H GLN A 62 -11.118 -1.452 -5.500 1.00 24.31 H new ATOM 0 HA GLN A 62 -12.226 1.084 -4.805 1.00 12.41 H new ATOM 0 HB2 GLN A 62 -13.542 -0.690 -5.884 1.00 72.14 H new ATOM 0 HB3 GLN A 62 -13.303 -1.753 -4.511 1.00 72.14 H new ATOM 0 HG2 GLN A 62 -14.601 -0.174 -3.071 1.00 44.11 H new ATOM 0 HG3 GLN A 62 -14.851 0.873 -4.453 1.00 44.11 H new ATOM 0 HE21 GLN A 62 -16.284 0.216 -6.162 1.00 11.34 H new ATOM 0 HE22 GLN A 62 -17.446 -1.092 -5.922 1.00 11.34 H new ATOM 1062 N LEU A 63 -11.452 -0.992 -2.338 1.00 3.23 N ATOM 1063 CA LEU A 63 -11.132 -1.123 -0.906 1.00 65.44 C ATOM 1064 C LEU A 63 -9.944 -0.231 -0.533 1.00 31.41 C ATOM 1065 O LEU A 63 -9.873 0.280 0.573 1.00 62.15 O ATOM 1066 CB LEU A 63 -10.813 -2.599 -0.563 1.00 51.35 C ATOM 1067 CG LEU A 63 -11.991 -3.599 -0.745 1.00 52.25 C ATOM 1068 CD1 LEU A 63 -11.524 -5.046 -0.511 1.00 52.13 C ATOM 1069 CD2 LEU A 63 -13.179 -3.232 0.168 1.00 53.23 C ATOM 0 H LEU A 63 -11.251 -1.835 -2.876 1.00 3.23 H new ATOM 0 HA LEU A 63 -12.000 -0.803 -0.330 1.00 65.44 H new ATOM 0 HB2 LEU A 63 -9.981 -2.927 -1.187 1.00 51.35 H new ATOM 0 HB3 LEU A 63 -10.474 -2.648 0.472 1.00 51.35 H new ATOM 0 HG LEU A 63 -12.339 -3.527 -1.776 1.00 52.25 H new ATOM 0 HD11 LEU A 63 -12.366 -5.726 -0.644 1.00 52.13 H new ATOM 0 HD12 LEU A 63 -10.740 -5.295 -1.226 1.00 52.13 H new ATOM 0 HD13 LEU A 63 -11.136 -5.144 0.503 1.00 52.13 H new ATOM 0 HD21 LEU A 63 -13.987 -3.948 0.019 1.00 53.23 H new ATOM 0 HD22 LEU A 63 -12.859 -3.258 1.210 1.00 53.23 H new ATOM 0 HD23 LEU A 63 -13.532 -2.231 -0.079 1.00 53.23 H new ATOM 1081 N LEU A 64 -9.009 -0.070 -1.472 1.00 21.14 N ATOM 1082 CA LEU A 64 -7.874 0.852 -1.314 1.00 54.41 C ATOM 1083 C LEU A 64 -8.369 2.309 -1.163 1.00 62.01 C ATOM 1084 O LEU A 64 -7.861 3.047 -0.323 1.00 71.10 O ATOM 1085 CB LEU A 64 -6.897 0.670 -2.505 1.00 33.05 C ATOM 1086 CG LEU A 64 -5.708 1.698 -2.639 1.00 44.44 C ATOM 1087 CD1 LEU A 64 -4.438 1.011 -3.149 1.00 62.12 C ATOM 1088 CD2 LEU A 64 -6.071 2.880 -3.576 1.00 41.20 C ATOM 0 H LEU A 64 -9.014 -0.571 -2.361 1.00 21.14 H new ATOM 0 HA LEU A 64 -7.330 0.619 -0.399 1.00 54.41 H new ATOM 0 HB2 LEU A 64 -6.470 -0.331 -2.439 1.00 33.05 H new ATOM 0 HB3 LEU A 64 -7.479 0.708 -3.426 1.00 33.05 H new ATOM 0 HG LEU A 64 -5.522 2.094 -1.641 1.00 44.44 H new ATOM 0 HD11 LEU A 64 -3.636 1.744 -3.231 1.00 62.12 H new ATOM 0 HD12 LEU A 64 -4.143 0.227 -2.451 1.00 62.12 H new ATOM 0 HD13 LEU A 64 -4.630 0.572 -4.128 1.00 62.12 H new ATOM 0 HD21 LEU A 64 -5.226 3.565 -3.641 1.00 41.20 H new ATOM 0 HD22 LEU A 64 -6.306 2.498 -4.569 1.00 41.20 H new ATOM 0 HD23 LEU A 64 -6.936 3.409 -3.176 1.00 41.20 H new ATOM 1100 N LYS A 65 -9.388 2.685 -1.955 1.00 1.31 N ATOM 1101 CA LYS A 65 -10.003 4.032 -1.911 1.00 71.41 C ATOM 1102 C LYS A 65 -10.701 4.262 -0.556 1.00 12.52 C ATOM 1103 O LYS A 65 -10.444 5.274 0.108 1.00 60.24 O ATOM 1104 CB LYS A 65 -11.004 4.186 -3.087 1.00 23.11 C ATOM 1105 CG LYS A 65 -10.347 4.150 -4.487 1.00 43.11 C ATOM 1106 CD LYS A 65 -11.344 3.796 -5.624 1.00 3.24 C ATOM 1107 CE LYS A 65 -12.460 4.833 -5.816 1.00 14.34 C ATOM 1108 NZ LYS A 65 -13.400 4.438 -6.904 1.00 55.50 N ATOM 0 H LYS A 65 -9.812 2.066 -2.646 1.00 1.31 H new ATOM 0 HA LYS A 65 -9.223 4.787 -2.016 1.00 71.41 H new ATOM 0 HB2 LYS A 65 -11.745 3.389 -3.025 1.00 23.11 H new ATOM 0 HB3 LYS A 65 -11.539 5.129 -2.973 1.00 23.11 H new ATOM 0 HG2 LYS A 65 -9.899 5.121 -4.696 1.00 43.11 H new ATOM 0 HG3 LYS A 65 -9.538 3.420 -4.482 1.00 43.11 H new ATOM 0 HD2 LYS A 65 -10.793 3.692 -6.559 1.00 3.24 H new ATOM 0 HD3 LYS A 65 -11.795 2.827 -5.411 1.00 3.24 H new ATOM 0 HE2 LYS A 65 -13.012 4.950 -4.883 1.00 14.34 H new ATOM 0 HE3 LYS A 65 -12.020 5.802 -6.050 1.00 14.34 H new ATOM 0 HZ1 LYS A 65 -14.139 5.162 -7.004 1.00 55.50 H new ATOM 0 HZ2 LYS A 65 -12.878 4.350 -7.799 1.00 55.50 H new ATOM 0 HZ3 LYS A 65 -13.839 3.525 -6.669 1.00 55.50 H new ATOM 1122 N GLU A 66 -11.535 3.279 -0.147 1.00 30.52 N ATOM 1123 CA GLU A 66 -12.213 3.271 1.171 1.00 63.04 C ATOM 1124 C GLU A 66 -11.187 3.406 2.316 1.00 11.11 C ATOM 1125 O GLU A 66 -11.380 4.198 3.243 1.00 20.11 O ATOM 1126 CB GLU A 66 -13.021 1.958 1.351 1.00 14.35 C ATOM 1127 CG GLU A 66 -14.203 1.775 0.381 1.00 61.13 C ATOM 1128 CD GLU A 66 -15.359 2.758 0.632 1.00 24.22 C ATOM 1129 OE1 GLU A 66 -16.164 2.515 1.560 1.00 21.10 O ATOM 1130 OE2 GLU A 66 -15.478 3.763 -0.099 1.00 64.01 O ATOM 0 H GLU A 66 -11.758 2.467 -0.722 1.00 30.52 H new ATOM 0 HA GLU A 66 -12.893 4.122 1.206 1.00 63.04 H new ATOM 0 HB2 GLU A 66 -12.342 1.114 1.233 1.00 14.35 H new ATOM 0 HB3 GLU A 66 -13.401 1.922 2.372 1.00 14.35 H new ATOM 0 HG2 GLU A 66 -13.846 1.899 -0.642 1.00 61.13 H new ATOM 0 HG3 GLU A 66 -14.578 0.755 0.466 1.00 61.13 H new ATOM 1137 N MET A 67 -10.085 2.637 2.188 1.00 44.22 N ATOM 1138 CA MET A 67 -8.973 2.584 3.159 1.00 21.24 C ATOM 1139 C MET A 67 -8.399 3.996 3.385 1.00 44.33 C ATOM 1140 O MET A 67 -8.326 4.467 4.513 1.00 20.32 O ATOM 1141 CB MET A 67 -7.855 1.629 2.626 1.00 1.34 C ATOM 1142 CG MET A 67 -6.740 1.272 3.626 1.00 71.31 C ATOM 1143 SD MET A 67 -7.248 0.049 4.863 1.00 53.22 S ATOM 1144 CE MET A 67 -7.554 -1.406 3.855 1.00 2.25 C ATOM 0 H MET A 67 -9.941 2.021 1.387 1.00 44.22 H new ATOM 0 HA MET A 67 -9.346 2.203 4.109 1.00 21.24 H new ATOM 0 HB2 MET A 67 -8.324 0.704 2.290 1.00 1.34 H new ATOM 0 HB3 MET A 67 -7.397 2.090 1.751 1.00 1.34 H new ATOM 0 HG2 MET A 67 -5.880 0.888 3.078 1.00 71.31 H new ATOM 0 HG3 MET A 67 -6.414 2.179 4.135 1.00 71.31 H new ATOM 0 HE1 MET A 67 -8.553 -1.790 4.064 1.00 2.25 H new ATOM 0 HE2 MET A 67 -7.480 -1.140 2.800 1.00 2.25 H new ATOM 0 HE3 MET A 67 -6.815 -2.172 4.088 1.00 2.25 H new ATOM 1154 N LEU A 68 -8.068 4.676 2.268 1.00 33.23 N ATOM 1155 CA LEU A 68 -7.438 6.012 2.278 1.00 24.23 C ATOM 1156 C LEU A 68 -8.378 7.090 2.868 1.00 64.05 C ATOM 1157 O LEU A 68 -7.926 7.999 3.561 1.00 63.21 O ATOM 1158 CB LEU A 68 -7.001 6.406 0.842 1.00 64.44 C ATOM 1159 CG LEU A 68 -5.959 5.466 0.155 1.00 24.41 C ATOM 1160 CD1 LEU A 68 -5.813 5.814 -1.333 1.00 71.34 C ATOM 1161 CD2 LEU A 68 -4.586 5.489 0.868 1.00 14.43 C ATOM 0 H LEU A 68 -8.231 4.312 1.329 1.00 33.23 H new ATOM 0 HA LEU A 68 -6.560 5.958 2.921 1.00 24.23 H new ATOM 0 HB2 LEU A 68 -7.890 6.449 0.213 1.00 64.44 H new ATOM 0 HB3 LEU A 68 -6.585 7.413 0.875 1.00 64.44 H new ATOM 0 HG LEU A 68 -6.340 4.448 0.238 1.00 24.41 H new ATOM 0 HD11 LEU A 68 -5.083 5.148 -1.793 1.00 71.34 H new ATOM 0 HD12 LEU A 68 -6.776 5.696 -1.830 1.00 71.34 H new ATOM 0 HD13 LEU A 68 -5.477 6.846 -1.434 1.00 71.34 H new ATOM 0 HD21 LEU A 68 -3.897 4.820 0.353 1.00 14.43 H new ATOM 0 HD22 LEU A 68 -4.186 6.503 0.854 1.00 14.43 H new ATOM 0 HD23 LEU A 68 -4.707 5.161 1.900 1.00 14.43 H new ATOM 1173 N GLU A 69 -9.688 6.964 2.590 1.00 2.13 N ATOM 1174 CA GLU A 69 -10.726 7.884 3.121 1.00 41.51 C ATOM 1175 C GLU A 69 -10.810 7.786 4.659 1.00 3.01 C ATOM 1176 O GLU A 69 -10.932 8.802 5.357 1.00 40.43 O ATOM 1177 CB GLU A 69 -12.093 7.576 2.446 1.00 72.42 C ATOM 1178 CG GLU A 69 -12.108 7.881 0.934 1.00 62.12 C ATOM 1179 CD GLU A 69 -13.430 7.534 0.230 1.00 52.21 C ATOM 1180 OE1 GLU A 69 -14.466 8.152 0.563 1.00 53.13 O ATOM 1181 OE2 GLU A 69 -13.441 6.658 -0.667 1.00 61.32 O ATOM 0 H GLU A 69 -10.062 6.226 1.994 1.00 2.13 H new ATOM 0 HA GLU A 69 -10.453 8.912 2.882 1.00 41.51 H new ATOM 0 HB2 GLU A 69 -12.338 6.525 2.600 1.00 72.42 H new ATOM 0 HB3 GLU A 69 -12.872 8.160 2.935 1.00 72.42 H new ATOM 0 HG2 GLU A 69 -11.899 8.941 0.787 1.00 62.12 H new ATOM 0 HG3 GLU A 69 -11.300 7.328 0.456 1.00 62.12 H new ATOM 1188 N LEU A 70 -10.691 6.550 5.163 1.00 12.11 N ATOM 1189 CA LEU A 70 -10.644 6.252 6.609 1.00 50.45 C ATOM 1190 C LEU A 70 -9.313 6.739 7.241 1.00 24.11 C ATOM 1191 O LEU A 70 -9.300 7.233 8.374 1.00 73.31 O ATOM 1192 CB LEU A 70 -10.840 4.727 6.814 1.00 33.11 C ATOM 1193 CG LEU A 70 -12.223 4.159 6.350 1.00 40.12 C ATOM 1194 CD1 LEU A 70 -12.191 2.621 6.268 1.00 24.23 C ATOM 1195 CD2 LEU A 70 -13.365 4.640 7.273 1.00 5.11 C ATOM 0 H LEU A 70 -10.624 5.718 4.576 1.00 12.11 H new ATOM 0 HA LEU A 70 -11.447 6.789 7.114 1.00 50.45 H new ATOM 0 HB2 LEU A 70 -10.051 4.201 6.276 1.00 33.11 H new ATOM 0 HB3 LEU A 70 -10.710 4.500 7.872 1.00 33.11 H new ATOM 0 HG LEU A 70 -12.420 4.545 5.350 1.00 40.12 H new ATOM 0 HD11 LEU A 70 -13.165 2.254 5.943 1.00 24.23 H new ATOM 0 HD12 LEU A 70 -11.429 2.311 5.553 1.00 24.23 H new ATOM 0 HD13 LEU A 70 -11.957 2.209 7.250 1.00 24.23 H new ATOM 0 HD21 LEU A 70 -14.312 4.229 6.924 1.00 5.11 H new ATOM 0 HD22 LEU A 70 -13.176 4.302 8.292 1.00 5.11 H new ATOM 0 HD23 LEU A 70 -13.414 5.729 7.255 1.00 5.11 H new ATOM 1207 N ILE A 71 -8.206 6.618 