USER MOD reduce.3.24.130724 H: found=0, std=0, add=1138, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1135 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 107 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 125 LYS NZ :NH3+ 173:sc= -0.664 (180deg=-0.684) USER MOD Set 2.1: A 74 GLN : amide:sc= -0.551 K(o=-0.7,f=-0.12) USER MOD Set 2.2: A 104 TYR OH : rot 180:sc= -0.151 USER MOD Set 3.1: A 96 TYR OH : rot 151:sc= 0.849 USER MOD Set 3.2: A 100 LYS NZ :NH3+ -163:sc= 0.978 (180deg=0) USER MOD Set 4.1: A 23 GLN : amide:sc= 0.332 X(o=0.95,f=1.2) USER MOD Set 4.2: A 31 THR OG1 : rot 10:sc= 0.618 USER MOD Single : A 1 MET CE :methyl -161:sc= -0.132 (180deg=-0.581) USER MOD Single : A 1 MET N :NH3+ -176:sc= -0.147 (180deg=-0.171) USER MOD Single : A 9 THR OG1 : rot 121:sc= 0.0291 USER MOD Single : A 20 LYS NZ :NH3+ 138:sc= 1.15 (180deg=-0.385) USER MOD Single : A 24 LYS NZ :NH3+ -109:sc= -1.19 (180deg=-3.91!) USER MOD Single : A 25 HIS : no HD1:sc= -1.97! C(o=-2!,f=-3.6!) USER MOD Single : A 28 ASN : amide:sc= -1.94! K(o=-1.9!,f=-0.086) USER MOD Single : A 30 LYS NZ :NH3+ -179:sc= 0.201 (180deg=0.19) USER MOD Single : A 34 THR OG1 : rot 175:sc= 0.0608 USER MOD Single : A 35 LYS NZ :NH3+ 166:sc= 1.01 (180deg=0.77) USER MOD Single : A 37 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0475) USER MOD Single : A 39 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.076) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -149:sc= 1.5 (180deg=0.651) USER MOD Single : A 49 LYS NZ :NH3+ 168:sc=-0.00565 (180deg=-0.164) USER MOD Single : A 50 GLN : amide:sc= -0.0977 X(o=-0.098,f=-0.19) USER MOD Single : A 67 LYS NZ :NH3+ -146:sc= 0.629 (180deg=0.158) USER MOD Single : A 72 TYR OH : rot 123:sc= -0.807 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 1:sc= 0.32 USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 LYS NZ :NH3+ 133:sc= -1.02 (180deg=-1.4) USER MOD Single : A 99 LYS NZ :NH3+ -153:sc= 0.0717 (180deg=-0.767!) USER MOD Single : A 101 LYS NZ :NH3+ -142:sc= -0.316 (180deg=-2.07!) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot -21:sc= -0.478 USER MOD Single : A 111 ASN : amide:sc= 0.533 K(o=0.53,f=-2.3!) USER MOD Single : A 116 LYS NZ :NH3+ 163:sc= 1.21 (180deg=0.385) USER MOD Single : A 117 LYS NZ :NH3+ -173:sc= -0.011 (180deg=-0.0772) USER MOD Single : A 118 LYS NZ :NH3+ -153:sc= 0.583 (180deg=0.131) USER MOD Single : A 120 LYS NZ :NH3+ 170:sc= 0.5 (180deg=0.441) USER MOD Single : A 126 SER OG : rot -8:sc= 1.02 USER MOD Single : A 128 SER OG : rot -55:sc= 0.206 USER MOD Single : A 131 HIS : no HD1:sc= -0.148 X(o=-0.15,f=-0.57) USER MOD Single : A 132 HIS : no HD1:sc= -0.903! C(o=-0.9!,f=-2.3!) USER MOD Single : A 133 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 134 HIS : no HD1:sc= -0.015 X(o=-0.015,f=-0.32) USER MOD Single : A 135 HIS : no HD1:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 136 HIS : no HD1:sc= 0 X(o=0,f=-0.073) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.399 -1.848 16.470 1.00 41.05 N ATOM 2 CA MET A 1 4.483 -2.803 16.160 1.00 13.41 C ATOM 3 C MET A 1 4.995 -2.583 14.708 1.00 34.43 C ATOM 4 O MET A 1 6.001 -3.165 14.297 1.00 72.22 O ATOM 5 CB MET A 1 3.951 -4.254 16.392 1.00 23.35 C ATOM 6 CG MET A 1 5.020 -5.358 16.486 1.00 62.42 C ATOM 7 SD MET A 1 4.332 -6.962 16.970 1.00 34.33 S ATOM 8 CE MET A 1 3.727 -6.635 18.630 1.00 51.34 C ATOM 0 H1 MET A 1 3.112 -1.959 17.463 1.00 41.05 H new ATOM 0 H2 MET A 1 3.737 -0.877 16.314 1.00 41.05 H new ATOM 0 H3 MET A 1 2.584 -2.035 15.851 1.00 41.05 H new ATOM 0 HA MET A 1 5.336 -2.642 16.819 1.00 13.41 H new ATOM 0 HB2 MET A 1 3.367 -4.263 17.312 1.00 23.35 H new ATOM 0 HB3 MET A 1 3.269 -4.504 15.579 1.00 23.35 H new ATOM 0 HG2 MET A 1 5.519 -5.458 15.522 1.00 62.42 H new ATOM 0 HG3 MET A 1 5.780 -5.061 17.209 1.00 62.42 H new ATOM 0 HE1 MET A 1 3.595 -7.577 19.161 1.00 51.34 H new ATOM 0 HE2 MET A 1 4.447 -6.015 19.164 1.00 51.34 H new ATOM 0 HE3 MET A 1 2.771 -6.114 18.573 1.00 51.34 H new ATOM 20 N GLY A 2 4.280 -1.735 13.937 1.00 25.41 N ATOM 21 CA GLY A 2 4.631 -1.415 12.544 1.00 13.01 C ATOM 22 C GLY A 2 3.395 -0.980 11.766 1.00 73.32 C ATOM 23 O GLY A 2 2.296 -0.900 12.338 1.00 13.10 O ATOM 0 H GLY A 2 3.443 -1.255 14.267 1.00 25.41 H new ATOM 0 HA2 GLY A 2 5.378 -0.621 12.525 1.00 13.01 H new ATOM 0 HA3 GLY A 2 5.080 -2.286 12.067 1.00 13.01 H new ATOM 27 N VAL A 3 3.566 -0.668 10.464 1.00 41.13 N ATOM 28 CA VAL A 3 2.452 -0.307 9.545 1.00 64.40 C ATOM 29 C VAL A 3 2.735 -0.908 8.152 1.00 32.12 C ATOM 30 O VAL A 3 3.888 -0.979 7.730 1.00 44.55 O ATOM 31 CB VAL A 3 2.262 1.259 9.415 1.00 1.22 C ATOM 32 CG1 VAL A 3 1.192 1.629 8.358 1.00 55.12 C ATOM 33 CG2 VAL A 3 1.911 1.914 10.772 1.00 54.21 C ATOM 0 H VAL A 3 4.481 -0.658 10.014 1.00 41.13 H new ATOM 0 HA VAL A 3 1.530 -0.713 9.962 1.00 64.40 H new ATOM 0 HB VAL A 3 3.222 1.653 9.082 1.00 1.22 H new ATOM 0 HG11 VAL A 3 1.095 2.713 8.303 1.00 55.12 H new ATOM 0 HG12 VAL A 3 1.493 1.241 7.385 1.00 55.12 H new ATOM 0 HG13 VAL A 3 0.234 1.193 8.642 1.00 55.12 H new ATOM 0 HG21 VAL A 3 1.790 2.989 10.637 1.00 54.21 H new ATOM 0 HG22 VAL A 3 0.982 1.489 11.152 1.00 54.21 H new ATOM 0 HG23 VAL A 3 2.714 1.727 11.485 1.00 54.21 H new ATOM 43 N VAL A 4 1.673 -1.355 7.457 1.00 51.31 N ATOM 44 CA VAL A 4 1.751 -1.854 6.078 1.00 15.01 C ATOM 45 C VAL A 4 0.897 -0.957 5.170 1.00 70.22 C ATOM 46 O VAL A 4 -0.324 -0.883 5.331 1.00 63.00 O ATOM 47 CB VAL A 4 1.246 -3.338 5.985 1.00 50.11 C ATOM 48 CG1 VAL A 4 1.399 -3.901 4.557 1.00 73.01 C ATOM 49 CG2 VAL A 4 1.976 -4.227 7.013 1.00 64.35 C ATOM 0 H VAL A 4 0.729 -1.379 7.843 1.00 51.31 H new ATOM 0 HA VAL A 4 2.792 -1.830 5.755 1.00 15.01 H new ATOM 0 HB VAL A 4 0.182 -3.343 6.223 1.00 50.11 H new ATOM 0 HG11 VAL A 4 1.039 -4.930 4.531 1.00 73.01 H new ATOM 0 HG12 VAL A 4 0.816 -3.295 3.863 1.00 73.01 H new ATOM 0 HG13 VAL A 4 2.449 -3.876 4.267 1.00 73.01 H new ATOM 0 HG21 VAL A 4 1.612 -5.251 6.932 1.00 64.35 H new ATOM 0 HG22 VAL A 4 3.048 -4.207 6.816 1.00 64.35 H new ATOM 0 HG23 VAL A 4 1.785 -3.852 8.019 1.00 64.35 H new ATOM 59 N ILE A 5 1.559 -0.252 4.248 1.00 61.32 N ATOM 60 CA ILE A 5 0.902 0.578 3.243 1.00 40.33 C ATOM 61 C ILE A 5 0.737 -0.255 1.945 1.00 44.32 C ATOM 62 O ILE A 5 1.714 -0.532 1.267 1.00 22.33 O ATOM 63 CB ILE A 5 1.732 1.899 2.938 1.00 75.14 C ATOM 64 CG1 ILE A 5 2.027 2.753 4.233 1.00 60.44 C ATOM 65 CG2 ILE A 5 1.002 2.758 1.886 1.00 23.02 C ATOM 66 CD1 ILE A 5 3.184 2.262 5.102 1.00 23.44 C ATOM 0 H ILE A 5 2.577 -0.244 4.181 1.00 61.32 H new ATOM 0 HA ILE A 5 -0.071 0.887 3.625 1.00 40.33 H new ATOM 0 HB ILE A 5 2.697 1.580 2.544 1.00 75.14 H new ATOM 0 HG12 ILE A 5 2.235 3.779 3.930 1.00 60.44 H new ATOM 0 HG13 ILE A 5 1.124 2.778 4.843 1.00 60.44 H new ATOM 0 HG21 ILE A 5 1.581 3.659 1.687 1.00 23.02 H new ATOM 0 HG22 ILE A 5 0.890 2.187 0.964 1.00 23.02 H new ATOM 0 HG23 ILE A 5 0.017 3.035 2.262 1.00 23.02 H new ATOM 0 HD11 ILE A 5 3.298 2.921 5.963 1.00 23.44 H new ATOM 0 HD12 ILE A 5 2.976 1.249 5.446 1.00 23.44 H new ATOM 0 HD13 ILE A 5 4.104 2.266 4.518 1.00 23.44 H new ATOM 78 N LEU A 6 -0.502 -0.656 1.628 1.00 13.21 N ATOM 79 CA LEU A 6 -0.829 -1.407 0.404 1.00 4.32 C ATOM 80 C LEU A 6 -1.300 -0.424 -0.673 1.00 23.14 C ATOM 81 O LEU A 6 -2.434 0.046 -0.635 1.00 11.40 O ATOM 82 CB LEU A 6 -1.977 -2.407 0.714 1.00 14.42 C ATOM 83 CG LEU A 6 -1.732 -3.389 1.892 1.00 45.21 C ATOM 84 CD1 LEU A 6 -3.018 -4.131 2.269 1.00 33.43 C ATOM 85 CD2 LEU A 6 -0.612 -4.378 1.564 1.00 73.44 C ATOM 0 H LEU A 6 -1.313 -0.468 2.217 1.00 13.21 H new ATOM 0 HA LEU A 6 0.050 -1.949 0.054 1.00 4.32 H new ATOM 0 HB2 LEU A 6 -2.881 -1.836 0.927 1.00 14.42 H new ATOM 0 HB3 LEU A 6 -2.174 -2.992 -0.184 1.00 14.42 H new ATOM 0 HG LEU A 6 -1.418 -2.799 2.753 1.00 45.21 H new ATOM 0 HD11 LEU A 6 -2.816 -4.811 3.096 1.00 33.43 H new ATOM 0 HD12 LEU A 6 -3.779 -3.411 2.569 1.00 33.43 H new ATOM 0 HD13 LEU A 6 -3.375 -4.700 1.410 1.00 33.43 H new ATOM 0 HD21 LEU A 6 -0.464 -5.052 2.407 1.00 73.44 H new ATOM 0 HD22 LEU A 6 -0.884 -4.956 0.681 1.00 73.44 H new ATOM 0 HD23 LEU A 6 0.311 -3.831 1.370 1.00 