6.471 1.00 25.15 N ATOM 1208 CA ILE A 71 -6.854 7.063 6.886 1.00 72.14 C ATOM 1209 C ILE A 71 -6.826 8.588 7.115 1.00 4.12 C ATOM 1210 O ILE A 71 -6.270 9.047 8.107 1.00 72.41 O ATOM 1211 CB ILE A 71 -5.750 6.661 5.817 1.00 42.43 C ATOM 1212 CG1 ILE A 71 -5.525 5.112 5.804 1.00 44.11 C ATOM 1213 CG2 ILE A 71 -4.419 7.414 6.054 1.00 52.21 C ATOM 1214 CD1 ILE A 71 -4.675 4.573 4.662 1.00 60.12 C ATOM 0 H ILE A 71 -8.226 6.206 5.538 1.00 25.15 H new ATOM 0 HA ILE A 71 -6.623 6.556 7.823 1.00 72.14 H new ATOM 0 HB ILE A 71 -6.120 6.961 4.837 1.00 42.43 H new ATOM 0 HG12 ILE A 71 -5.058 4.824 6.746 1.00 44.11 H new ATOM 0 HG13 ILE A 71 -6.499 4.623 5.769 1.00 44.11 H new ATOM 0 HG21 ILE A 71 -3.691 7.111 5.302 1.00 52.21 H new ATOM 0 HG22 ILE A 71 -4.591 8.488 5.981 1.00 52.21 H new ATOM 0 HG23 ILE A 71 -4.037 7.174 7.046 1.00 52.21 H new ATOM 0 HD11 ILE A 71 -4.586 3.491 4.754 1.00 60.12 H new ATOM 0 HD12 ILE A 71 -5.146 4.819 3.710 1.00 60.12 H new ATOM 0 HD13 ILE A 71 -3.683 5.023 4.703 1.00 60.12 H new ATOM 1226 N SER A 72 -7.462 9.349 6.202 1.00 22.44 N ATOM 1227 CA SER A 72 -7.458 10.830 6.226 1.00 31.51 C ATOM 1228 C SER A 72 -8.120 11.384 7.509 1.00 21.43 C ATOM 1229 O SER A 72 -7.802 12.489 7.962 1.00 11.15 O ATOM 1230 CB SER A 72 -8.180 11.368 4.977 1.00 63.33 C ATOM 1231 OG SER A 72 -7.604 10.849 3.785 1.00 71.52 O ATOM 0 H SER A 72 -7.994 8.956 5.426 1.00 22.44 H new ATOM 0 HA SER A 72 -6.421 11.167 6.223 1.00 31.51 H new ATOM 0 HB2 SER A 72 -9.236 11.100 5.020 1.00 63.33 H new ATOM 0 HB3 SER A 72 -8.128 12.457 4.965 1.00 63.33 H new ATOM 0 HG SER A 72 -7.792 9.889 3.722 1.00 71.52 H new ATOM 1237 N LYS A 73 -9.050 10.595 8.070 1.00 60.13 N ATOM 1238 CA LYS A 73 -9.728 10.915 9.334 1.00 12.01 C ATOM 1239 C LYS A 73 -8.788 10.700 10.542 1.00 34.23 C ATOM 1240 O LYS A 73 -8.747 11.523 11.461 1.00 72.51 O ATOM 1241 CB LYS A 73 -11.011 10.043 9.472 1.00 34.44 C ATOM 1242 CG LYS A 73 -12.034 10.216 8.324 1.00 24.34 C ATOM 1243 CD LYS A 73 -12.516 11.676 8.129 1.00 33.43 C ATOM 1244 CE LYS A 73 -13.296 12.223 9.332 1.00 54.30 C ATOM 1245 NZ LYS A 73 -13.599 13.672 9.179 1.00 12.22 N ATOM 0 H LYS A 73 -9.353 9.713 7.657 1.00 60.13 H new ATOM 0 HA LYS A 73 -10.010 11.968 9.322 1.00 12.01 H new ATOM 0 HB2 LYS A 73 -10.718 8.994 9.525 1.00 34.44 H new ATOM 0 HB3 LYS A 73 -11.499 10.285 10.416 1.00 34.44 H new ATOM 0 HG2 LYS A 73 -11.586 9.864 7.395 1.00 24.34 H new ATOM 0 HG3 LYS A 73 -12.898 9.582 8.521 1.00 24.34 H new ATOM 0 HD2 LYS A 73 -11.652 12.315 7.944 1.00 33.43 H new ATOM 0 HD3 LYS A 73 -13.147 11.728 7.242 1.00 33.43 H new ATOM 0 HE2 LYS A 73 -14.226 11.667 9.446 1.00 54.30 H new ATOM 0 HE3 LYS A 73 -12.718 12.066 10.242 1.00 54.30 H new ATOM 0 HZ1 LYS A 73 -14.127 14.006 10.011 1.00 12.22 H new ATOM 0 HZ2 LYS A 73 -12.710 14.206 9.095 1.00 12.22 H new ATOM 0 HZ3 LYS A 73 -14.172 13.818 8.324 1.00 12.22 H new ATOM 1259 N LEU A 74 -8.008 9.605 10.496 1.00 31.02 N ATOM 1260 CA LEU A 74 -7.174 9.135 11.632 1.00 73.23 C ATOM 1261 C LEU A 74 -5.793 9.837 11.685 1.00 14.33 C ATOM 1262 O LEU A 74 -5.265 10.095 12.770 1.00 73.15 O ATOM 1263 CB LEU A 74 -6.990 7.595 11.531 1.00 15.23 C ATOM 1264 CG LEU A 74 -8.306 6.750 11.510 1.00 3.54 C ATOM 1265 CD1 LEU A 74 -8.005 5.244 11.328 1.00 51.32 C ATOM 1266 CD2 LEU A 74 -9.161 7.004 12.774 1.00 15.12 C ATOM 0 H LEU A 74 -7.934 9.014 9.668 1.00 31.02 H new ATOM 0 HA LEU A 74 -7.694 9.392 12.555 1.00 73.23 H new ATOM 0 HB2 LEU A 74 -6.425 7.375 10.625 1.00 15.23 H new ATOM 0 HB3 LEU A 74 -6.383 7.265 12.374 1.00 15.23 H new ATOM 0 HG LEU A 74 -8.890 7.075 10.649 1.00 3.54 H new ATOM 0 HD11 LEU A 74 -8.940 4.685 11.318 1.00 51.32 H new ATOM 0 HD12 LEU A 74 -7.479 5.089 10.386 1.00 51.32 H new ATOM 0 HD13 LEU A 74 -7.383 4.895 12.152 1.00 51.32 H new ATOM 0 HD21 LEU A 74 -10.068 6.401 12.727 1.00 15.12 H new ATOM 0 HD22 LEU A 74 -8.589 6.731 13.661 1.00 15.12 H new ATOM 0 HD23 LEU A 74 -9.429 8.059 12.826 1.00 15.12 H new ATOM 1278 N GLY A 75 -5.240 10.142 10.503 1.00 72.04 N ATOM 1279 CA GLY A 75 -3.922 10.773 10.365 1.00 74.11 C ATOM 1280 C GLY A 75 -2.761 9.792 10.542 1.00 51.14 C ATOM 1281 O GLY A 75 -2.213 9.662 11.641 1.00 61.02 O ATOM 0 H GLY A 75 -5.698 9.956 9.611 1.00 72.04 H new ATOM 0 HA2 GLY A 75 -3.850 11.237 9.381 1.00 74.11 H new ATOM 0 HA3 GLY A 75 -3.830 11.571 11.102 1.00 74.11 H new ATOM 1285 N TYR A 76 -2.402 9.077 9.455 1.00 75.04 N ATOM 1286 CA TYR A 76 -1.250 8.141 9.424 1.00 62.52 C ATOM 1287 C TYR A 76 -0.334 8.457 8.233 1.00 32.11 C ATOM 1288 O TYR A 76 -0.815 8.873 7.172 1.00 2.52 O ATOM 1289 CB TYR A 76 -1.740 6.668 9.329 1.00 71.01 C ATOM 1290 CG TYR A 76 -2.516 6.170 10.559 1.00 23.52 C ATOM 1291 CD1 TYR A 76 -1.993 6.335 11.839 1.00 45.12 C ATOM 1292 CD2 TYR A 76 -3.756 5.536 10.444 1.00 34.11 C ATOM 1293 CE1 TYR A 76 -2.666 5.895 12.954 1.00 20.42 C ATOM 1294 CE2 TYR A 76 -4.431 5.090 11.565 1.00 22.23 C ATOM 1295 CZ TYR A 76 -3.884 5.278 12.814 1.00 11.21 C ATOM 1296 OH TYR A 76 -4.562 4.862 13.934 1.00 11.35 O ATOM 0 H TYR A 76 -2.903 9.131 8.568 1.00 75.04 H new ATOM 0 HA TYR A 76 -0.689 8.267 10.350 1.00 62.52 H new ATOM 0 HB2 TYR A 76 -2.376 6.567 8.449 1.00 71.01 H new ATOM 0 HB3 TYR A 76 -0.876 6.021 9.174 1.00 71.01 H new ATOM 0 HD1 TYR A 76 -1.036 6.820 11.959 1.00 45.12 H new ATOM 0 HD2 TYR A 76 -4.193 5.393 9.467 1.00 34.11 H new ATOM 0 HE1 TYR A 76 -2.238 6.034 13.936 1.00 20.42 H new ATOM 0 HE2 TYR A 76 -5.385 4.595 11.461 1.00 22.23 H new ATOM 0 HH TYR A 76 -4.343 3.925 14.120 1.00 11.35 H new ATOM 1306 N LYS A 77 0.985 8.249 8.422 1.00 55.32 N ATOM 1307 CA LYS A 77 1.990 8.418 7.360 1.00 32.45 C ATOM 1308 C LYS A 77 1.942 7.225 6.392 1.00 25.02 C ATOM 1309 O LYS A 77 2.523 6.167 6.653 1.00 3.31 O ATOM 1310 CB LYS A 77 3.414 8.606 7.966 1.00 55.11 C ATOM 1311 CG LYS A 77 3.660 10.004 8.583 1.00 61.25 C ATOM 1312 CD LYS A 77 3.540 11.153 7.541 1.00 41.11 C ATOM 1313 CE LYS A 77 4.567 11.051 6.394 1.00 65.33 C ATOM 1314 NZ LYS A 77 5.958 11.267 6.868 1.00 54.54 N ATOM 0 H LYS A 77 1.380 7.959 9.316 1.00 55.32 H new ATOM 0 HA LYS A 77 1.756 9.321 6.797 1.00 32.45 H new ATOM 0 HB2 LYS A 77 3.573 7.849 8.734 1.00 55.11 H new ATOM 0 HB3 LYS A 77 4.155 8.430 7.186 1.00 55.11 H new ATOM 0 HG2 LYS A 77 2.943 10.172 9.387 1.00 61.25 H new ATOM 0 HG3 LYS A 77 4.653 10.029 9.031 1.00 61.25 H new ATOM 0 HD2 LYS A 77 2.535 11.148 7.120 1.00 41.11 H new ATOM 0 HD3 LYS A 77 3.668 12.109 8.049 1.00 41.11 H new ATOM 0 HE2 LYS A 77 4.492 10.069 5.927 1.00 65.33 H new ATOM 0 HE3 LYS A 77 4.327 11.788 5.627 1.00 65.33 H new ATOM 0 HZ1 LYS A 77 6.620 11.123 6.079 1.00 54.54 H new ATOM 0 HZ2 LYS A 77 6.055 12.238 7.228 1.00 54.54 H new ATOM 0 HZ3 LYS A 77 6.174 10.592 7.629 1.00 54.54 H new ATOM 1328 N VAL A 78 1.199 7.413 5.290 1.00 14.03 N ATOM 1329 CA VAL A 78 0.940 6.373 4.287 1.00 31.45 C ATOM 1330 C VAL A 78 1.744 6.634 3.013 1.00 55.21 C ATOM 1331 O VAL A 78 1.709 7.737 2.447 1.00 51.31 O ATOM 1332 CB VAL A 78 -0.594 6.278 3.969 1.00 45.32 C ATOM 1333 CG1 VAL A 78 -0.916 5.212 2.892 1.00 62.44 C ATOM 1334 CG2 VAL A 78 -1.365 5.999 5.268 1.00 21.42 C ATOM 0 H VAL A 78 0.756 8.305 5.069 1.00 14.03 H new ATOM 0 HA VAL A 78 1.261 5.416 4.699 1.00 31.45 H new ATOM 0 HB VAL A 78 -0.910 7.234 3.552 1.00 45.32 H new ATOM 0 HG11 VAL A 78 -1.991 5.190 2.712 1.00 62.44 H new ATOM 0 HG12 VAL A 78 -0.398 5.462 1.966 1.00 62.44 H new ATOM 0 HG13 VAL A 78 -0.586 4.233 3.239 1.00 62.44 H new ATOM 0 HG21 VAL A 78 -2.431 5.932 5.051 1.00 21.42 H new ATOM 0 HG22 VAL A 78 -1.023 5.058 5.699 1.00 21.42 H new ATOM 0 HG23 VAL A 78 -1.189 6.808 5.977 1.00 21.42 H new ATOM 1344 N PHE A 79 2.488 5.606 2.594 1.00 64.51 N ATOM 1345 CA PHE A 79 3.262 5.597 1.358 1.00 31.25 C ATOM 1346 C PHE A 79 2.647 4.532 0.450 1.00 41.45 C ATOM 1347 O PHE A 79 2.710 3.341 0.762 1.00 32.52 O ATOM 1348 CB PHE A 79 4.739 5.269 1.682 1.00 64.14 C ATOM 1349 CG PHE A 79 5.416 6.271 2.619 1.00 13.51 C ATOM 1350 CD1 PHE A 79 5.375 6.107 4.008 1.00 32.11 C ATOM 1351 CD2 PHE A 79 6.087 7.385 2.111 1.00 31.43 C ATOM 1352 CE1 PHE A 79 5.983 7.013 4.848 1.00 43.13 C ATOM 1353 CE2 PHE A 79 6.695 8.291 2.957 1.00 74.11 C ATOM 1354 CZ PHE A 79 6.642 8.106 4.321 1.00 42.50 C ATOM 0 H PHE A 79 2.568 4.737 3.122 1.00 64.51 H new ATOM 0 HA PHE A 79 3.239 6.567 0.861 1.00 31.25 H new ATOM 0 HB2 PHE A 79 4.788 4.278 2.132 1.00 64.14 H new ATOM 0 HB3 PHE A 79 5.302 5.224 0.750 1.00 64.14 H new ATOM 0 HD1 PHE A 79 4.858 5.257 4.428 1.00 32.11 H new ATOM 0 HD2 PHE A 79 6.131 7.540 1.043 1.00 31.43 H new ATOM 0 HE1 PHE A 79 5.944 6.869 5.918 1.00 43.13 H new ATOM 0 HE2 PHE A 79 7.213 9.146 2.549 1.00 74.11 H new ATOM 0 HZ PHE A 79 7.117 8.818 4.980 