73.44 H new ATOM 97 N VAL A 7 -0.421 -0.110 -1.625 1.00 3.14 N ATOM 98 CA VAL A 7 -0.748 0.764 -2.756 1.00 15.33 C ATOM 99 C VAL A 7 -1.235 -0.102 -3.938 1.00 22.05 C ATOM 100 O VAL A 7 -0.440 -0.768 -4.600 1.00 72.42 O ATOM 101 CB VAL A 7 0.492 1.645 -3.183 1.00 52.35 C ATOM 102 CG1 VAL A 7 0.104 2.676 -4.271 1.00 74.25 C ATOM 103 CG2 VAL A 7 1.108 2.356 -1.959 1.00 50.55 C ATOM 0 H VAL A 7 0.539 -0.454 -1.635 1.00 3.14 H new ATOM 0 HA VAL A 7 -1.540 1.449 -2.454 1.00 15.33 H new ATOM 0 HB VAL A 7 1.241 0.976 -3.607 1.00 52.35 H new ATOM 0 HG11 VAL A 7 0.980 3.266 -4.542 1.00 74.25 H new ATOM 0 HG12 VAL A 7 -0.268 2.153 -5.152 1.00 74.25 H new ATOM 0 HG13 VAL A 7 -0.673 3.336 -3.886 1.00 74.25 H new ATOM 0 HG21 VAL A 7 1.960 2.956 -2.278 1.00 50.55 H new ATOM 0 HG22 VAL A 7 0.360 3.002 -1.499 1.00 50.55 H new ATOM 0 HG23 VAL A 7 1.439 1.612 -1.235 1.00 50.55 H new ATOM 113 N LEU A 8 -2.562 -0.096 -4.170 1.00 11.53 N ATOM 114 CA LEU A 8 -3.200 -0.798 -5.294 1.00 72.23 C ATOM 115 C LEU A 8 -3.240 0.156 -6.494 1.00 45.21 C ATOM 116 O LEU A 8 -4.022 1.103 -6.510 1.00 12.40 O ATOM 117 CB LEU A 8 -4.644 -1.259 -4.917 1.00 13.40 C ATOM 118 CG LEU A 8 -4.766 -2.440 -3.887 1.00 51.41 C ATOM 119 CD1 LEU A 8 -4.343 -2.035 -2.462 1.00 32.43 C ATOM 120 CD2 LEU A 8 -6.183 -3.039 -3.894 1.00 33.41 C ATOM 0 H LEU A 8 -3.225 0.402 -3.575 1.00 11.53 H new ATOM 0 HA LEU A 8 -2.626 -1.691 -5.542 1.00 72.23 H new ATOM 0 HB2 LEU A 8 -5.180 -0.400 -4.514 1.00 13.40 H new ATOM 0 HB3 LEU A 8 -5.156 -1.553 -5.833 1.00 13.40 H new ATOM 0 HG LEU A 8 -4.066 -3.209 -4.213 1.00 51.41 H new ATOM 0 HD11 LEU A 8 -4.448 -2.890 -1.794 1.00 32.43 H new ATOM 0 HD12 LEU A 8 -3.304 -1.707 -2.470 1.00 32.43 H new ATOM 0 HD13 LEU A 8 -4.978 -1.221 -2.112 1.00 32.43 H new ATOM 0 HD21 LEU A 8 -6.237 -3.854 -3.172 1.00 33.41 H new ATOM 0 HD22 LEU A 8 -6.905 -2.268 -3.626 1.00 33.41 H new ATOM 0 HD23 LEU A 8 -6.412 -3.420 -4.889 1.00 33.41 H new ATOM 132 N THR A 9 -2.394 -0.111 -7.495 1.00 2.01 N ATOM 133 CA THR A 9 -2.202 0.773 -8.651 1.00 11.40 C ATOM 134 C THR A 9 -2.901 0.186 -9.891 1.00 4.30 C ATOM 135 O THR A 9 -2.844 -1.030 -10.131 1.00 23.42 O ATOM 136 CB THR A 9 -0.667 0.946 -8.946 1.00 12.12 C ATOM 137 OG1 THR A 9 -0.070 -0.322 -9.276 1.00 54.33 O ATOM 138 CG2 THR A 9 0.091 1.552 -7.752 1.00 54.43 C ATOM 0 H THR A 9 -1.819 -0.953 -7.526 1.00 2.01 H new ATOM 0 HA THR A 9 -2.638 1.746 -8.422 1.00 11.40 H new ATOM 0 HB THR A 9 -0.588 1.632 -9.790 1.00 12.12 H new ATOM 0 HG1 THR A 9 0.324 -0.275 -10.172 1.00 54.33 H new ATOM 0 HG21 THR A 9 1.147 1.652 -8.004 1.00 54.43 H new ATOM 0 HG22 THR A 9 -0.321 2.534 -7.520 1.00 54.43 H new ATOM 0 HG23 THR A 9 -0.015 0.900 -6.885 1.00 54.43 H new ATOM 146 N GLY A 10 -3.552 1.072 -10.672 1.00 63.23 N ATOM 147 CA GLY A 10 -4.225 0.694 -11.920 1.00 53.10 C ATOM 148 C GLY A 10 -3.269 0.694 -13.097 1.00 41.32 C ATOM 149 O GLY A 10 -3.619 0.258 -14.197 1.00 2.30 O ATOM 0 H GLY A 10 -3.623 2.065 -10.452 1.00 63.23 H new ATOM 0 HA2 GLY A 10 -4.666 -0.297 -11.810 1.00 53.10 H new ATOM 0 HA3 GLY A 10 -5.043 1.387 -12.116 1.00 53.10 H new ATOM 153 N ASP A 11 -2.072 1.236 -12.858 1.00 12.54 N ATOM 154 CA ASP A 11 -0.932 1.150 -13.759 1.00 53.24 C ATOM 155 C ASP A 11 0.265 0.629 -12.949 1.00 51.31 C ATOM 156 O ASP A 11 0.609 1.211 -11.917 1.00 12.41 O ATOM 157 CB ASP A 11 -0.597 2.543 -14.352 1.00 62.14 C ATOM 158 CG ASP A 11 -1.731 3.178 -15.182 1.00 2.31 C ATOM 159 OD1 ASP A 11 -1.834 2.889 -16.388 1.00 41.51 O ATOM 160 OD2 ASP A 11 -2.517 3.982 -14.629 1.00 33.14 O ATOM 0 H ASP A 11 -1.869 1.760 -12.007 1.00 12.54 H new ATOM 0 HA ASP A 11 -1.162 0.480 -14.587 1.00 53.24 H new ATOM 0 HB2 ASP A 11 -0.340 3.218 -13.536 1.00 62.14 H new ATOM 0 HB3 ASP A 11 0.288 2.452 -14.981 1.00 62.14 H new ATOM 165 N GLU A 12 0.892 -0.463 -13.417 1.00 20.33 N ATOM 166 CA GLU A 12 2.065 -1.079 -12.754 1.00 52.24 C ATOM 167 C GLU A 12 3.281 -0.121 -12.767 1.00 23.11 C ATOM 168 O GLU A 12 4.178 -0.227 -11.922 1.00 22.30 O ATOM 169 CB GLU A 12 2.403 -2.443 -13.418 1.00 45.24 C ATOM 170 CG GLU