1.00 42.50 H new ATOM 1364 N LEU A 80 2.053 4.966 -0.665 1.00 13.32 N ATOM 1365 CA LEU A 80 1.286 4.088 -1.558 1.00 32.25 C ATOM 1366 C LEU A 80 2.103 3.707 -2.800 1.00 3.43 C ATOM 1367 O LEU A 80 2.747 4.549 -3.425 1.00 43.14 O ATOM 1368 CB LEU A 80 -0.058 4.764 -1.964 1.00 34.43 C ATOM 1369 CG LEU A 80 -0.951 3.987 -3.000 1.00 52.21 C ATOM 1370 CD1 LEU A 80 -1.262 2.548 -2.548 1.00 25.15 C ATOM 1371 CD2 LEU A 80 -2.251 4.759 -3.299 1.00 40.25 C ATOM 0 H LEU A 80 2.089 5.937 -0.976 1.00 13.32 H new ATOM 0 HA LEU A 80 1.061 3.169 -1.016 1.00 32.25 H new ATOM 0 HB2 LEU A 80 -0.646 4.924 -1.060 1.00 34.43 H new ATOM 0 HB3 LEU A 80 0.166 5.747 -2.377 1.00 34.43 H new ATOM 0 HG LEU A 80 -0.371 3.914 -3.920 1.00 52.21 H new ATOM 0 HD11 LEU A 80 -1.881 2.057 -3.299 1.00 25.15 H new ATOM 0 HD12 LEU A 80 -0.330 1.995 -2.427 1.00 25.15 H new ATOM 0 HD13 LEU A 80 -1.795 2.572 -1.598 1.00 25.15 H new ATOM 0 HD21 LEU A 80 -2.849 4.199 -4.018 1.00 40.25 H new ATOM 0 HD22 LEU A 80 -2.818 4.888 -2.377 1.00 40.25 H new ATOM 0 HD23 LEU A 80 -2.006 5.737 -3.714 1.00 40.25 H new ATOM 1383 N LEU A 81 2.058 2.414 -3.142 1.00 72.23 N ATOM 1384 CA LEU A 81 2.593 1.883 -4.386 1.00 73.42 C ATOM 1385 C LEU A 81 1.447 1.237 -5.159 1.00 22.41 C ATOM 1386 O LEU A 81 0.866 0.245 -4.709 1.00 11.21 O ATOM 1387 CB LEU A 81 3.718 0.843 -4.124 1.00 35.54 C ATOM 1388 CG LEU A 81 4.418 0.289 -5.405 1.00 12.32 C ATOM 1389 CD1 LEU A 81 4.933 1.435 -6.301 1.00 53.41 C ATOM 1390 CD2 LEU A 81 5.554 -0.698 -5.047 1.00 55.40 C ATOM 0 H LEU A 81 1.639 1.700 -2.546 1.00 72.23 H new ATOM 0 HA LEU A 81 3.034 2.695 -4.964 1.00 73.42 H new ATOM 0 HB2 LEU A 81 4.473 1.301 -3.485 1.00 35.54 H new ATOM 0 HB3 LEU A 81 3.295 0.006 -3.569 1.00 35.54 H new ATOM 0 HG LEU A 81 3.671 -0.265 -5.973 1.00 12.32 H new ATOM 0 HD11 LEU A 81 5.415 1.017 -7.185 1.00 53.41 H new ATOM 0 HD12 LEU A 81 4.096 2.062 -6.607 1.00 53.41 H new ATOM 0 HD13 LEU A 81 5.652 2.036 -5.745 1.00 53.41 H new ATOM 0 HD21 LEU A 81 6.020 -1.064 -5.962 1.00 55.40 H new ATOM 0 HD22 LEU A 81 6.301 -0.188 -4.439 1.00 55.40 H new ATOM 0 HD23 LEU A 81 5.143 -1.538 -4.488 1.00 55.40 H new ATOM 1402 N LEU A 82 1.096 1.828 -6.299 1.00 32.20 N ATOM 1403 CA LEU A 82 0.141 1.238 -7.233 1.00 51.12 C ATOM 1404 C LEU A 82 0.935 0.481 -8.310 1.00 62.41 C ATOM 1405 O LEU A 82 1.748 1.086 -9.026 1.00 75.54 O ATOM 1406 CB LEU A 82 -0.761 2.344 -7.856 1.00 45.14 C ATOM 1407 CG LEU A 82 -1.735 3.080 -6.882 1.00 1.11 C ATOM 1408 CD1 LEU A 82 -2.487 4.222 -7.601 1.00 14.11 C ATOM 1409 CD2 LEU A 82 -2.728 2.098 -6.226 1.00 24.40 C ATOM 0 H LEU A 82 1.466 2.729 -6.601 1.00 32.20 H new ATOM 0 HA LEU A 82 -0.521 0.542 -6.717 1.00 51.12 H new ATOM 0 HB2 LEU A 82 -0.115 3.089 -8.320 1.00 45.14 H new ATOM 0 HB3 LEU A 82 -1.352 1.893 -8.653 1.00 45.14 H new ATOM 0 HG LEU A 82 -1.130 3.520 -6.089 1.00 1.11 H new ATOM 0 HD11 LEU A 82 -3.157 4.716 -6.897 1.00 14.11 H new ATOM 0 HD12 LEU A 82 -1.768 4.945 -7.986 1.00 14.11 H new ATOM 0 HD13 LEU A 82 -3.067 3.812 -8.428 1.00 14.11 H new ATOM 0 HD21 LEU A 82 -3.390 2.645 -5.555 1.00 24.40 H new ATOM 0 HD22 LEU A 82 -3.319 1.608 -6.999 1.00 24.40 H new ATOM 0 HD23 LEU A 82 -2.177 1.347 -5.660 1.00 24.40 H new ATOM 1421 N GLN A 83 0.744 -0.844 -8.373 1.00 15.03 N ATOM 1422 CA GLN A 83 1.348 -1.698 -9.404 1.00 40.10 C ATOM 1423 C GLN A 83 0.279 -2.043 -10.432 1.00 21.25 C ATOM 1424 O GLN A 83 -0.759 -2.614 -10.080 1.00 44.04 O ATOM 1425 CB GLN A 83 1.930 -3.008 -8.801 1.00 54.51 C ATOM 1426 CG GLN A 83 2.695 -3.877 -9.830 1.00 11.52 C ATOM 1427 CD GLN A 83 3.153 -5.231 -9.291 1.00 14.34 C ATOM 1428 OE1 GLN A 83 3.404 -5.397 -8.097 1.00 1.35 O ATOM 1429 NE2 GLN A 83 3.271 -6.209 -10.178 1.00 15.21 N ATOM 0 H GLN A 83 0.164 -1.355 -7.708 1.00 15.03 H new ATOM 0 HA GLN A 83 2.172 -1.154 -9.866 1.00 40.10 H new ATOM 0 HB2 GLN A 83 2.602 -2.754 -7.981 1.00 54.51 H new ATOM 0 HB3 GLN A 83 1.116 -3.595 -8.375 1.00 54.51 H new ATOM 0 HG2 GLN A 83 2.055 -4.042 -10.697 1.00 11.52 H new ATOM 0 HG3 GLN A 83 3.567 -3.324 -10.179 1.00 11.52 H new ATOM 0 HE21 GLN A 83 3.055 -6.036 -11.160 1.00 15.21 H new ATOM 0 HE22 GLN A 83 3.578 -7.134 -9.879 1.00 15.21 H new ATOM 1438 N ASP A 84 0.533 -1.694 -11.687 1.00 53.41 N ATOM 1439 CA ASP A 84 -0.353 -2.018 -12.806 1.00 74.12 C ATOM 1440 C ASP A 84 0.494 -2.040 -14.080 1.00 21.12 C ATOM 1441 O ASP A 84 1.303 -1.135 -14.302 1.00 21.34 O ATOM 1442 CB ASP A 84 -1.500 -0.982 -12.907 1.00 41.12 C ATOM 1443 CG ASP A 84 -2.625 -1.392 -13.877 1.00 23.13 C ATOM 1444 OD1 ASP A 84 -2.450 -1.246 -15.100 1.00 4.42 O ATOM 1445 OD2 ASP A 84 -3.687 -1.873 -13.407 1.00 54.51 O ATOM 0 H ASP A 84 1.366 -1.174 -11.963 1.00 53.41 H new ATOM 0 HA ASP A 84 -0.818 -2.992 -12.658 1.00 74.12 H new ATOM 0 HB2 ASP A 84 -1.926 -0.828 -11.916 1.00 41.12 H new ATOM 0 HB3 ASP A 84 -1.086 -0.026 -13.228 1.00 41.12 H new ATOM 1450 N GLN A 85 0.303 -3.079 -14.902 1.00 4.34 N ATOM 1451 CA GLN A 85 1.152 -3.346 -16.080 1.00 44.12 C ATOM 1452 C GLN A 85 0.869 -2.339 -17.228 1.00 63.31 C ATOM 1453 O GLN A 85 1.696 -2.156 -18.131 1.00 63.11 O ATOM 1454 CB GLN A 85 0.944 -4.819 -16.533 1.00 53.14 C ATOM 1455 CG GLN A 85 1.998 -5.353 -17.525 1.00 14.52 C ATOM 1456 CD GLN A 85 1.847 -6.848 -17.834 1.00 63.13 C ATOM 1457 OE1 GLN A 85 0.739 -7.388 -17.852 1.00 64.11 O ATOM 1458 NE2 GLN A 85 2.962 -7.529 -18.063 1.00 24.21 N ATOM 0 H GLN A 85 -0.444 -3.762 -14.773 1.00 4.34 H new ATOM 0 HA GLN A 85 2.198 -3.207 -15.807 1.00 44.12 H new ATOM 0 HB2 GLN A 85 0.942 -5.458 -15.650 1.00 53.14 H new ATOM 0 HB3 GLN A 85 -0.041 -4.906 -16.991 1.00 53.14 H new ATOM 0 HG2 GLN A 85 1.928 -4.789 -18.455 1.00 14.52 H new ATOM 0 HG3 GLN A 85 2.993 -5.173 -17.117 1.00 14.52 H new ATOM 0 HE21 GLN A 85 3.864 -7.053 -18.041 1.00 24.21 H new ATOM 0 HE22 GLN A 85 2.918 -8.529 -18.261 1.00 24.21 H new ATOM 1467 N ASP A 86 -0.295 -1.678 -17.160 1.00 74.22 N ATOM 1468 CA ASP A 86 -0.721 -0.643 -18.122 1.00 35.31 C ATOM 1469 C ASP A 86 -0.594 0.732 -17.446 1.00 2.22 C ATOM 1470 O ASP A 86 -1.394 1.081 -16.570 1.00 24.40 O ATOM 1471 CB ASP A 86 -2.185 -0.903 -18.568 1.00 45.12 C ATOM 1472 CG ASP A 86 -2.707 0.117 -19.601 1.00 11.13 C ATOM 1473 OD1 ASP A 86 -2.512 -0.100 -20.817 1.00 24.13 O ATOM 1474 OD2 ASP A 86 -3.301 1.146 -19.208 1.00 60.33 O ATOM 0 H ASP A 86 -0.981 -1.848 -16.424 1.00 74.22 H new ATOM 0 HA ASP A 86 -0.090 -0.671 -19.010 1.00 35.31 H new ATOM 0 HB2 ASP A 86 -2.254 -1.905 -18.992 1.00 45.12 H new ATOM 0 HB3 ASP A 86 -2.832 -0.883 -17.691 1.00 45.12 H new ATOM 1479 N GLU A 87 0.425 1.506 -17.863 1.00 33.34 N ATOM 1480 CA GLU A 87 0.754 2.816 -17.259 1.00 21.04 C ATOM 1481 C GLU A 87 -0.367 3.854 -17.408 1.00 32.03 C ATOM 1482 O GLU A 87 -0.402 4.818 -16.649 1.00 1.24 O ATOM 1483 CB GLU A 87 2.039 3.416 -17.875 1.00 43.23 C ATOM 1484 CG GLU A 87 3.328 2.629 -17.625 1.00 52.14 C ATOM 1485 CD GLU A 87 4.546 3.376 -18.179 1.00 14.21 C ATOM 1486 OE1 GLU A 87 5.026 4.317 -17.505 1.00 34.42 O ATOM 1487 OE2 GLU A 87 5.000 3.059 -19.300 1.00 51.42 O ATOM 0 H GLU A 87 1.046 1.243 -18.629 1.00 33.34 H new ATOM 0 HA GLU A 87 0.897 2.606 -16.199 1.00 21.04 H new ATOM 0 HB2 GLU A 87 1.895 3.508 -18.951 1.00 43.23 H new ATOM 0 HB3 GLU A 87 2.170 4.425 -17.484 1.00 43.23 H new ATOM 0 HG2 GLU A 87 3.455 2.463 -16.555 1.00 52.14 H new ATOM 0 HG3 GLU A 87 3.255 1.647 -18.093 1.00 52.14 H new ATOM 1494 N ASN A 88 -1.253 3.663 -18.394 1.00 14.03 N ATOM 1495 CA ASN A 88 -2.290 4.655 -18.735 1.00 32.24 C ATOM 1496 C ASN A 88 -3.326 4.757 -17.599 1.00 52.30 C ATOM 1497 O ASN A 88 -3.433 5.797 -16.947 1.00 53.23 O ATOM 1498 CB ASN A 88 -2.974 4.290 -20.081 1.00 52.51 C ATOM 1499 CG ASN A 88 -1.976 4.067 -21.222 1.00 4.20 C ATOM 1500 OD1 ASN A 88 -1.589 5.003 -21.925 1.00 11.14 O ATOM 1501 ND2 ASN A 88 -1.547 2.826 -21.415 1.00 74.45 N ATOM 0 H ASN A 88 -1.275 2.825 -18.975 1.00 14.03 H new ATOM 0 HA ASN A 88 -1.816 5.629 -18.853 1.00 32.24 H new ATOM 0 HB2 ASN A 88 -3.570 3.387 -19.946 1.00 52.51 H new ATOM 0 HB3 ASN A 88 -3.663 5.088 -20.360 1.00 52.51 H new ATOM 0 HD21 ASN A 88 -0.880 2.627 -22.161 1.00 74.45 H new ATOM 0 HD22 ASN A 88 -1.884 2.071 -20.818 1.00 74.45 H new ATOM 1508 N GLU A 89 -4.000 3.627 -17.308 1.00 74.32 N ATOM 1509 CA GLU A 89 -5.041 3.547 -16.255 1.00 61.52 C ATOM 1510 C GLU A 89 -4.403 3.612 -14.854 1.00 34.41 C ATOM 1511 O GLU A 89 -5.043 4.037 -13.885 1.00 12.33 O ATOM 1512 CB GLU A 89 -5.878 2.251 -16.424 1.00 34.33 C ATOM 1513 CG GLU A 89 -5.050 0.955 -16.382 1.00 42.32 C ATOM 1514 CD GLU A 89 -5.858 -0.295 -16.755 1.00 24.34 C ATOM 1515 OE1 GLU A 89 -6.058 -0.547 -17.967 1.00 13.10 O ATOM 1516 OE2 GLU A 89 -6.312 -1.024 -15.847 1.00 13.41 O ATOM 0 H GLU A 89 -3.841 2.744 -17.793 1.00 74.32 H new ATOM 0 HA GLU A 89 -5.709 4.402 -16.359 1.00 61.52 H new ATOM 0 HB2 GLU A 89 -6.631 2.213 -15.637 1.00 34.33 H new ATOM 0 HB3 GLU A 89 -6.411 2.298 -17.374 1.00 34.33 H new ATOM 0 HG2 GLU A 89 -4.205 1.050 -17.064 1.00 42.32 H new ATOM 0 HG3 GLU A 89 -4.638 0.827 -15.381 1.00 42.32 H new ATOM 1523 N LEU A 90 -3.134 3.177 -14.773 1.00 74.40 N ATOM 1524 CA LEU A 90 -2.306 3.297 -13.566 1.00 63.14 C ATOM 1525 C LEU A 90 -2.116 4.775 -13.170 1.00 61.50 C ATOM 1526 O LEU A 90 -2.434 5.164 -12.047 1.00 63.44 O ATOM 1527 CB LEU A 90 -0.926 2.625 -13.817 1.00 24.13 C ATOM 1528 CG LEU A 90 0.142 2.729 -12.678 1.00 65.52 C ATOM 1529 CD1 LEU A 90 -0.402 2.193 -11.344 1.00 51.24 C ATOM 1530 CD2 LEU A 90 1.454 2.007 -13.079 1.00 3.04 C ATOM 0 H LEU A 90 -2.652 2.728 -15.552 1.00 74.40 H new ATOM 0 HA LEU A 90 -2.812 2.793 -12.743 1.00 63.14 H new ATOM 0 HB2 LEU A 90 -1.098 1.568 -14.022 1.00 24.13 H new ATOM 0 HB3 LEU A 90 -0.499 3.060 -14.721 1.00 24.13 H new ATOM 0 HG LEU A 90 0.370 3.785 -12.536 1.00 65.52 H new ATOM 0 HD11 LEU A 90 0.367 2.281 -10.576 1.00 51.24 H new ATOM 0 HD12 LEU A 90 -1.277 2.772 -11.049 1.00 51.24 H new ATOM 0 HD13 LEU A 90 -0.681 1.146 -11.459 1.00 51.24 H new ATOM 0 HD21 LEU A 90 2.179 2.094 -12.270 1.00 3.04 H new ATOM 0 HD22 LEU A 90 1.247 0.954 -13.268 1.00 3.04 H new ATOM 0 HD23 LEU A 90 1.860 2.465 -13.981 1.00 3.04 H new ATOM 1542 N GLU A 91 -1.646 5.585 -14.135 1.00 13.34 N ATOM 1543 CA GLU A 91 -1.234 6.980 -13.903 1.00 71.31 C ATOM 1544 C GLU A 91 -2.448 7.874 -13.627 1.00 51.14 C ATOM 1545 O GLU A 91 -2.388 8.743 -12.754 1.00 30.13 O ATOM 1546 CB GLU A 91 -0.435 7.503 -15.121 1.00 51.41 C ATOM 1547 CG GLU A 91 0.105 8.935 -14.979 1.00 12.50 C ATOM 1548 CD GLU A 91 1.006 9.322 -16.156 1.00 75.33 C ATOM 1549 OE1 GLU A 91 0.480 9.760 -17.199 1.00 11.14 O ATOM 1550 OE2 GLU A 91 2.245 9.147 -16.055 1.00 4.24 O ATOM 0 H GLU A 91 -1.541 5.287 -15.105 1.00 13.34 H new ATOM 0 HA GLU A 91 -0.593 7.010 -13.022 1.00 71.31 H new ATOM 0 HB2 GLU A 91 0.404 6.831 -15.302 1.00 51.41 H new ATOM 0 HB3 GLU A 91 -1.075 7.458 -16.002 1.00 51.41 H new ATOM 0 HG2 GLU A 91 -0.729 9.633 -14.915 1.00 12.50 H new ATOM 0 HG3 GLU A 91 0.666 9.022 -14.048 1.00 12.50 H new ATOM 1557 N GLU A 92 -3.538 7.646 -14.387 1.00 23.24 N ATOM 1558 CA GLU A 92 -4.832 8.334 -14.188 1.00 42.34 C ATOM 1559 C GLU A 92 -5.333 8.186 -12.742 1.00 71.03 C ATOM 1560 O GLU A 92 -5.757 9.156 -12.131 1.00 35.44 O ATOM 1561 CB GLU A 92 -5.894 7.794 -15.183 1.00 4.34 C ATOM 1562 CG GLU A 92 -5.576 8.101 -16.655 1.00 73.45 C ATOM 1563 CD GLU A 92 -6.595 7.502 -17.634 1.00 3.24 C ATOM 1564 OE1 GLU A 92 -6.664 6.265 -17.745 1.00 23.23 O ATOM 1565 OE2 GLU A 92 -7.329 8.264 -18.303 1.00 14.23 O ATOM 0 H GLU A 92 -3.547 6.978 -15.158 1.00 23.24 H new ATOM 0 HA GLU A 92 -4.674 9.395 -14.380 1.00 42.34 H new ATOM 0 HB2 GLU A 92 -5.981 6.715 -15.057 1.00 4.34 H new ATOM 0 HB3 GLU A 92 -6.864 8.223 -14.933 1.00 4.34 H new ATOM 0 HG2 GLU A 92 -5.541 9.182 -16.794 1.00 73.45 H new ATOM 0 HG3 GLU A 92 -4.584 7.716 -16.893 1.00 73.45 H new ATOM 1572 N PHE A 93 -5.237 6.967 -12.203 1.00 21.31 N ATOM 1573 CA PHE A 93 -5.689 6.648 -10.833 1.00 24.21 C ATOM 1574 C PHE A 93 -4.679 7.177 -9.782 1.00 21.42 C ATOM 1575 O PHE A 93 -5.071 7.651 -8.704 1.00 1.41 O ATOM 1576 CB PHE A 93 -5.871 5.115 -10.714 1.00 41.00 C ATOM 1577 CG PHE A 93 -6.555 4.630 -9.437 1.00 4.45 C ATOM 1578 CD1 PHE A 93 -7.817 5.109 -9.080 1.00 23.10 C ATOM 1579 CD2 PHE A 93 -5.951 3.688 -8.605 1.00 12.40 C ATOM 1580 CE1 PHE A 93 -8.450 4.656 -7.939 1.00 22.10 C ATOM 1581 CE2 PHE A 93 -6.585 3.239 -7.463 1.00 34.40 C ATOM 1582 CZ PHE A 93 -7.831 3.726 -7.127 1.00 75.41 C ATOM 0 H PHE A 93 -4.844 6.168 -12.700 1.00 21.31 H new ATOM 0 HA PHE A 93 -6.642 7.139 -10.637 1.00 24.21 H new ATOM 0 HB2 PHE A 93 -6.450 4.768 -11.570 1.00 41.00 H new ATOM 0 HB3 PHE A 93 -4.890 4.644 -10.781 1.00 41.00 H new ATOM 0 HD1 PHE A 93 -8.305 5.843 -9.704 1.00 23.10 H new ATOM 0 HD2 PHE A 93 -4.974 3.304 -8.857 1.00 12.40 H new ATOM 0 HE1 PHE A 93 -9.430 5.029 -7.682 1.00 22.10 H new ATOM 0 HE2 PHE A 93 -6.105 2.506 -6.832 1.00 34.40 H new ATOM 0 HZ PHE A 93 -8.322 3.380 -6.229 1.00 75.41 H new ATOM 1592 N LYS A 94 -3.387 7.119 -10.157 1.00 10.05 N ATOM 1593 CA LYS A 94 -2.232 7.491 -9.303 1.00 71.33 C ATOM 1594 C LYS A 94 -2.309 8.972 -8.916 1.00 61.22 C ATOM 1595 O LYS A 94 -2.243 9.315 -7.738 1.00 72.22 O ATOM 1596 CB LYS A 94 -0.905 7.154 -10.080 1.00 2.42 C ATOM 1597 CG LYS A 94 0.454 7.329 -9.333 1.00 11.20 C ATOM 1598 CD LYS A 94 1.010 8.777 -9.278 1.00 21.23 C ATOM 1599 CE LYS A 94 1.232 9.392 -10.670 1.00 64.21 C ATOM 1600 NZ LYS A 94 1.895 10.725 -10.590 1.00 21.23 N ATOM 0 H LYS A 94 -3.105 6.805 -11.086 1.00 10.05 H new ATOM 0 HA LYS A 94 -2.248 6.921 -8.374 1.00 71.33 H new ATOM 0 HB2 LYS A 94 -0.969 6.119 -10.415 1.00 2.42 H new ATOM 0 HB3 LYS A 94 -0.876 7.777 -10.974 1.00 2.42 H new ATOM 0 HG2 LYS A 94 0.336 6.966 -8.312 1.00 11.20 H new ATOM 0 HG3 LYS A 94 1.197 6.692 -9.814 1.00 11.20 H new ATOM 0 HD2 LYS A 94 0.318 9.404 -8.717 1.00 21.23 H new ATOM 0 HD3 LYS A 94 1.954 8.777 -8.733 1.00 21.23 H new ATOM 0 HE2 LYS A 94 1.843 8.718 -11.271 1.00 64.21 H new ATOM 0 HE3 LYS A 94 0.274 9.493 -11.179 1.00 64.21 H new ATOM 0 HZ1 LYS A 94 2.608 10.804 -11.343 1.00 21.23 H new ATOM 0 HZ2 LYS A 94 1.183 11.474 -10.707 1.00 21.23 H new ATOM 0 HZ3 LYS A 94 2.357 10.828 -9.664 1.00 21.23 H new ATOM 1614 N ARG A 95 -2.488 9.824 -9.942 1.00 30.44 N ATOM 1615 CA ARG A 95 -2.479 11.295 -9.805 1.00 40.10 C ATOM 1616 C ARG A 95 -3.650 11.818 -8.952 1.00 54.31 C ATOM 1617 O ARG A 95 -3.518 12.856 -8.296 1.00 15.15 O ATOM 1618 CB ARG A 95 -2.486 11.959 -11.208 1.00 21.42 C ATOM 1619 CG ARG A 95 -3.693 11.581 -12.092 1.00 13.11 C ATOM 1620 CD ARG A 95 -3.663 12.238 -13.484 1.00 43.34 C ATOM 1621 NE ARG A 95 -3.850 13.693 -13.404 1.00 23.23 N ATOM 1622 CZ ARG A 95 -3.603 14.566 -14.389 1.00 24.00 C ATOM 1623 NH1 ARG A 95 -3.144 14.164 -15.579 1.00 73.02 N ATOM 1624 NH2 ARG A 95 -3.832 15.853 -14.175 1.00 14.33 N ATOM 0 H ARG A 95 -2.645 9.509 -10.899 1.00 30.44 H new ATOM 0 HA ARG A 95 -1.564 11.566 -9.279 1.00 40.10 H new ATOM 0 HB2 ARG A 95 -2.469 13.042 -11.083 1.00 21.42 H new ATOM 0 HB3 ARG A 95 -1.570 11.684 -11.730 1.00 21.42 H new ATOM 0 HG2 ARG A 95 -3.722 10.498 -12.211 1.00 13.11 H new ATOM 0 HG3 ARG A 95 -4.612 11.870 -11.582 1.00 13.11 H new ATOM 0 HD2 ARG A 95 -2.711 12.020 -13.969 1.00 43.34 H new ATOM 0 HD3 ARG A 95 -4.445 11.805 -14.108 1.00 43.34 H new ATOM 0 HE ARG A 95 -4.198 14.071 -12.523 1.00 23.23 H new ATOM 0 HH11 ARG A 95 -2.974 13.173 -15.752 1.00 73.02 H new ATOM 0 HH12 ARG A 95 -2.963 14.848 -16.314 1.00 73.02 H new ATOM 0 HH21 ARG A 95 -4.190 16.164 -13.272 1.00 14.33 H new ATOM 0 HH22 ARG A 95 -3.650 16.533 -14.913 1.00 14.33 H new ATOM 1638 N LYS A 96 -4.780 11.088 -8.966 1.00 70.04 N ATOM 1639 CA LYS A 96 -5.972 11.423 -8.157 1.00 51.55 C ATOM 1640 C LYS A 96 -5.645 11.288 -6.655 1.00 64.33 C ATOM 1641 O LYS A 96 -5.893 12.201 -5.861 1.00 55.44 O ATOM 1642 CB LYS A 96 -7.163 10.496 -8.548 1.00 13.11 C ATOM 1643 CG LYS A 96 -7.569 10.581 -10.037 1.00 61.53 C ATOM 1644 CD LYS A 96 -8.740 9.636 -10.416 1.00 60.14 C ATOM 1645 CE LYS A 96 -8.976 9.551 -11.939 1.00 21.15 C ATOM 1646 NZ LYS A 96 -9.294 10.860 -12.561 1.00 62.31 N ATOM 0 H LYS A 96 -4.895 10.250 -9.536 1.00 70.04 H new ATOM 0 HA LYS A 96 -6.260 12.455 -8.356 1.00 51.55 H new ATOM 0 HB2 LYS A 96 -6.899 9.465 -8.313 1.00 13.11 H new ATOM 0 HB3 LYS A 96 -8.025 10.752 -7.933 1.00 13.11 H new ATOM 0 HG2 LYS A 96 -7.852 11.608 -10.270 1.00 61.53 H new ATOM 0 HG3 LYS A 96 -6.704 10.340 -10.655 1.00 61.53 H new ATOM 0 HD2 LYS A 96 -8.534 8.638 -10.029 1.00 60.14 H new ATOM 0 HD3 LYS A 96 -9.652 9.984 -9.931 1.00 60.14 H new ATOM 0 HE2 LYS A 96 -8.086 9.138 -12.414 1.00 21.15 H new ATOM 0 HE3 LYS A 96 -9.793 8.857 -12.134 1.00 21.15 H new ATOM 0 HZ1 LYS A 96 -9.441 10.732 -13.583 1.00 62.31 H new ATOM 0 HZ2 LYS A 96 -10.159 11.247 -12.133 1.00 62.31 H new ATOM 0 HZ3 LYS A 96 -8.505 11.520 -12.404 1.00 62.31 H new ATOM 1660 N ILE A 97 -5.034 10.148 -6.308 1.00 44.33 N ATOM 1661 CA ILE A 97 -4.646 9.816 -4.924 1.00 54.42 C ATOM 1662 C ILE A 97 -3.435 10.665 -4.465 1.00 34.25 C ATOM 1663 O ILE A 97 -3.305 11.031 -3.288 1.00 51.44 O ATOM 1664 CB ILE A 97 -4.323 8.289 -4.808 1.00 40.30 C ATOM 1665 CG1 ILE A 97 -5.544 7.437 -5.289 1.00 11.32 C ATOM 1666 CG2 ILE A 97 -3.927 7.929 -3.363 1.00 43.01 C ATOM 1667 CD1 ILE A 97 -5.279 5.949 -5.372 1.00 3.13 C ATOM 0 H ILE A 97 -4.792 9.422 -6.982 1.00 44.33 H new ATOM 0 HA ILE A 