A 12 3.427 -3.300 -12.634 1.00 31.20 C ATOM 171 CD GLU A 12 3.682 -4.685 -13.255 1.00 55.02 C ATOM 172 OE1 GLU A 12 2.852 -5.596 -13.055 1.00 25.25 O ATOM 173 OE2 GLU A 12 4.730 -4.874 -13.911 1.00 54.30 O ATOM 0 H GLU A 12 0.603 -0.948 -14.267 1.00 20.33 H new ATOM 0 HA GLU A 12 1.815 -1.265 -11.709 1.00 52.24 H new ATOM 0 HB2 GLU A 12 1.482 -3.015 -13.534 1.00 45.24 H new ATOM 0 HB3 GLU A 12 2.792 -2.259 -14.419 1.00 45.24 H new ATOM 0 HG2 GLU A 12 4.371 -2.759 -12.576 1.00 31.20 H new ATOM 0 HG3 GLU A 12 3.071 -3.430 -11.612 1.00 31.20 H new ATOM 180 N ARG A 13 3.297 0.809 -13.747 1.00 24.15 N ATOM 181 CA ARG A 13 4.319 1.865 -13.858 1.00 22.42 C ATOM 182 C ARG A 13 4.358 2.740 -12.591 1.00 33.40 C ATOM 183 O ARG A 13 5.446 3.111 -12.124 1.00 64.32 O ATOM 184 CB ARG A 13 4.042 2.752 -15.098 1.00 53.41 C ATOM 185 CG ARG A 13 5.130 3.816 -15.367 1.00 54.04 C ATOM 186 CD ARG A 13 4.766 4.773 -16.507 1.00 1.43 C ATOM 187 NE ARG A 13 5.833 5.755 -16.772 1.00 50.04 N ATOM 188 CZ ARG A 13 5.902 6.994 -16.259 1.00 2.33 C ATOM 189 NH1 ARG A 13 4.978 7.439 -15.419 1.00 24.34 N ATOM 190 NH2 ARG A 13 6.906 7.788 -16.600 1.00 23.13 N ATOM 0 H ARG A 13 2.595 0.845 -14.486 1.00 24.15 H new ATOM 0 HA ARG A 13 5.289 1.380 -13.970 1.00 22.42 H new ATOM 0 HB2 ARG A 13 3.949 2.112 -15.976 1.00 53.41 H new ATOM 0 HB3 ARG A 13 3.083 3.253 -14.966 1.00 53.41 H new ATOM 0 HG2 ARG A 13 5.299 4.392 -14.457 1.00 54.04 H new ATOM 0 HG3 ARG A 13 6.068 3.315 -15.606 1.00 54.04 H new ATOM 0 HD2 ARG A 13 4.570 4.199 -17.413 1.00 1.43 H new ATOM 0 HD3 ARG A 13 3.844 5.299 -16.257 1.00 1.43 H new ATOM 0 HE ARG A 13 6.584 5.468 -17.400 1.00 50.04 H new ATOM 0 HH11 ARG A 13 4.199 6.837 -15.153 1.00 24.34 H new ATOM 0 HH12 ARG A 13 5.046 8.383 -15.039 1.00 24.34 H new ATOM 0 HH21 ARG A 13 7.620 7.457 -17.248 1.00 23.13 H new ATOM 0 HH22 ARG A 13 6.965 8.730 -16.214 1.00 23.13 H new ATOM 204 N ILE A 14 3.154 3.033 -12.035 1.00 0.43 N ATOM 205 CA ILE A 14 2.995 3.825 -10.803 1.00 1.45 C ATOM 206 C ILE A 14 3.771 3.164 -9.641 1.00 20.23 C ATOM 207 O ILE A 14 4.439 3.847 -8.861 1.00 40.11 O ATOM 208 CB ILE A 14 1.481 3.988 -10.392 1.00 34.01 C ATOM 209 CG1 ILE A 14 0.613 4.592 -11.545 1.00 62.44 C ATOM 210 CG2 ILE A 14 1.330 4.831 -9.104 1.00 72.35 C ATOM 211 CD1 ILE A 14 0.772 6.081 -11.803 1.00 14.41 C ATOM 0 H ILE A 14 2.269 2.723 -12.435 1.00 0.43 H new ATOM 0 HA ILE A 14 3.398 4.817 -11.006 1.00 1.45 H new ATOM 0 HB ILE A 14 1.108 2.984 -10.192 1.00 34.01 H new ATOM 0 HG12 ILE A 14 0.850 4.059 -12.466 1.00 62.44 H new ATOM 0 HG13 ILE A 14 -0.436 4.394 -11.323 1.00 62.44 H new ATOM 0 HG21 ILE A 14 0.274 4.923 -8.851 1.00 72.35 H new ATOM 0 HG22 ILE A 14 1.858 4.342 -8.285 1.00 72.35 H new ATOM 0 HG23 ILE A 14 1.751 5.823 -9.267 1.00 72.35 H new ATOM 0 HD11 ILE A 14 0.120 6.380 -12.624 1.00 14.41 H new ATOM 0 HD12 ILE A 14 0.503 6.637 -10.905 1.00 14.41 H new ATOM 0 HD13 ILE A 14 1.808 6.296 -12.066 1.00 14.41 H new ATOM 223 N ALA A 15 3.696 1.821 -9.585 1.00 12.11 N ATOM 224 CA ALA A 15 4.339 1.012 -8.542 1.00 13.31 C ATOM 225 C ALA A 15 5.864 1.239 -8.477 1.00 14.35 C ATOM 226 O ALA A 15 6.432 1.329 -7.391 1.00 65.21 O ATOM 227 CB ALA A 15 4.025 -0.468 -8.768 1.00 0.41 C ATOM 0 H ALA A 15 3.182 1.266 -10.270 1.00 12.11 H new ATOM 0 HA ALA A 15 3.933 1.329 -7.581 1.00 13.31 H new ATOM 0 HB1 ALA A 15 4.504 -1.064 -7.992 1.00 0.41 H new ATOM 0 HB2 ALA A 15 2.947 -0.621 -8.729 1.00 0.41 H new ATOM 0 HB3 ALA A 15 4.400 -0.775 -9.744 1.00 0.41 H new ATOM 233 N GLU A 16 6.503 1.352 -9.659 1.00 73.31 N ATOM 234 CA GLU A 16 7.962 1.550 -9.779 1.00 22.15 C ATOM 235 C GLU A 16 8.330 3.008 -9.441 1.00 33.51 C ATOM 236 O GLU A 16 9.216 3.258 -8.613 1.00 14.24 O ATOM 237 CB GLU A 16 8.411 1.182 -11.230 1.00 21.01 C ATOM 238 CG GLU A 16 9.935 0.952 -11.456 1.00 15.20 C ATOM 239 CD GLU A 16 10.825 2.211 -11.330 1.00 61.51 C ATOM 240 OE1 GLU A 16 10.669 3.142 -12.145 1.00 53.51 O ATOM 241 OE2 GLU A 16 11.687 2.266 -10.424 1.00 63.05 O ATOM 0 H GLU A 16 6.022 1.309 -10.557 1.00 73.31 H new ATOM 0 HA GLU A 16 8.481 