97 -5.484 10.050 -4.268 1.00 54.42 H new ATOM 0 HB ILE A 97 -3.476 8.060 -5.454 1.00 40.30 H new ATOM 0 HG12 ILE A 97 -6.379 7.607 -4.610 1.00 11.32 H new ATOM 0 HG13 ILE A 97 -5.855 7.793 -6.271 1.00 11.32 H new ATOM 0 HG21 ILE A 97 -3.706 6.863 -3.301 1.00 43.01 H new ATOM 0 HG22 ILE A 97 -3.045 8.500 -3.075 1.00 43.01 H new ATOM 0 HG23 ILE A 97 -4.750 8.168 -2.690 1.00 43.01 H new ATOM 0 HD11 ILE A 97 -6.179 5.438 -5.713 1.00 3.13 H new ATOM 0 HD12 ILE A 97 -4.467 5.763 -6.075 1.00 3.13 H new ATOM 0 HD13 ILE A 97 -5.000 5.574 -4.387 1.00 3.13 H new ATOM 1679 N GLU A 98 -2.577 10.993 -5.431 1.00 74.14 N ATOM 1680 CA GLU A 98 -1.403 11.852 -5.231 1.00 43.23 C ATOM 1681 C GLU A 98 -1.859 13.305 -4.928 1.00 21.04 C ATOM 1682 O GLU A 98 -1.208 14.024 -4.164 1.00 12.41 O ATOM 1683 CB GLU A 98 -0.517 11.768 -6.502 1.00 72.11 C ATOM 1684 CG GLU A 98 0.790 12.567 -6.477 1.00 21.00 C ATOM 1685 CD GLU A 98 1.591 12.388 -7.778 1.00 0.55 C ATOM 1686 OE1 GLU A 98 1.199 12.986 -8.809 1.00 52.04 O ATOM 1687 OE2 GLU A 98 2.586 11.618 -7.790 1.00 73.11 O ATOM 0 H GLU A 98 -2.677 10.665 -6.392 1.00 74.14 H new ATOM 0 HA GLU A 98 -0.816 11.518 -4.376 1.00 43.23 H new ATOM 0 HB2 GLU A 98 -0.273 10.721 -6.680 1.00 72.11 H new ATOM 0 HB3 GLU A 98 -1.108 12.107 -7.353 1.00 72.11 H new ATOM 0 HG2 GLU A 98 0.568 13.624 -6.329 1.00 21.00 H new ATOM 0 HG3 GLU A 98 1.396 12.247 -5.629 1.00 21.00 H new ATOM 1694 N SER A 99 -3.028 13.686 -5.496 1.00 73.41 N ATOM 1695 CA SER A 99 -3.656 15.011 -5.291 1.00 44.32 C ATOM 1696 C SER A 99 -4.404 15.075 -3.936 1.00 3.23 C ATOM 1697 O SER A 99 -4.667 16.167 -3.417 1.00 53.52 O ATOM 1698 CB SER A 99 -4.636 15.315 -6.455 1.00 53.11 C ATOM 1699 OG SER A 99 -5.169 16.630 -6.370 1.00 32.45 O ATOM 0 H SER A 99 -3.565 13.077 -6.114 1.00 73.41 H new ATOM 0 HA SER A 99 -2.867 15.763 -5.275 1.00 44.32 H new ATOM 0 HB2 SER A 99 -4.118 15.194 -7.406 1.00 53.11 H new ATOM 0 HB3 SER A 99 -5.451 14.591 -6.442 1.00 53.11 H new ATOM 0 HG SER A 99 -5.780 16.784 -7.120 1.00 32.45 H new ATOM 1705 N GLN A 100 -4.771 13.891 -3.396 1.00 21.45 N ATOM 1706 CA GLN A 100 -5.366 13.763 -2.042 1.00 53.41 C ATOM 1707 C GLN A 100 -4.320 14.087 -0.947 1.00 22.35 C ATOM 1708 O GLN A 100 -4.677 14.501 0.156 1.00 13.54 O ATOM 1709 CB GLN A 100 -5.915 12.326 -1.822 1.00 34.42 C ATOM 1710 CG GLN A 100 -7.072 11.911 -2.752 1.00 75.12 C ATOM 1711 CD GLN A 100 -7.468 10.434 -2.608 1.00 2.01 C ATOM 1712 OE1 GLN A 100 -7.324 9.831 -1.540 1.00 44.33 O ATOM 1713 NE2 GLN A 100 -7.970 9.839 -3.685 1.00 74.14 N ATOM 0 H GLN A 100 -4.665 13.000 -3.882 1.00 21.45 H new ATOM 0 HA GLN A 100 -6.186 14.477 -1.970 1.00 53.41 H new ATOM 0 HB2 GLN A 100 -5.096 11.619 -1.951 1.00 34.42 H new ATOM 0 HB3 GLN A 100 -6.252 12.238 -0.789 1.00 34.42 H new ATOM 0 HG2 GLN A 100 -7.940 12.535 -2.541 1.00 75.12 H new ATOM 0 HG3 GLN A 100 -6.785 12.104 -3.786 1.00 75.12 H new ATOM 0 HE21 GLN A 100 -8.077 10.363 -4.554 1.00 74.14 H new ATOM 0 HE22 GLN A 100 -8.248 8.859 -3.643 1.00 74.14 H new ATOM 1722 N GLY A 101 -3.031 13.871 -1.275 1.00 21.12 N ATOM 1723 CA GLY A 101 -1.920 14.123 -0.344 1.00 72.14 C ATOM 1724 C GLY A 101 -1.226 12.834 0.086 1.00 24.22 C ATOM 1725 O GLY A 101 -0.822 12.691 1.245 1.00 52.55 O ATOM 0 H GLY A 101 -2.735 13.520 -2.186 1.00 21.12 H new ATOM 0 HA2 GLY A 101 -1.194 14.784 -0.817 1.00 72.14 H new ATOM 0 HA3 GLY A 101 -2.297 14.642 0.537 1.00 72.14 H new ATOM 1729 N TYR A 102 -1.104 11.883 -0.853 1.00 31.15 N ATOM 1730 CA TYR A 102 -0.402 10.603 -0.628 1.00 55.14 C ATOM 1731 C TYR A 102 0.812 10.518 -1.546 1.00 62.50 C ATOM 1732 O TYR A 102 0.736 10.906 -2.721 1.00 14.24 O ATOM 1733 CB TYR A 102 -1.352 9.401 -0.879 1.00 2.04 C ATOM 1734 CG TYR A 102 -2.475 9.299 0.157 1.00 72.32 C ATOM 1735 CD1 TYR A 102 -2.239 8.723 1.407 1.00 15.24 C ATOM 1736 CD2 TYR A 102 -3.755 9.792 -0.103 1.00 63.21 C ATOM 1737 CE1 TYR A 102 -3.232 8.666 2.364 1.00 72.23 C ATOM 1738 CE2 TYR A 102 -4.751 9.726 0.850 1.00 32.30 C ATOM 1739 CZ TYR A 102 -4.484 9.158 2.078 1.00 34.41 C ATOM 1740 OH TYR A 102 -5.467 9.111 3.035 1.00 70.31 O ATOM 0 H TYR A 102 -1.489 11.977 -1.793 1.00 31.15 H new ATOM 0 HA TYR A 102 -0.073 10.562 0.410 1.00 55.14 H new ATOM 0 HB2 TYR A 102 -1.790 9.492 -1.873 1.00 2.04 H new ATOM 0 HB3 TYR A 102 -0.772 8.478 -0.870 1.00 2.04 H new ATOM 0 HD1 TYR A 102 -1.264 8.316 1.629 1.00 15.24 H new ATOM 0 HD2 TYR A 102 -3.969 10.232 -1.066 1.00 63.21 H new ATOM 0 HE1 TYR A 102 -3.027 8.237 3.334 1.00 72.23 H new ATOM 0 HE2 TYR A 102 -5.734 10.117 0.635 1.00 32.30 H new ATOM 0 HH TYR A 102 -6.021 9.917 2.974 1.00 70.31 H new ATOM 1750 N GLU A 103 1.938 10.038 -0.992 1.00 44.25 N ATOM 1751 CA GLU A 103 3.138 9.738 -1.772 1.00 62.52 C ATOM 1752 C GLU A 103 2.904 8.429 -2.545 1.00 35.43 C ATOM 1753 O GLU A 103 3.048 7.338 -1.990 1.00 63.01 O ATOM 1754 CB GLU A 103 4.397 9.657 -0.852 1.00 73.31 C ATOM 1755 CG GLU A 103 5.709 9.243 -1.565 1.00 3.12 C ATOM 1756 CD GLU A 103 5.984 10.056 -2.846 1.00 21.14 C ATOM 1757 OE1 GLU A 103 6.429 11.220 -2.741 1.00 31.32 O ATOM 1758 OE2 GLU A 103 5.732 9.542 -3.959 1.00 50.22 O ATOM 0 H GLU A 103 2.036 9.850 0.006 1.00 44.25 H new ATOM 0 HA GLU A 103 3.329 10.540 -2.485 1.00 62.52 H new ATOM 0 HB2 GLU A 103 4.548 10.629 -0.383 1.00 73.31 H new ATOM 0 HB3 GLU A 103 4.197 8.945 -0.051 1.00 73.31 H new ATOM 0 HG2 GLU A 103 6.545 9.368 -0.876 1.00 3.12 H new ATOM 0 HG3 GLU A 103 5.660 8.184 -1.818 1.00 3.12 H new ATOM 1765 N VAL A 104 2.481 8.563 -3.817 1.00 10.10 N ATOM 1766 CA VAL A 104 2.132 7.424 -4.677 1.00 3.22 C ATOM 1767 C VAL A 104 3.147 7.306 -5.823 1.00 61.40 C ATOM 1768 O VAL A 104 3.373 8.274 -6.554 1.00 25.05 O ATOM 1769 CB VAL A 104 0.683 7.557 -5.289 1.00 25.12 C ATOM 1770 CG1 VAL A 104 0.235 6.221 -5.921 1.00 61.11 C ATOM 1771 CG2 VAL A 104 -0.340 8.047 -4.244 1.00 74.44 C ATOM 0 H VAL A 104 2.373 9.468 -4.275 1.00 10.10 H new ATOM 0 HA VAL A 104 2.154 6.532 -4.051 1.00 3.22 H new ATOM 0 HB VAL A 104 0.725 8.312 -6.074 1.00 25.12 H new ATOM 0 HG11 VAL A 104 -0.766 6.333 -6.337 1.00 61.11 H new ATOM 0 HG12 VAL A 104 0.929 5.943 -6.714 1.00 61.11 H new ATOM 0 HG13 VAL A 104 0.226 5.443 -5.158 1.00 61.11 H new ATOM 0 HG21 VAL A 104 -1.324 8.125 -4.707 1.00 74.44 H new ATOM 0 HG22 VAL A 104 -0.383 7.338 -3.417 1.00 74.44 H new ATOM 0 HG23 VAL A 104 -0.037 9.025 -3.869 1.00 74.44 H new ATOM 1781 N ARG A 105 3.755 6.121 -5.968 1.00 13.01 N ATOM 1782 CA ARG A 105 4.634 5.791 -7.111 1.00 74.34 C ATOM 1783 C ARG A 105 3.896 4.831 -8.071 1.00 22.25 C ATOM 1784 O ARG A 105 2.969 4.107 -7.670 1.00 61.00 O ATOM 1785 CB ARG A 105 5.981 5.151 -6.611 1.00 4.12 C ATOM 1786 CG ARG A 105 7.256 6.011 -6.809 1.00 44.31 C ATOM 1787 CD ARG A 105 7.226 7.364 -6.076 1.00 63.03 C ATOM 1788 NE ARG A 105 8.514 8.082 -6.219 1.00 33.44 N ATOM 1789 CZ ARG A 105 8.696 9.411 -6.104 1.00 42.14 C ATOM 1790 NH1 ARG A 105 7.685 10.230 -5.850 1.00 33.11 N ATOM 1791 NH2 ARG A 105 9.917 9.921 -6.213 1.00 13.45 N ATOM 0 H ARG A 105 3.655 5.359 -5.298 1.00 13.01 H new ATOM 0 HA ARG A 105 4.880 6.708 -7.646 1.00 74.34 H new ATOM 0 HB2 ARG A 105 5.881 4.924 -5.550 1.00 4.12 H new ATOM 0 HB3 ARG A 105 6.123 4.202 -7.128 1.00 4.12 H new ATOM 0 HG2 ARG A 105 8.120 5.443 -6.465 1.00 44.31 H new ATOM 0 HG3 ARG A 105 7.397 6.191 -7.875 1.00 44.31 H new ATOM 0 HD2 ARG A 105 6.419 7.978 -6.475 1.00 63.03 H new ATOM 0 HD3 ARG A 105 7.012 7.203 -5.019 1.00 63.03 H new ATOM 0 HE ARG A 105 9.339 7.518 -6.423 1.00 33.44 H new ATOM 0 HH11 ARG A 105 6.742 9.857 -5.737 1.00 33.11 H new ATOM 0 HH12 ARG A 105 7.850 11.233 -5.768 1.00 33.11 H new ATOM 0 HH21 ARG A 105 10.713 9.306 -6.383 1.00 13.45 H new ATOM 0 HH22 ARG A 105 10.059 10.927 -6.126 1.00 13.45 H new ATOM 1805 N LYS A 106 4.341 4.844 -9.331 1.00 5.13 N ATOM 1806 CA LYS A 106 3.918 3.894 -10.368 1.00 33.04 C ATOM 1807 C LYS A 106 4.938 2.753 -10.455 1.00 75.22 C ATOM 1808 O LYS A 106 6.108 2.927 -10.074 1.00 61.23 O ATOM 1809 CB LYS A 106 3.867 4.609 -11.746 1.00 41.01 C ATOM 1810 CG LYS A 106 2.811 5.724 -11.893 1.00 73.40 C ATOM 1811 CD LYS A 106 2.994 6.529 -13.210 1.00 13.44 C ATOM 1812 CE LYS A 106 2.983 5.652 -14.480 1.00 42.21 C ATOM 1813 NZ LYS A 106 3.479 6.397 -15.675 1.00 44.13 N ATOM 0 H LYS A 106 5.019 5.528 -9.667 1.00 5.13 H new ATOM 0 HA LYS A 106 2.932 3.505 -10.113 1.00 33.04 H new ATOM 0 HB2 LYS A 106 4.849 5.038 -11.947 1.00 41.01 H new ATOM 0 HB3 LYS A 106 3.683 3.859 -12.515 1.00 41.01 H new ATOM 0 HG2 LYS A 106 1.814 5.284 -11.873 1.00 73.40 H new ATOM 0 HG3 LYS A 106 2.878 6.401 -11.042 1.00 73.40 H new ATOM 0 HD2 LYS A 106 2.199 7.271 -13.285 1.00 13.44 H new ATOM 0 HD3 LYS A 106 3.937 7.074 -13.164 1.00 13.44 H new ATOM 0 HE2 LYS A 106 3.604 4.771 -14.318 1.00 42.21 H new ATOM 0 HE3 LYS A 106 1.969 5.298 -14.668 1.00 42.21 H new ATOM 0 HZ1 LYS A 106 3.472 5.768 -16.504 1.00 44.13 H new ATOM 0 HZ2 LYS A 106 2.862 7.214 -15.855 1.00 44.13 H new ATOM 0 HZ3 LYS A 106 4.449 6.728 -15.500 1.00 44.13 H new ATOM 1827 N VAL A 107 4.488 1.595 -10.966 1.00 25.11 N ATOM 1828 CA VAL A 107 5.369 0.464 -11.300 1.00 55.45 C ATOM 1829 C VAL A 107 4.643 -0.541 -12.213 1.00 1.04 C ATOM 1830 O VAL A 107 3.436 -0.769 -12.070 1.00 55.54 O ATOM 1831 CB VAL A 107 5.931 -0.256 -10.012 1.00 74.31 C ATOM 1832 CG1 VAL A 107 4.816 -0.757 -9.081 1.00 33.01 C ATOM 1833 CG2 VAL A 107 6.888 -1.395 -10.384 1.00 2.12 C ATOM 0 H VAL A 107 3.502 1.417 -11.159 1.00 25.11 H new ATOM 0 HA VAL A 107 6.224 0.872 -11.839 1.00 55.45 H new ATOM 0 HB VAL A 107 6.492 0.496 -9.457 1.00 74.31 H new ATOM 0 HG11 VAL A 107 5.259 -1.244 -8.212 1.00 33.01 H new ATOM 0 HG12 VAL A 107 4.208 0.087 -8.754 1.00 33.01 H new ATOM 0 HG13 VAL A 107 4.189 -1.470 -9.616 1.00 33.01 H new ATOM 0 HG21 VAL A 107 7.258 -1.871 -9.476 1.00 2.12 H new ATOM 0 HG22 VAL A 107 6.360 -2.131 -10.990 1.00 2.12 H new ATOM 0 HG23 VAL A 107 7.728 -0.994 -10.951 1.00 2.12 H new ATOM 1843 N THR A 108 5.399 -1.119 -13.167 1.00 71.10 N ATOM 1844 CA THR A 108 4.912 -2.166 -14.080 1.00 62.44 C ATOM 1845 C THR A 108 5.606 -3.512 -13.764 1.00 21.14 C ATOM 1846 O THR A 108 4.938 -4.545 -13.636 1.00 2.42 O ATOM 1847 CB THR A 108 5.170 -1.765 -15.577 1.00 13.13 C ATOM 1848 OG1 THR A 108 6.540 -1.358 -15.737 1.00 54.44 O ATOM 1849 CG2 THR A 108 4.248 -0.622 -16.046 1.00 42.23 C ATOM 0 H THR A 108 6.375 -0.868 -13.325 1.00 71.10 H new ATOM 0 HA THR A 108 3.837 -2.276 -13.934 1.00 62.44 H new ATOM 0 HB THR A 108 4.953 -2.641 -16.189 1.00 13.13 H new ATOM 0 HG1 THR A 108 7.116 -2.151 -15.764 1.00 54.44 H new ATOM 0 HG21 THR A 108 4.466 -0.382 -17.087 1.00 42.23 H new ATOM 0 HG22 THR A 108 3.207 -0.934 -15.956 1.00 42.23 H new ATOM 0 HG23 THR A 108 4.418 0.259 -15.428 1.00 42.23 H new ATOM 1857 N ASP A 109 6.949 -3.478 -13.593 1.00 43.31 N ATOM 1858 CA ASP A 109 7.787 -4.699 -13.469 1.00 23.41 C ATOM 1859 C ASP A 109 7.707 -5.289 -12.050 1.00 33.44 C ATOM 1860 O ASP A 109 7.541 -4.548 -11.080 1.00 2.24 O ATOM 1861 CB ASP A 109 9.262 -4.379 -13.833 1.00 54.12 C ATOM 1862 CG ASP A 109 9.446 -4.029 -15.316 1.00 52.22 C ATOM 1863 OD1 ASP A 109 9.255 -2.855 -15.689 1.00 53.12 O ATOM 1864 OD2 ASP A 109 9.766 -4.935 -16.117 1.00 15.24 O ATOM 0 H ASP A 109 7.481 -2.610 -13.537 1.00 43.31 H new ATOM 0 HA ASP A 109 7.401 -5.443 -14.166 1.00 23.41 H new ATOM 0 HB2 ASP A 109 9.610 -3.546 -13.222 1.00 54.12 H new ATOM 0 HB3 ASP A 109 9.887 -5.238 -13.587 1.00 54.12 H new ATOM 1869 N ASP A 110 7.857 -6.632 -11.949 1.00 73.42 N ATOM 1870 CA ASP A 110 7.728 -7.375 -10.672 1.00 65.40 C ATOM 1871 C ASP A 110 8.964 -7.162 -9.778 1.00 44.24 C ATOM 1872 O ASP A 110 8.833 -7.046 -8.557 1.00 35.32 O ATOM 1873 CB ASP A 110 7.482 -8.897 -10.915 1.00 0.55 C ATOM 1874 CG ASP A 110 8.696 -9.657 -11.489 1.00 22.14 C ATOM 1875 OD1 ASP A 110 8.898 -9.626 -12.718 1.00 44.30 O ATOM 1876 OD2 ASP A 110 9.455 -10.284 -10.703 1.00 50.24 O ATOM 0 H ASP A 110 8.070 -7.229 -12.748 1.00 73.42 H new ATOM 0 HA ASP A 110 6.857 -6.975 -10.153 1.00 65.40 H new ATOM 0 HB2 ASP A 110 7.192 -9.360 -9.972 1.00 0.55 H new ATOM 0 HB3 ASP A 110 6.641 -9.012 -11.599 1.00 0.55 H new ATOM 1881 N GLU A 111 10.167 -7.113 -10.392 1.00 44.12 N ATOM 1882 CA GLU A 111 11.416 -6.830 -9.652 1.00 32.03 C ATOM 1883 C GLU A 111 11.421 -5.368 -9.165 1.00 25.55 C ATOM 1884 O GLU A 111 11.833 -5.073 -8.039 1.00 22.53 O ATOM 1885 CB GLU A 111 12.676 -7.107 -10.531 1.00 62.31 C ATOM 1886 CG GLU A 111 12.808 -6.200 -11.776 1.00 64.44 C ATOM 1887 CD GLU A 111 14.152 -6.335 -12.509 1.00 43.11 C ATOM 1888 OE1 GLU A 111 15.144 -5.730 -12.052 1.00 12.14 O ATOM 1889 OE2 GLU A 111 14.218 -7.019 -13.545 1.00 13.32 O ATOM 0 H GLU A 111 10.299 -7.265 -11.392 1.00 44.12 H new ATOM 0 HA GLU A 111 11.455 -7.498 -8.791 1.00 32.03 H new ATOM 0 HB2 GLU A 111 13.566 -6.986 -9.914 1.00 62.31 H new ATOM 0 HB3 GLU A 111 12.653 -8.147 -10.857 1.00 62.31 H new ATOM 0 HG2 GLU A 111 12.002 -6.435 -12.471 1.00 64.44 H new ATOM 0 HG3 GLU A 111 12.674 -5.162 -11.472 1.00 64.44 H new ATOM 1896 N GLU A 112 10.910 -4.476 -10.039 1.00 41.02 N ATOM 1897 CA GLU A 112 10.847 -3.033 -9.802 1.00 2.40 C ATOM 1898 C GLU A 112 9.863 -2.731 -8.671 1.00 24.23 C ATOM 1899 O GLU A 112 10.114 -1.845 -7.862 1.00 62.14 O ATOM 1900 CB GLU A 112 10.446 -2.323 -11.116 1.00 25.41 C ATOM 1901 CG GLU A 112 10.422 -0.786 -11.072 1.00 4.51 C ATOM 1902 CD GLU A 112 10.013 -0.171 -12.423 1.00 54.51 C ATOM 1903 OE1 GLU A 112 8.832 -0.302 -12.814 1.00 52.03 O ATOM 1904 OE2 GLU A 112 10.862 0.448 -13.097 1.00 11.43 O ATOM 0 H GLU A 112 10.525 -4.751 -10.943 1.00 41.02 H new ATOM 0 HA GLU A 112 11.823 -2.659 -9.493 1.00 2.40 H new ATOM 0 HB2 GLU A 112 11.138 -2.633 -11.899 1.00 25.41 H new ATOM 0 HB3 GLU A 112 9.456 -2.674 -11.408 1.00 25.41 H new ATOM 0 HG2 GLU A 112 9.726 -0.457 -10.300 1.00 4.51 H new ATOM 0 HG3 GLU A 112 11.408 -0.417 -10.791 1.00 4.51 H new ATOM 1911 N ALA A 113 8.775 -3.529 -8.604 1.00 71.40 N ATOM 1912 CA ALA A 113 7.761 -3.427 -7.544 1.00 31.33 C ATOM 1913 C ALA A 113 8.417 -3.568 -6.171 1.00 30.03 C ATOM 1914 O ALA A 113 8.322 -2.667 -5.346 1.00 71.02 O ATOM 1915 CB ALA A 113 6.665 -4.482 -7.746 1.00 1.15 C ATOM 0 H ALA A 113 8.579 -4.261 -9.287 1.00 71.40 H new ATOM 0 HA ALA A 113 7.293 -2.444 -7.597 1.00 31.33 H new ATOM 0 HB1 ALA A 113 5.923 -4.392 -6.953 1.00 1.15 H new ATOM 0 HB2 ALA A 113 6.184 -4.327 -8.712 1.00 1.15 H new ATOM 0 HB3 ALA A 113 7.108 -5.477 -7.717 1.00 1.15 H new ATOM 1921 N LEU A 114 9.188 -4.656 -6.021 1.00 23.23 N ATOM 1922 CA LEU A 114 9.901 -5.003 -4.776 1.00 25.53 C ATOM 1923 C LEU A 114 10.899 -3.883 -4.377 1.00 14.34 C ATOM 1924 O LEU A 114 11.072 -3.575 -3.189 1.00 60.13 O ATOM 1925 CB LEU A 114 10.663 -6.342 -4.976 1.00 74.01 C ATOM 1926 CG LEU A 114 9.836 -7.563 -5.485 1.00 21.45 C ATOM 1927 CD1 LEU A 114 10.762 -8.762 -5.792 1.00 70.33 C ATOM 1928 CD2 LEU A 114 8.725 -7.952 -4.486 1.00 12.34 C ATOM 0 H LEU A 114 9.338 -5.331 -6.771 1.00 23.23 H new ATOM 0 HA LEU A 114 9.171 -5.109 -3.973 1.00 25.53 H new ATOM 0 HB2 LEU A 114 11.475 -6.166 -5.681 1.00 74.01 H new ATOM 0 HB3 LEU A 114 11.120 -6.616 -4.025 1.00 74.01 H new ATOM 0 HG LEU A 114 9.345 -7.270 -6.413 1.00 21.45 H new ATOM 0 HD11 LEU A 114 10.164 -9.602 -6.145 1.00 70.33 H new ATOM 0 HD12 LEU A 114 11.481 -8.479 -6.561 1.00 70.33 H new ATOM 0 HD13 LEU A 114 11.295 -9.051 -4.886 1.00 70.33 H new ATOM 0 HD21 LEU A 114 8.170 -8.806 -4.874 1.00 12.34 H new ATOM 0 HD22 LEU A 114 9.173 -8.215 -3.528 1.00 12.34 H new ATOM 0 HD23 LEU A 114 8.047 -7.110 -4.350 1.00 12.34 H new ATOM 1940 N LYS A 115 11.520 -3.269 -5.405 1.00 23.12 N ATOM 1941 CA LYS A 115 12.547 -2.227 -5.235 1.00 73.11 C ATOM 1942 C LYS A 115 11.945 -0.849 -4.894 1.00 24.42 C ATOM 1943 O LYS A 115 12.600 -0.041 -4.230 1.00 74.24 O ATOM 1944 CB LYS A 115 13.465 -2.156 -6.487 1.00 14.51 C ATOM 1945 CG LYS A 115 14.392 -3.386 -6.633 1.00 34.01 C ATOM 1946 CD LYS A 115 15.322 -3.315 -7.866 1.00 14.30 C ATOM 1947 CE LYS A 115 14.563 -3.381 -9.197 1.00 73.01 C ATOM 1948 NZ LYS A 115 15.491 -3.351 -10.360 1.00 33.54 N ATOM 0 H LYS A 115 11.320 -3.485 -6.381 1.00 23.12 H new ATOM 0 HA LYS A 115 13.156 -2.511 -4.377 1.00 73.11 H new ATOM 0 HB2 LYS A 115 12.845 -2.068 -7.379 1.00 14.51 H new ATOM 0 HB3 LYS A 115 14.075 -1.254 -6.432 1.00 14.51 H new ATOM 0 HG2 LYS A 115 15.001 -3.481 -5.734 1.00 34.01 H new ATOM 0 HG3 LYS A 115 13.781 -4.286 -6.700 1.00 34.01 H new ATOM 0 HD2 LYS A 115 15.896 -2.389 -7.828 1.00 14.30 H new ATOM 0 HD3 LYS A 115 16.038 -4.136 -7.822 1.00 14.30 H new ATOM 0 HE2 LYS A 115 13.966 -4.292 -9.231 1.00 73.01 H new ATOM 0 HE3 LYS A 115 13.869 -2.543 -9.263 1.00 73.01 H new ATOM 0 HZ1 LYS A 115 15.301 -2.505 -10.934 1.00 33.54 H new ATOM 0 HZ2 LYS A 115 16.473 -3.325 -10.020 1.00 33.54 H new ATOM 0 HZ3 LYS A 115 15.348 -4.202 -10.940 1.00 33.54 H new ATOM 1962 N ILE A 116 10.702 -0.582 -5.331 1.00 23.02 N ATOM 1963 CA ILE A 116 9.992 0.659 -4.964 1.00 53.14 C ATOM 1964 C ILE A 116 9.335 0.489 -3.566 1.00 25.11 C ATOM 1965 O ILE A 116 9.194 1.462 -2.823 1.00 12.35 O ATOM 1966 CB ILE A 116 8.934 1.100 -6.053 1.00 31.14 C ATOM 1967 CG1 ILE A 116 9.580 1.231 -7.479 1.00 24.51 C ATOM 1968 CG2 ILE A 116 8.256 2.431 -5.660 1.00 13.51 C ATOM 1969 CD1 ILE A 116 10.687 2.275 -7.622 1.00 42.35 C ATOM 0 H ILE A 116 10.168 -1.206 -5.937 1.00 23.02 H new ATOM 0 HA ILE A 116 10.725 1.464 -4.919 1.00 53.14 H new