0.902 -9.073 1.00 22.15 H new ATOM 0 HB2 GLU A 16 7.883 0.277 -11.530 1.00 21.01 H new ATOM 0 HB3 GLU A 16 8.085 1.978 -11.899 1.00 21.01 H new ATOM 0 HG2 GLU A 16 10.283 0.209 -10.738 1.00 15.20 H new ATOM 0 HG3 GLU A 16 10.077 0.526 -12.449 1.00 15.20 H new ATOM 248 N GLU A 17 7.634 3.961 -10.090 1.00 64.12 N ATOM 249 CA GLU A 17 7.998 5.393 -10.051 1.00 0.22 C ATOM 250 C GLU A 17 7.799 6.003 -8.647 1.00 4.12 C ATOM 251 O GLU A 17 8.510 6.942 -8.269 1.00 65.14 O ATOM 252 CB GLU A 17 7.234 6.194 -11.143 1.00 12.41 C ATOM 253 CG GLU A 17 5.708 6.314 -10.947 1.00 35.52 C ATOM 254 CD GLU A 17 4.993 6.942 -12.156 1.00 20.34 C ATOM 255 OE1 GLU A 17 5.217 8.142 -12.430 1.00 62.11 O ATOM 256 OE2 GLU A 17 4.221 6.239 -12.846 1.00 2.24 O ATOM 0 H GLU A 17 6.807 3.763 -10.654 1.00 64.12 H new ATOM 0 HA GLU A 17 9.063 5.465 -10.273 1.00 0.22 H new ATOM 0 HB2 GLU A 17 7.655 7.198 -11.191 1.00 12.41 H new ATOM 0 HB3 GLU A 17 7.421 5.724 -12.109 1.00 12.41 H new ATOM 0 HG2 GLU A 17 5.292 5.324 -10.761 1.00 35.52 H new ATOM 0 HG3 GLU A 17 5.508 6.916 -10.061 1.00 35.52 H new ATOM 263 N LEU A 18 6.820 5.474 -7.891 1.00 15.42 N ATOM 264 CA LEU A 18 6.628 5.842 -6.481 1.00 51.24 C ATOM 265 C LEU A 18 7.697 5.174 -5.599 1.00 23.01 C ATOM 266 O LEU A 18 8.249 5.814 -4.715 1.00 4.52 O ATOM 267 CB LEU A 18 5.215 5.442 -5.977 1.00 43.33 C ATOM 268 CG LEU A 18 3.993 6.166 -6.632 1.00 30.01 C ATOM 269 CD1 LEU A 18 2.688 5.742 -5.923 1.00 32.15 C ATOM 270 CD2 LEU A 18 4.165 7.704 -6.632 1.00 44.32 C ATOM 0 H LEU A 18 6.149 4.788 -8.237 1.00 15.42 H new ATOM 0 HA LEU A 18 6.725 6.925 -6.410 1.00 51.24 H new ATOM 0 HB2 LEU A 18 5.093 4.369 -6.128 1.00 43.33 H new ATOM 0 HB3 LEU A 18 5.177 5.619 -4.902 1.00 43.33 H new ATOM 0 HG LEU A 18 3.936 5.861 -7.677 1.00 30.01 H new ATOM 0 HD11 LEU A 18 1.841 6.250 -6.385 1.00 32.15 H new ATOM 0 HD12 LEU A 18 2.558 4.664 -6.015 1.00 32.15 H new ATOM 0 HD13 LEU A 18 2.742 6.012 -4.868 1.00 32.15 H new ATOM 0 HD21 LEU A 18 3.294 8.167 -7.096 1.00 44.32 H new ATOM 0 HD22 LEU A 18 4.262 8.059 -5.606 1.00 44.32 H new ATOM 0 HD23 LEU A 18 5.060 7.970 -7.194 1.00 44.32 H new ATOM 282 N ARG A 19 7.994 3.886 -5.886 1.00 35.23 N ATOM 283 CA ARG A 19 8.896 3.044 -5.062 1.00 34.14 C ATOM 284 C ARG A 19 10.291 3.659 -4.921 1.00 42.21 C ATOM 285 O ARG A 19 10.820 3.779 -3.806 1.00 53.11 O ATOM 286 CB ARG A 19 9.019 1.635 -5.691 1.00 72.20 C ATOM 287 CG ARG A 19 9.878 0.646 -4.885 1.00 65.35 C ATOM 288 CD ARG A 19 9.893 -0.758 -5.498 1.00 4.13 C ATOM 289 NE ARG A 19 10.616 -1.711 -4.642 1.00 65.42 N ATOM 290 CZ ARG A 19 11.381 -2.719 -5.066 1.00 13.51 C ATOM 291 NH1 ARG A 19 11.567 -2.945 -6.365 1.00 52.43 N ATOM 292 NH2 ARG A 19 11.943 -3.513 -4.180 1.00 15.53 N ATOM 0 H ARG A 19 7.614 3.399 -6.698 1.00 35.23 H new ATOM 0 HA ARG A 19 8.458 2.977 -4.066 1.00 34.14 H new ATOM 0 HB2 ARG A 19 8.020 1.216 -5.809 1.00 72.20 H new ATOM 0 HB3 ARG A 19 9.443 1.733 -6.690 1.00 72.20 H new ATOM 0 HG2 ARG A 19 10.899 1.023 -4.825 1.00 65.35 H new ATOM 0 HG3 ARG A 19 9.499 0.589 -3.865 1.00 65.35 H new ATOM 0 HD2 ARG A 19 8.870 -1.103 -5.645 1.00 4.13 H new ATOM 0 HD3 ARG A 19 10.362 -0.722 -6.481 1.00 4.13 H new ATOM 0 HE ARG A 19 10.524 -1.591 -3.633 1.00 65.42 H new ATOM 0 HH11 ARG A 19 11.121 -2.342 -7.057 1.00 52.43 H new ATOM 0 HH12 ARG A 19 12.156 -3.721 -6.669 1.00 52.43 H new ATOM 0 HH21 ARG A 19 11.791 -3.354 -3.184 1.00 15.53 H new ATOM 0 HH22 ARG A 19 12.530 -4.288 -4.489 1.00 15.53 H new ATOM 306 N LYS A 20 10.855 4.046 -6.076 1.00 14.00 N ATOM 307 CA LYS A 20 12.189 4.647 -6.169 1.00 32.42 C ATOM 308 C LYS A 20 12.257 5.970 -5.371 1.00 51.13 C ATOM 309 O LYS A 20 13.280 6.280 -4.754 1.00 2.12 O ATOM 310 CB LYS A 20 12.560 4.854 -7.675 1.00 12.42 C ATOM 311 CG LYS A 20 11.729 5.930 -8.421 1.00 64.24 C ATOM 312 CD LYS A 20 11.738 5.823 -9.973 1.00 74.03 C ATOM 313 CE LYS A 20 13.140 5.716 -10.616 1.00 1.12 C ATOM 314 NZ LYS A 20 13.633 4.314 -10.669 1.00 63.43 N ATOM 0 H LYS A 20 10.391 3.948 -6.979 1.00 14.00 H new ATOM 0 HA LYS A 20 12.921 3.974 -5.723 1.00 