ATOM 0 HB ILE A 116 8.179 0.315 -6.095 1.00 31.14 H new ATOM 0 HG12 ILE A 116 9.986 0.260 -7.762 1.00 24.51 H new ATOM 0 HG13 ILE A 116 8.791 1.468 -8.193 1.00 24.51 H new ATOM 0 HG21 ILE A 116 7.533 2.711 -6.426 1.00 13.51 H new ATOM 0 HG22 ILE A 116 7.744 2.311 -4.705 1.00 13.51 H new ATOM 0 HG23 ILE A 116 9.011 3.212 -5.571 1.00 13.51 H new ATOM 0 HD11 ILE A 116 11.057 2.275 -8.647 1.00 42.35 H new ATOM 0 HD12 ILE A 116 10.291 3.261 -7.379 1.00 42.35 H new ATOM 0 HD13 ILE A 116 11.504 2.034 -6.942 1.00 42.35 H new ATOM 1981 N VAL A 117 8.978 -0.770 -3.202 1.00 73.45 N ATOM 1982 CA VAL A 117 8.518 -1.117 -1.834 1.00 31.13 C ATOM 1983 C VAL A 117 9.634 -0.803 -0.822 1.00 41.24 C ATOM 1984 O VAL A 117 9.406 -0.125 0.183 1.00 64.43 O ATOM 1985 CB VAL A 117 8.118 -2.645 -1.693 1.00 71.54 C ATOM 1986 CG1 VAL A 117 7.782 -3.025 -0.231 1.00 4.43 C ATOM 1987 CG2 VAL A 117 6.943 -3.019 -2.617 1.00 43.23 C ATOM 0 H VAL A 117 9.001 -1.564 -3.841 1.00 73.45 H new ATOM 0 HA VAL A 117 7.628 -0.519 -1.635 1.00 31.13 H new ATOM 0 HB VAL A 117 8.993 -3.217 -2.001 1.00 71.54 H new ATOM 0 HG11 VAL A 117 7.514 -4.080 -0.182 1.00 4.43 H new ATOM 0 HG12 VAL A 117 8.651 -2.842 0.401 1.00 4.43 H new ATOM 0 HG13 VAL A 117 6.945 -2.421 0.119 1.00 4.43 H new ATOM 0 HG21 VAL A 117 6.701 -4.074 -2.489 1.00 43.23 H new ATOM 0 HG22 VAL A 117 6.073 -2.414 -2.362 1.00 43.23 H new ATOM 0 HG23 VAL A 117 7.223 -2.834 -3.654 1.00 43.23 H new ATOM 1997 N ARG A 118 10.851 -1.294 -1.127 1.00 14.33 N ATOM 1998 CA ARG A 118 12.029 -1.102 -0.264 1.00 11.45 C ATOM 1999 C ARG A 118 12.530 0.360 -0.311 1.00 41.43 C ATOM 2000 O ARG A 118 13.265 0.789 0.580 1.00 34.14 O ATOM 2001 CB ARG A 118 13.144 -2.140 -0.604 1.00 71.15 C ATOM 2002 CG ARG A 118 13.984 -1.851 -1.865 1.00 54.11 C ATOM 2003 CD ARG A 118 14.719 -3.101 -2.404 1.00 25.15 C ATOM 2004 NE ARG A 118 15.573 -3.758 -1.395 1.00 64.45 N ATOM 2005 CZ ARG A 118 15.492 -5.052 -1.039 1.00 35.24 C ATOM 2006 NH1 ARG A 118 14.577 -5.856 -1.588 1.00 61.10 N ATOM 2007 NH2 ARG A 118 16.313 -5.534 -0.116 1.00 34.22 N ATOM 0 H ARG A 118 11.043 -1.831 -1.973 1.00 14.33 H new ATOM 0 HA ARG A 118 11.734 -1.288 0.769 1.00 11.45 H new ATOM 0 HB2 ARG A 118 13.819 -2.209 0.249 1.00 71.15 H new ATOM 0 HB3 ARG A 118 12.677 -3.118 -0.720 1.00 71.15 H new ATOM 0 HG2 ARG A 118 13.333 -1.455 -2.645 1.00 54.11 H new ATOM 0 HG3 ARG A 118 14.716 -1.076 -1.637 1.00 54.11 H new ATOM 0 HD2 ARG A 118 13.983 -3.817 -2.769 1.00 25.15 H new ATOM 0 HD3 ARG A 118 15.333 -2.813 -3.257 1.00 25.15 H new ATOM 0 HE ARG A 118 16.279 -3.186 -0.932 1.00 64.45 H new ATOM 0 HH11 ARG A 118 13.929 -5.490 -2.286 1.00 61.10 H new ATOM 0 HH12 ARG A 118 14.526 -6.836 -1.309 1.00 61.10 H new ATOM 0 HH21 ARG A 118 17.003 -4.924 0.322 1.00 34.22 H new ATOM 0 HH22 ARG A 118 16.254 -6.515 0.156 1.00 34.22 H new ATOM 2021 N GLU A 119 12.126 1.117 -1.357 1.00 43.11 N ATOM 2022 CA GLU A 119 12.325 2.573 -1.417 1.00 52.34 C ATOM 2023 C GLU A 119 11.432 3.258 -0.354 1.00 62.03 C ATOM 2024 O GLU A 119 11.897 4.117 0.389 1.00 3.44 O ATOM 2025 CB GLU A 119 12.010 3.116 -2.857 1.00 44.32 C ATOM 2026 CG GLU A 119 13.071 4.067 -3.448 1.00 64.32 C ATOM 2027 CD GLU A 119 13.283 5.372 -2.649 1.00 13.40 C ATOM 2028 OE1 GLU A 119 14.033 5.358 -1.643 1.00 2.53 O ATOM 2029 OE2 GLU A 119 12.720 6.424 -3.035 1.00 62.53 O ATOM 0 H GLU A 119 11.656 0.733 -2.176 1.00 43.11 H new ATOM 0 HA GLU A 119 13.368 2.804 -1.201 1.00 52.34 H new ATOM 0 HB2 GLU A 119 11.891 2.267 -3.530 1.00 44.32 H new ATOM 0 HB3 GLU A 119 11.053 3.637 -2.830 1.00 44.32 H new ATOM 0 HG2 GLU A 119 14.021 3.536 -3.510 1.00 64.32 H new ATOM 0 HG3 GLU A 119 12.782 4.324 -4.467 1.00 64.32 H new ATOM 2036 N PHE A 120 10.144 2.846 -0.292 1.00 25.53 N ATOM 2037 CA PHE A 120 9.181 3.333 0.728 1.00 32.44 C ATOM 2038 C PHE A 120 9.603 2.943 2.159 1.00 34.32 C ATOM 2039 O PHE A 120 9.378 3.707 3.104 1.00 51.45 O ATOM 2040 CB PHE A 120 7.741 2.828 0.423 1.00 71.14 C ATOM 2041 CG PHE A 120 7.097 3.488 -0.805 1.00 13.11 C ATOM 2042 CD1 PHE A 120 7.053 4.879 -0.918 1.00 62.33 C ATOM 2043 CD2 PHE A 120 6.526 2.736 -1.828 1.00 15.33 C ATOM 2044 CE1 PHE A 120 6.475 5.494 -2.011 1.00 53.40 C ATOM 2045 CE2 PHE A 120 5.947 3.358 -2.921 1.00 32.43 C ATOM 2046 CZ PHE A 120 5.918 4.735 -3.006 1.00 65.43 C ATOM 0 H PHE A 120 9.743 2.171 -0.943 1.00 25.53 H new ATOM 0 HA PHE A 120 9.185 4.422 0.674 1.00 32.44 H new ATOM 0 HB2 PHE A 120 7.770 1.749 0.270 1.00 71.14 H new ATOM 0 HB3 PHE A 120 7.111 3.010 1.293 1.00 71.14 H new ATOM 0 HD1 PHE A 120 7.480 5.487 -0.134 1.00 62.33 H new ATOM 0 HD2 PHE A 120 6.535 1.658 -1.768 1.00 15.33 H new ATOM 0 HE1 PHE A 120 6.462 6.572 -2.081 1.00 53.40 H new ATOM 0 HE2 PHE A 120 5.516 2.762 -3.712 1.00 32.43 H new ATOM 0 HZ PHE A 120 5.456 5.214 -3.857 1.00 65.43 H new ATOM 2056 N MET A 121 10.203 1.749 2.309 1.00 64.04 N ATOM 2057 CA MET A 121 10.754 1.285 3.598 1.00 25.31 C ATOM 2058 C MET A 121 12.033 2.064 3.982 1.00 10.01 C ATOM 2059 O MET A 121 12.312 2.248 5.168 1.00 74.31 O ATOM 2060 CB MET A 121 11.038 -0.239 3.577 1.00 2.24 C ATOM 2061 CG MET A 121 9.807 -1.127 3.336 1.00 53.30 C ATOM 2062 SD MET A 121 10.103 -2.854 3.784 1.00 71.12 S ATOM 2063 CE MET A 121 11.500 -3.301 2.752 1.00 24.33 C ATOM 0 H MET A 121 10.320 1.081 1.547 1.00 64.04 H new ATOM 0 HA MET A 121 9.996 1.481 4.357 1.00 25.31 H new ATOM 0 HB2 MET A 121 11.774 -0.445 2.800 1.00 2.24 H new ATOM 0 HB3 MET A 121 11.491 -0.522 4.527 1.00 2.24 H new ATOM 0 HG2 MET A 121 8.967 -0.743 3.915 1.00 53.30 H new ATOM 0 HG3 MET A 121 9.522 -1.071 2.285 1.00 53.30 H new ATOM 0 HE1 MET A 121 11.784 -4.334 2.952 1.00 24.33 H new ATOM 0 HE2 MET A 121 11.225 -3.197 1.702 1.00 24.33 H new ATOM 0 HE3 MET A 121 12.341 -2.644 2.974 1.00 24.33 H new ATOM 2073 N GLN A 122 12.803 2.502 2.964 1.00 61.32 N ATOM 2074 CA GLN A 122 13.986 3.379 3.147 1.00 75.43 C ATOM 2075 C GLN A 122 13.547 4.754 3.702 1.00 73.42 C ATOM 2076 O GLN A 122 14.207 5.326 4.577 1.00 2.35 O ATOM 2077 CB GLN A 122 14.745 3.531 1.792 1.00 12.54 C ATOM 2078 CG GLN A 122 16.018 4.411 1.816 1.00 2.31 C ATOM 2079 CD GLN A 122 17.142 3.895 2.720 1.00 21.22 C ATOM 2080 OE1 GLN A 122 17.307 2.691 2.915 1.00 44.20 O ATOM 2081 NE2 GLN A 122 17.934 4.807 3.272 1.00 31.45 N ATOM 0 H GLN A 122 12.624 2.259 1.990 1.00 61.32 H new ATOM 0 HA GLN A 122 14.665 2.927 3.870 1.00 75.43 H new ATOM 0 HB2 GLN A 122 15.022 2.537 1.442 1.00 12.54 H new ATOM 0 HB3 GLN A 122 14.055 3.947 1.058 1.00 12.54 H new ATOM 0 HG2 GLN A 122 16.401 4.499 0.799 1.00 2.31 H new ATOM 0 HG3 GLN A 122 15.742 5.414 2.140 1.00 2.31 H new ATOM 0 HE21 GLN A 122 17.773 5.798 3.092 1.00 31.45 H new ATOM 0 HE22 GLN A 122 18.703 4.516 3.876 1.00 31.45 H new ATOM 2090 N LYS A 123 12.399 5.255 3.194 1.00 50.41 N ATOM 2091 CA LYS A 123 11.780 6.517 3.662 1.00 12.34 C ATOM 2092 C LYS A 123 11.288 6.357 5.118 1.00 34.50 C ATOM 2093 O LYS A 123 11.503 7.226 5.973 1.00 42.34 O ATOM 2094 CB LYS A 123 10.569 6.898 2.758 1.00 21.43 C ATOM 2095 CG LYS A 123 10.878 6.985 1.250 1.00 21.43 C ATOM 2096 CD LYS A 123 9.611 7.249 0.399 1.00 74.05 C ATOM 2097 CE LYS A 123 9.869 7.123 -1.110 1.00 1.03 C ATOM 2098 NZ LYS A 123 10.907 8.063 -1.597 1.00 25.20 N ATOM 0 H LYS A 123 11.875 4.797 2.448 1.00 50.41 H new ATOM 0 HA LYS A 123 12.531 7.305 3.611 1.00 12.34 H new ATOM 0 HB2 LYS A 123 9.778 6.163 2.909 1.00 21.43 H new ATOM 0 HB3 LYS A 123 10.178 7.860 3.089 1.00 21.43 H new ATOM 0 HG2 LYS A 123 11.601 7.782 1.076 1.00 21.43 H new ATOM 0 HG3 LYS A 123 11.344 6.055 0.924 1.00 21.43 H new ATOM 0 HD2 LYS A 123 8.831 6.545 0.689 1.00 74.05 H new ATOM 0 HD3 LYS A 123 9.235 8.249 0.616 1.00 74.05 H new ATOM 0 HE2 LYS A 123 10.175 6.102 -1.337 1.00 1.03 H new ATOM 0 HE3 LYS A 123 8.939 7.305 -1.649 1.00 1.03 H new ATOM 0 HZ1 LYS A 123 10.492 8.702 -2.304 1.00 25.20 H new ATOM 0 HZ2 LYS A 123 11.273 8.620 -0.799 1.00 25.20 H new ATOM 0 HZ3 LYS A 123 11.686 7.526 -2.030 1.00 25.20 H new ATOM 2112 N ALA A 124 10.637 5.210 5.355 1.00 1.14 N ATOM 2113 CA ALA A 124 9.986 4.867 6.624 1.00 40.43 C ATOM 2114 C ALA A 124 10.997 4.652 7.764 1.00 40.14 C ATOM 2115 O ALA A 124 10.696 4.967 8.914 1.00 32.02 O ATOM 2116 CB ALA A 124 9.141 3.614 6.418 1.00 32.35 C ATOM 0 H ALA A 124 10.547 4.477 4.651 1.00 1.14 H new ATOM 0 HA ALA A 124 9.356 5.705 6.923 1.00 40.43 H new ATOM 0 HB1 ALA A 124 8.651 3.348 7.354 1.00 32.35 H new ATOM 0 HB2 ALA A 124 8.386 3.805 5.655 1.00 32.35 H new ATOM 0 HB3 ALA A 124 9.781 2.792 6.097 1.00 32.35 H new ATOM 2122 N GLY A 125 12.185 4.108 7.428 1.00 14.03 N ATOM 2123 CA GLY A 125 13.259 3.886 8.412 1.00 73.42 C ATOM 2124 C GLY A 125 13.742 5.167 9.087 1.00 23.11 C ATOM 2125 