32.42 H new ATOM 0 HB2 LYS A 20 13.614 5.124 -7.739 1.00 12.42 H new ATOM 0 HB3 LYS A 20 12.443 3.903 -8.195 1.00 12.42 H new ATOM 0 HG2 LYS A 20 10.697 5.871 -8.076 1.00 64.24 H new ATOM 0 HG3 LYS A 20 12.104 6.914 -8.139 1.00 64.24 H new ATOM 0 HD2 LYS A 20 11.154 4.950 -10.265 1.00 74.03 H new ATOM 0 HD3 LYS A 20 11.232 6.697 -10.385 1.00 74.03 H new ATOM 0 HE2 LYS A 20 13.106 6.125 -11.626 1.00 1.12 H new ATOM 0 HE3 LYS A 20 13.844 6.325 -10.049 1.00 1.12 H new ATOM 0 HZ1 LYS A 20 14.087 4.140 -11.589 1.00 63.43 H new ATOM 0 HZ2 LYS A 20 14.324 4.160 -9.907 1.00 63.43 H new ATOM 0 HZ3 LYS A 20 12.833 3.660 -10.548 1.00 63.43 H new ATOM 328 N GLU A 21 11.124 6.705 -5.361 1.00 64.14 N ATOM 329 CA GLU A 21 10.988 8.009 -4.688 1.00 4.40 C ATOM 330 C GLU A 21 10.838 7.827 -3.156 1.00 11.13 C ATOM 331 O GLU A 21 11.369 8.619 -2.373 1.00 15.05 O ATOM 332 CB GLU A 21 9.803 8.774 -5.333 1.00 62.20 C ATOM 333 CG GLU A 21 9.727 10.282 -5.001 1.00 52.13 C ATOM 334 CD GLU A 21 9.085 10.595 -3.637 1.00 12.44 C ATOM 335 OE1 GLU A 21 7.918 10.220 -3.427 1.00 63.52 O ATOM 336 OE2 GLU A 21 9.734 11.223 -2.787 1.00 63.33 O ATOM 0 H GLU A 21 10.269 6.403 -5.827 1.00 64.14 H new ATOM 0 HA GLU A 21 11.890 8.606 -4.824 1.00 4.40 H new ATOM 0 HB2 GLU A 21 9.866 8.660 -6.415 1.00 62.20 H new ATOM 0 HB3 GLU A 21 8.873 8.302 -5.016 1.00 62.20 H new ATOM 0 HG2 GLU A 21 10.734 10.698 -5.020 1.00 52.13 H new ATOM 0 HG3 GLU A 21 9.159 10.787 -5.782 1.00 52.13 H new ATOM 343 N VAL A 22 10.136 6.752 -2.753 1.00 35.52 N ATOM 344 CA VAL A 22 9.962 6.365 -1.335 1.00 75.34 C ATOM 345 C VAL A 22 11.314 5.988 -0.710 1.00 73.52 C ATOM 346 O VAL A 22 11.553 6.248 0.471 1.00 0.33 O ATOM 347 CB VAL A 22 8.934 5.170 -1.205 1.00 60.13 C ATOM 348 CG1 VAL A 22 8.891 4.564 0.222 1.00 44.41 C ATOM 349 CG2 VAL A 22 7.530 5.632 -1.631 1.00 24.34 C ATOM 0 H VAL A 22 9.669 6.121 -3.404 1.00 35.52 H new ATOM 0 HA VAL A 22 9.560 7.221 -0.792 1.00 75.34 H new ATOM 0 HB VAL A 22 9.279 4.380 -1.872 1.00 60.13 H new ATOM 0 HG11 VAL A 22 8.168 3.749 0.249 1.00 44.41 H new ATOM 0 HG12 VAL A 22 9.878 4.183 0.485 1.00 44.41 H new ATOM 0 HG13 VAL A 22 8.597 5.334 0.935 1.00 44.41 H new ATOM 0 HG21 VAL A 22 6.830 4.802 -1.538 1.00 24.34 H new ATOM 0 HG22 VAL A 22 7.207 6.453 -0.990 1.00 24.34 H new ATOM 0 HG23 VAL A 22 7.557 5.969 -2.667 1.00 24.34 H new ATOM 359 N GLN A 23 12.197 5.396 -1.528 1.00 71.53 N ATOM 360 CA GLN A 23 13.571 5.068 -1.123 1.00 74.53 C ATOM 361 C GLN A 23 14.411 6.346 -0.928 1.00 4.15 C ATOM 362 O GLN A 23 15.366 6.354 -0.150 1.00 54.44 O ATOM 363 CB GLN A 23 14.226 4.117 -2.160 1.00 74.14 C ATOM 364 CG GLN A 23 13.546 2.729 -2.253 1.00 61.24 C ATOM 365 CD GLN A 23 13.623 1.906 -0.953 1.00 71.33 C ATOM 366 OE1 GLN A 23 14.598 1.973 -0.205 1.00 24.04 O ATOM 367 NE2 GLN A 23 12.592 1.130 -0.670 1.00 1.52 N ATOM 0 H GLN A 23 11.978 5.131 -2.488 1.00 71.53 H new ATOM 0 HA GLN A 23 13.534 4.552 -0.164 1.00 74.53 H new ATOM 0 HB2 GLN A 23 14.199 4.591 -3.141 1.00 74.14 H new ATOM 0 HB3 GLN A 23 15.276 3.980 -1.901 1.00 74.14 H new ATOM 0 HG2 GLN A 23 12.499 2.866 -2.523 1.00 61.24 H new ATOM 0 HG3 GLN A 23 14.011 2.161 -3.059 1.00 61.24 H new ATOM 0 HE21 GLN A 23 11.794 1.090 -1.305 1.00 1.52 H new ATOM 0 HE22 GLN A 23 12.594 0.571 0.183 1.00 1.52 H new ATOM 376 N LYS A 24 14.059 7.420 -1.655 1.00 73.01 N ATOM 377 CA LYS A 24 14.707 8.740 -1.499 1.00 73.11 C ATOM 378 C LYS A 24 14.195 9.447 -0.224 1.00 12.54 C ATOM 379 O LYS A 24 14.943 10.191 0.418 1.00 23.01 O ATOM 380 CB LYS A 24 14.460 9.627 -2.752 1.00 32.54 C ATOM 381 CG LYS A 24 14.918 9.033 -4.121 1.00 31.44 C ATOM 382 CD LYS A 24 16.465 9.004 -4.379 1.00 42.54 C ATOM 383 CE LYS A 24 17.238 7.839 -3.680 1.00 13.42 C ATOM 384 NZ LYS A 24 17.885 8.254 -2.401 1.00 51.31 N ATOM 0 H LYS A 24 13.324 7.402 -2.362 1.00 73.01 H new ATOM 0 HA LYS A 24 15.781 8.583 -1.399 1.00 73.11 H new ATOM 0 HB2 LYS A 24 13.394 9.844 -2.813 1.00 32.54 H new ATOM 0 HB3 LYS A 24 14.971 10.578 -2.604 1.00 32.54 H new ATOM 0 HG2 LYS A 24 14.539 8.014 -4.197 1.00 31.44 H new ATOM 