O GLY A 125 14.109 5.160 10.270 1.00 24.05 O ATOM 0 H GLY A 125 12.423 3.815 6.480 1.00 14.03 H new ATOM 0 HA2 GLY A 125 12.904 3.194 9.176 1.00 73.42 H new ATOM 0 HA3 GLY A 125 14.102 3.406 7.915 1.00 73.42 H new ATOM 2129 N SER A 126 13.711 6.273 8.323 1.00 44.34 N ATOM 2130 CA SER A 126 14.064 7.617 8.817 1.00 23.24 C ATOM 2131 C SER A 126 13.050 8.095 9.882 1.00 2.45 C ATOM 2132 O SER A 126 13.398 8.832 10.812 1.00 72.12 O ATOM 2133 CB SER A 126 14.078 8.590 7.624 1.00 33.52 C ATOM 2134 OG SER A 126 14.799 8.047 6.527 1.00 11.11 O ATOM 0 H SER A 126 13.439 6.260 7.340 1.00 44.34 H new ATOM 0 HA SER A 126 15.048 7.584 9.285 1.00 23.24 H new ATOM 0 HB2 SER A 126 13.055 8.809 7.318 1.00 33.52 H new ATOM 0 HB3 SER A 126 14.529 9.535 7.927 1.00 33.52 H new ATOM 0 HG SER A 126 14.791 8.684 5.783 1.00 11.11 H new ATOM 2140 N LEU A 127 11.792 7.639 9.709 1.00 3.45 N ATOM 2141 CA LEU A 127 10.647 8.027 10.552 1.00 52.34 C ATOM 2142 C LEU A 127 10.580 7.167 11.832 1.00 30.33 C ATOM 2143 O LEU A 127 10.174 7.662 12.887 1.00 32.24 O ATOM 2144 CB LEU A 127 9.328 7.902 9.734 1.00 5.13 C ATOM 2145 CG LEU A 127 9.274 8.722 8.406 1.00 44.21 C ATOM 2146 CD1 LEU A 127 7.948 8.483 7.659 1.00 34.34 C ATOM 2147 CD2 LEU A 127 9.505 10.227 8.663 1.00 63.10 C ATOM 0 H LEU A 127 11.542 6.982 8.970 1.00 3.45 H new ATOM 0 HA LEU A 127 10.778 9.064 10.861 1.00 52.34 H new ATOM 0 HB2 LEU A 127 9.168 6.850 9.497 1.00 5.13 H new ATOM 0 HB3 LEU A 127 8.498 8.216 10.367 1.00 5.13 H new ATOM 0 HG LEU A 127 10.085 8.369 7.769 1.00 44.21 H new ATOM 0 HD11 LEU A 127 7.939 9.067 6.738 1.00 34.34 H new ATOM 0 HD12 LEU A 127 7.852 7.424 7.418 1.00 34.34 H new ATOM 0 HD13 LEU A 127 7.114 8.789 8.291 1.00 34.34 H new ATOM 0 HD21 LEU A 127 9.461 10.768 7.718 1.00 63.10 H new ATOM 0 HD22 LEU A 127 8.733 10.604 9.334 1.00 63.10 H new ATOM 0 HD23 LEU A 127 10.484 10.372 9.119 1.00 63.10 H new ATOM 2159 N GLU A 128 10.978 5.878 11.715 1.00 53.05 N ATOM 2160 CA GLU A 128 11.009 4.925 12.854 1.00 50.41 C ATOM 2161 C GLU A 128 11.933 5.439 13.967 1.00 52.13 C ATOM 2162 O GLU A 128 11.602 5.382 15.158 1.00 62.53 O ATOM 2163 CB GLU A 128 11.469 3.519 12.400 1.00 55.23 C ATOM 2164 CG GLU A 128 10.565 2.854 11.349 1.00 52.53 C ATOM 2165 CD GLU A 128 10.992 1.412 11.028 1.00 62.43 C ATOM 2166 OE1 GLU A 128 12.155 1.208 10.609 1.00 52.14 O ATOM 2167 OE2 GLU A 128 10.195 0.478 11.243 1.00 1.14 O ATOM 0 H GLU A 128 11.286 5.469 10.833 1.00 53.05 H new ATOM 0 HA GLU A 128 9.993 4.847 13.242 1.00 50.41 H new ATOM 0 HB2 GLU A 128 12.478 3.595 11.995 1.00 55.23 H new ATOM 0 HB3 GLU A 128 11.524 2.870 13.274 1.00 55.23 H new ATOM 0 HG2 GLU A 128 9.536 2.853 11.709 1.00 52.53 H new ATOM 0 HG3 GLU A 128 10.582 3.446 10.434 1.00 52.53 H new ATOM 2174 N HIS A 129 13.096 5.929 13.540 1.00 2.44 N ATOM 2175 CA HIS A 129 14.026 6.668 14.394 1.00 14.41 C ATOM 2176 C HIS A 129 13.405 8.053 14.679 1.00 73.41 C ATOM 2177 O HIS A 129 13.396 8.915 13.795 1.00 35.23 O ATOM 2178 CB HIS A 129 15.389 6.778 13.663 1.00 71.21 C ATOM 2179 CG HIS A 129 16.514 7.346 14.480 1.00 33.24 C ATOM 2180 ND1 HIS A 129 17.262 6.585 15.352 1.00 13.34 N ATOM 2181 CD2 HIS A 129 17.040 8.591 14.530 1.00 3.22 C ATOM 2182 CE1 HIS A 129 18.195 7.337 15.901 1.00 1.13 C ATOM 2183 NE2 HIS A 129 18.082 8.557 15.417 1.00 42.40 N ATOM 0 H HIS A 129 13.423 5.823 12.580 1.00 2.44 H new ATOM 0 HA HIS A 129 14.199 6.163 15.344 1.00 14.41 H new ATOM 0 HB2 HIS A 129 15.678 5.785 13.318 1.00 71.21 H new ATOM 0 HB3 HIS A 129 15.257 7.398 12.776 1.00 71.21 H new ATOM 0 HD2 HIS A 129 16.701 9.452 13.973 1.00 3.22 H new ATOM 0 HE1 HIS A 129 18.927 7.009 16.624 1.00 1.13 H new ATOM 0 HE2 HIS A 129 18.676 9.349 15.664 1.00 42.40 H new ATOM 2192 N HIS A 130 12.825 8.214 15.896 1.00 11.31 N ATOM 2193 CA HIS A 130 12.015 9.401 16.271 1.00 62.34 C ATOM 2194 C HIS A 130 12.876 10.686 16.330 1.00 22.53 C ATOM 2195 O HIS A 130 13.380 11.082 17.394 1.00 73.41 O ATOM 2196 CB HIS A 130 11.267 9.163 17.621 1.00 20.14 C ATOM 2197 CG HIS A 130 10.240 10.217 17.974 1.00 1.13 C ATOM 2198 ND1 HIS A 130 9.903 10.544 19.275 1.00 21.14 N ATOM 2199 CD2 HIS A 130 9.451 10.989 17.188 1.00 34.44 C ATOM 2200 CE1 HIS A 130 8.962 11.468 19.267 1.00 41.04 C ATOM 2201 NE2 HIS A 130 8.673 11.750 18.015 1.00 61.15 N ATOM 0 H HIS A 130 12.906 7.525 16.644 1.00 11.31 H new ATOM 0 HA HIS A 130 11.268 9.547 15.491 1.00 62.34 H new ATOM 0 HB2 HIS A 130 10.771 8.193 17.579 1.00 20.14 H new ATOM 0 HB3 HIS A 130 12.003 9.110 18.423 1.00 20.14 H new ATOM 0 HD2 HIS A 130 9.439 11.001 16.108 1.00 34.44 H new ATOM 0 HE1 HIS A 130 8.507 11.916 20.138 1.00 41.04 H new ATOM 0 HE2 HIS A 130 7.977 12.430 17.709 1.00 61.15 H new ATOM 2210 N HIS A 131 13.054 11.292 15.151 1.00 45.10 N ATOM 2211 CA HIS A 131 13.848 12.502 14.940 1.00 33.14 C ATOM 2212 C HIS A 131 13.675 12.920 13.476 1.00 2.23 C ATOM 2213 O HIS A 131 14.076 12.182 12.570 1.00 73.41 O ATOM 2214 CB HIS A 131 15.360 12.271 15.262 1.00 25.42 C ATOM 2215 CG HIS A 131 16.233 13.508 15.152 1.00 34.52 C ATOM 2216 ND1 HIS A 131 16.530 14.322 16.226 1.00 44.40 N ATOM 2217 CD2 HIS A 131 16.881 14.055 14.091 1.00 41.11 C ATOM 2218 CE1 HIS A 131 17.312 15.309 15.827 1.00 3.41 C ATOM 2219 NE2 HIS A 131 17.540 15.165 14.540 1.00 5.42 N ATOM 0 H HIS A 131 12.634 10.940 14.291 1.00 45.10 H new ATOM 0 HA HIS A 131 13.501 13.285 15.614 1.00 33.14 H new ATOM 0 HB2 HIS A 131 15.444 11.873 16.273 1.00 25.42 H new ATOM 0 HB3 HIS A 131 15.748 11.509 14.586 1.00 25.42 H new ATOM 0 HD2 HIS A 131 16.876 13.681 13.078 1.00 41.11 H new ATOM 0 HE1 HIS A 131 17.699 16.100 16.452 1.00 3.41 H new ATOM 0 HE2 HIS A 131 18.116 15.783 13.968 1.00 5.42 H new ATOM 2228 N HIS A 132 13.021 14.071 13.253 1.00 14.45 N ATOM 2229 CA HIS A 132 12.976 14.730 11.939 1.00 34.30 C ATOM 2230 C HIS A 132 14.409 15.189 11.602 1.00 63.34 C ATOM 2231 O HIS A 132 14.882 16.195 12.138 1.00 24.10 O ATOM 2232 CB HIS A 132 11.974 15.924 11.971 1.00 70.44 C ATOM 2233 CG HIS A 132 11.820 16.666 10.664 1.00 63.23 C ATOM 2234 ND1 HIS A 132 10.955 16.271 9.671 1.00 24.43 N ATOM 2235 CD2 HIS A 132 12.426 17.785 10.197 1.00 45.34 C ATOM 2236 CE1 HIS A 132 11.038 17.109 8.656 1.00 1.23 C ATOM 2237 NE2 HIS A 132 11.926 18.035 8.947 1.00 15.11 N ATOM 0 H HIS A 132 12.508 14.571 13.979 1.00 14.45 H new ATOM 0 HA HIS A 132 12.624 14.046 11.167 1.00 34.30 H new ATOM 0 HB2 HIS A 132 10.997 15.550 12.276 1.00 70.44 H new ATOM 0 HB3 HIS A 132 12.298 16.630 12.736 1.00 70.44 H new ATOM 0 HD2 HIS A 132 13.168 18.373 10.717 1.00 45.34 H new ATOM 0 HE1 HIS A 132 10.471 17.046 7.739 1.00 1.23 H new ATOM 0 HE2 HIS A 132 12.197 18.810 8.342 1.00 15.11 H new ATOM 2246 N HIS A 133 15.103 14.382 10.769 1.00 62.02 N ATOM 2247 CA HIS A 133 16.560 14.511 10.509 1.00 63.54 C ATOM 2248 C HIS A 133 16.908 15.864 9.872 1.00 4.12 C ATOM 2249 O HIS A 133 17.600 16.687 10.477 1.00 13.01 O ATOM 2250 CB HIS A 133 17.070 13.345 9.616 1.00 15.54 C ATOM 2251 CG HIS A 133 16.943 11.977 10.233 1.00 24.13 C ATOM 2252 ND1 HIS A 133 17.989 11.343 10.868 1.00 65.34 N ATOM 2253 CD2 HIS A 133 15.896 11.122 10.301 1.00 13.01 C ATOM 2254 CE1 HIS A 133 17.592 10.164 11.296 1.00 1.32 C ATOM 2255 NE2 HIS A 133 16.325 10.003 10.965 1.00 11.03 N ATOM 0 H HIS A 133 14.668 13.617 10.253 1.00 62.02 H new ATOM 0 HA HIS A 133 17.065 14.458 11.474 1.00 63.54 H new ATOM 0 HB2 HIS A 133 16.518 13.357 8.676 1.00 15.54 H new ATOM 0 HB3 HIS A 133 18.118 13.523 9.373 1.00 15.54 H new ATOM 0 HD2 HIS A 133 14.905 11.291 9.905 1.00 13.01 H new ATOM 0 HE1 HIS A 133 18.201 9.448 11.829 1.00 1.32 H new ATOM 0 HE2 HIS A 133 15.758 9.180 11.170 1.00 11.03 H new ATOM 2264 N HIS A 134 16.417 16.075 8.647 1.00 41.14 N ATOM 2265 CA HIS A 134 16.583 17.330 7.905 1.00 45.20 C ATOM 2266 C HIS A 134 15.225 18.056 7.875 1.00 62.21 C ATOM 2267 O HIS A 134 14.291 17.551 7.209 1.00 45.02 O ATOM 2268 CB HIS A 134 17.113 17.049 6.472 1.00 60.32 C ATOM 2269 CG HIS A 134 18.466 16.387 6.445 1.00 32.43 C ATOM 2270 ND1 HIS A 134 19.593 16.970 6.979 1.00 45.40 N ATOM 2271 CD2 HIS A 134 18.862 15.178 5.983 1.00 52.23 C ATOM 2272 CE1 HIS A 134 20.617 16.153 6.847 1.00 34.30 C ATOM 2273 NE2 HIS A 134 20.200 15.059 6.247 1.00 51.11 N ATOM 2274 OXT HIS A 134 15.082 19.112 8.534 1.00 37.21 O ATOM 0 H HIS A 134 15.886 15.370 8.136 1.00 41.14 H new ATOM 0 HA HIS A 134 17.319 17.966 8.396 1.00 45.20 H new ATOM 0 HB2 HIS A 134 16.398 16.415 5.948 1.00 60.32 H new ATOM 0 HB3 HIS A 134 17.168 17.989 5.924 1.00 60.32 H new ATOM 0 HD2 HIS A 134 18.238 14.443 5.496 1.00 52.23 H new ATOM 0 HE1 HIS A 134 21.627 16.348 7.175 1.00 34.30 H new ATOM 0 HE2 HIS A 134 20.780 14.252 6.016 1.00 51.11 H new TER 2283 HIS A 134