0 HG3 LYS A 24 14.448 9.608 -4.919 1.00 31.44 H new ATOM 0 HD2 LYS A 24 16.636 8.938 -5.453 1.00 42.54 H new ATOM 0 HD3 LYS A 24 16.890 9.951 -4.046 1.00 42.54 H new ATOM 0 HE2 LYS A 24 16.547 7.019 -3.482 1.00 13.42 H new ATOM 0 HE3 LYS A 24 18.000 7.457 -4.359 1.00 13.42 H new ATOM 0 HZ1 LYS A 24 18.917 8.286 -2.528 1.00 51.31 H new ATOM 0 HZ2 LYS A 24 17.540 9.196 -2.127 1.00 51.31 H new ATOM 0 HZ3 LYS A 24 17.649 7.569 -1.655 1.00 51.31 H new ATOM 398 N HIS A 25 12.921 9.198 0.121 1.00 54.24 N ATOM 399 CA HIS A 25 12.280 9.742 1.335 1.00 4.12 C ATOM 400 C HIS A 25 12.874 9.075 2.594 1.00 64.03 C ATOM 401 O HIS A 25 13.257 9.757 3.555 1.00 51.30 O ATOM 402 CB HIS A 25 10.746 9.521 1.256 1.00 33.22 C ATOM 403 CG HIS A 25 9.955 10.131 2.392 1.00 25.43 C ATOM 404 ND1 HIS A 25 9.444 11.398 2.300 1.00 32.22 N ATOM 405 CD2 HIS A 25 9.588 9.598 3.590 1.00 23.45 C ATOM 406 CE1 HIS A 25 8.779 11.605 3.416 1.00 23.50 C ATOM 407 NE2 HIS A 25 8.837 10.543 4.232 1.00 62.13 N ATOM 0 H HIS A 25 12.301 8.610 -0.436 1.00 54.24 H new ATOM 0 HA HIS A 25 12.473 10.813 1.400 1.00 4.12 H new ATOM 0 HB2 HIS A 25 10.382 9.935 0.316 1.00 33.22 H new ATOM 0 HB3 HIS A 25 10.549 8.449 1.230 1.00 33.22 H new ATOM 0 HD2 HIS A 25 9.842 8.616 3.962 1.00 23.45 H new ATOM 0 HE1 HIS A 25 8.251 12.519 3.647 1.00 23.50 H new ATOM 0 HE2 HIS A 25 8.405 10.457 5.152 1.00 62.13 H new ATOM 415 N ASP A 26 12.945 7.734 2.547 1.00 13.54 N ATOM 416 CA ASP A 26 13.506 6.884 3.606 1.00 63.32 C ATOM 417 C ASP A 26 13.902 5.518 2.986 1.00 0.03 C ATOM 418 O ASP A 26 13.020 4.740 2.592 1.00 70.02 O ATOM 419 CB ASP A 26 12.497 6.686 4.776 1.00 74.25 C ATOM 420 CG ASP A 26 13.083 5.847 5.931 1.00 61.25 C ATOM 421 OD1 ASP A 26 13.755 6.417 6.810 1.00 23.21 O ATOM 422 OD2 ASP A 26 12.884 4.622 5.968 1.00 32.01 O ATOM 0 H ASP A 26 12.604 7.199 1.749 1.00 13.54 H new ATOM 0 HA ASP A 26 14.386 7.372 4.026 1.00 63.32 H new ATOM 0 HB2 ASP A 26 12.194 7.661 5.158 1.00 74.25 H new ATOM 0 HB3 ASP A 26 11.599 6.198 4.397 1.00 74.25 H new ATOM 427 N PRO A 27 15.238 5.207 2.872 1.00 50.32 N ATOM 428 CA PRO A 27 15.731 3.946 2.255 1.00 22.31 C ATOM 429 C PRO A 27 15.485 2.696 3.117 1.00 0.14 C ATOM 430 O PRO A 27 15.700 1.570 2.655 1.00 45.30 O ATOM 431 CB PRO A 27 17.262 4.193 2.066 1.00 2.32 C ATOM 432 CG PRO A 27 17.468 5.660 2.339 1.00 11.41 C ATOM 433 CD PRO A 27 16.375 6.053 3.305 1.00 54.34 C ATOM 0 HA PRO A 27 15.200 3.736 1.327 1.00 22.31 H new ATOM 0 HB2 PRO A 27 17.846 3.580 2.752 1.00 2.32 H new ATOM 0 HB3 PRO A 27 17.580 3.933 1.056 1.00 2.32 H new ATOM 0 HG2 PRO A 27 18.454 5.844 2.767 1.00 11.41 H new ATOM 0 HG3 PRO A 27 17.406 6.242 1.419 1.00 11.41 H new ATOM 0 HD2 PRO A 27 16.657 5.854 4.339 1.00 54.34 H new ATOM 0 HD3 PRO A 27 16.138 7.115 3.238 1.00 54.34 H new ATOM 441 N ASN A 28 15.069 2.893 4.379 1.00 62.21 N ATOM 442 CA ASN A 28 14.865 1.788 5.328 1.00 52.34 C ATOM 443 C ASN A 28 13.435 1.221 5.194 1.00 24.34 C ATOM 444 O ASN A 28 13.174 0.101 5.655 1.00 55.33 O ATOM 445 CB ASN A 28 15.165 2.241 6.788 1.00 22.53 C ATOM 446 CG ASN A 28 16.630 2.641 7.058 1.00 73.22 C ATOM 447 OD1 ASN A 28 17.184 2.343 8.117 1.00 1.04 O ATOM 448 ND2 ASN A 28 17.264 3.358 6.143 1.00 5.35 N ATOM 0 H ASN A 28 14.866 3.814 4.767 1.00 62.21 H new ATOM 0 HA ASN A 28 15.568 0.991 5.086 1.00 52.34 H new ATOM 0 HB2 ASN A 28 14.523 3.088 7.029 1.00 22.53 H new ATOM 0 HB3 ASN A 28 14.894 1.432 7.466 1.00 22.53 H new ATOM 0 HD21 ASN A 28 18.221 3.669 6.312 1.00 5.35 H new ATOM 0 HD22 ASN A 28 16.796 3.599 5.269 1.00 5.35 H new ATOM 455 N VAL A 29 12.510 2.005 4.580 1.00 0.12 N ATOM 456 CA VAL A 29 11.154 1.524 4.246 1.00 62.00 C ATOM 457 C VAL A 29 11.247 0.380 3.227 1.00 10.42 C ATOM 458 O VAL A 29 11.741 0.576 2.107 1.00 25.51 O ATOM 459 CB VAL A 29 10.218 2.672 3.673 1.00 72.14 C ATOM 460 CG1 VAL A 29 8.849 2.124 3.181 1.00 2.23 C ATOM 461 CG2 VAL A 29 9.992 3.778 4.724 1.00 41.25 C ATOM 0 H VAL A 29 12.684 2.973 4.308 1.00 0.12 H new ATOM 0 HA VAL A 29 10.702 1.172 5.173 1.00 62.00 H new ATOM 0 HB VAL A 29 10.737 3.096 2.813 1.00 72.14 H new ATOM 0 HG11 VAL A 29 8.244 2.946 2.798 1.00 2.23 H new ATOM 0 HG12 VAL A 29 9.013 1.394 2.388 1.00 2.23 H new ATOM 0 HG13 VAL A 29 8.329 1.647 4.011 1.00 2.23 H new ATOM 0 HG21 VAL A 29 9.348 4.551 4.306 1.00 41.25 H new ATOM 0 HG22 VAL A 29 9.518 3.349 5.607 1.00 41.25 H new ATOM 0 HG23 VAL A 29 10.950 4.216 5.003 1.00 41.25 H new ATOM 471 N LYS A 30 10.799 -0.817 3.642 1.00 5.40 N ATOM 472 CA LYS A 30 10.747 -1.995 2.771 1.00 3.33 C ATOM 473 C LYS A 30 9.615 -1.808 1.765 1.00 12.14 C ATOM 474 O LYS A 30 8.526 -1.394 2.128 1.00 43.00 O ATOM 475 CB LYS A 30 10.556 -3.285 3.614 1.00 44.42 C ATOM 476 CG LYS A 30 11.765 -3.600 4.521 1.00 52.54 C ATOM 477 CD LYS A 30 13.077 -3.901 3.725 1.00 60.21 C ATOM 478 CE LYS A 30 13.288 -5.404 3.438 1.00 15.14 C ATOM 479 NZ LYS A 30 12.233 -5.979 2.563 1.00 53.12 N ATOM 0 H LYS A 30 10.464 -0.991 4.590 1.00 5.40 H new ATOM 0 HA LYS A 30 11.687 -2.103 2.230 1.00 3.33 H new ATOM 0 HB2 LYS A 30 9.664 -3.180 4.231 1.00 44.42 H new ATOM 0 HB3 LYS A 30 10.383 -4.127 2.944 1.00 44.42 H new ATOM 0 HG2 LYS A 30 11.939 -2.756 5.188 1.00 52.54 H new ATOM 0 HG3 LYS A 30 11.525 -4.458 5.149 1.00 52.54 H new ATOM 0 HD2 LYS A 30 13.053 -3.358 2.780 1.00 60.21 H new ATOM 0 HD3 LYS A 30 13.930 -3.523 4.288 1.00 60.21 H new ATOM 0 HE2 LYS A 30 14.261 -5.546 2.967 1.00 15.14 H new ATOM 0 HE3 LYS A 30 13.308 -5.950 4.381 1.00 15.14 H new ATOM 0 HZ1 LYS A 30 12.416 -6.992 2.418 1.00 53.12 H new ATOM 0 HZ2 LYS A 30 11.304 -5.856 3.013 1.00 53.12 H new ATOM 0 HZ3 LYS A 30 12.240 -5.491 1.644 1.00 53.12 H new ATOM 493 N THR A 31 9.901 -2.085 0.504 1.00 13.15 N ATOM 494 CA THR A 31 8.968 -1.834 -0.608 1.00 53.25 C ATOM 495 C THR A 31 8.986 -3.042 -1.538 1.00 42.31 C ATOM 496 O THR A 31 10.042 -3.399 -2.070 1.00 50.01 O ATOM 497 CB THR A 31 9.342 -0.531 -1.397 1.00 51.12 C ATOM 498 OG1 THR A 31 10.721 -0.584 -1.801 1.00 62.50 O ATOM 499 CG2 THR A 31 9.097 0.755 -0.584 1.00 11.03 C ATOM 0 H THR A 31 10.789 -2.493 0.210 1.00 13.15 H new ATOM 0 HA THR A 31 7.967 -1.685 -0.202 1.00 53.25 H new ATOM 0 HB THR A 31 8.689 -0.493 -2.269 1.00 51.12 H new ATOM 0 HG1 THR A 31 11.076 -1.482 -1.635 1.00 62.50 H new ATOM 0 HG21 THR A 31 9.374 1.622 -1.183 1.00 11.03 H new ATOM 0 HG22 THR A 31 8.042 0.821 -0.316 1.00 11.03 H new ATOM 0 HG23 THR A 31 9.701 0.732 0.323 1.00 11.03 H new ATOM 507 N VAL A 32 7.824 -3.688 -1.705 1.00 60.32 N ATOM 508 CA VAL A 32 7.707 -4.943 -2.459 1.00 72.02 C ATOM 509 C VAL A 32 6.918 -4.685 -3.757 1.00 34.32 C ATOM 510 O VAL A 32 5.788 -4.203 -3.685 1.00 61.31 O ATOM 511 CB VAL A 32 6.982 -6.057 -1.615 1.00 12.52 C ATOM 512 CG1 VAL A 32 7.074 -7.429 -2.319 1.00 55.15 C ATOM 513 CG2 VAL A 32 7.540 -6.140 -0.178 1.00 55.04 C ATOM 0 H VAL A 32 6.939 -3.355 -1.321 1.00 60.32 H new ATOM 0 HA VAL A 32 8.711 -5.297 -2.692 1.00 72.02 H new ATOM 0 HB VAL A 32 5.931 -5.778 -1.542 1.00 12.52 H new ATOM 0 HG11 VAL A 32 6.566 -8.182 -1.716 1.00 55.15 H new ATOM 0 HG12 VAL A 32 6.600 -7.368 -3.299 1.00 55.15 H new ATOM 0 HG13 VAL A 32 8.121 -7.707 -2.439 1.00 55.15 H new ATOM 0 HG21 VAL A 32 7.014 -6.920 0.372 1.00 55.04 H new ATOM 0 HG22 VAL A 32 8.604 -6.375 -0.214 1.00 55.04 H new ATOM 0 HG23 VAL A 32 7.397 -5.183 0.324 1.00 55.04 H new ATOM 523 N PRO A 33 7.499 -4.981 -4.966 1.00 22.11 N ATOM 524 CA PRO A 33 6.774 -4.833 -6.254 1.00 22.22 C ATOM 525 C PRO A 33 5.694 -5.925 -6.449 1.00 32.24 C ATOM 526 O PRO A 33 5.668 -6.927 -5.718 1.00 41.14 O ATOM 527 CB PRO A 33 7.903 -4.925 -7.308 1.00 42.31 C ATOM 528 CG PRO A 33 8.978 -5.747 -6.658 1.00 43.22 C ATOM 529 CD PRO A 33 8.903 -5.444 -5.173 1.00 45.12 C ATOM 0 HA PRO A 33 6.213 -3.901 -6.319 1.00 22.22 H new ATOM 0 HB2 PRO A 33 7.548 -5.394 -8.226 1.00 42.31 H new ATOM 0 HB3 PRO A 33 8.272 -3.936 -7.578 1.00 42.31 H new ATOM 0 HG2 PRO A 33 8.823 -6.809 -6.847 1.00 43.22 H new ATOM 0 HG3 PRO A 33 9.959 -5.492 -7.058 1.00 43.22 H new ATOM 0 HD2 PRO A 33 9.124 -6.328 -4.574 1.00 45.12 H new ATOM 0 HD3 PRO A 33 9.622 -4.677 -4.886 1.00 45.12 H new ATOM 537 N THR A 34 4.838 -5.728 -7.464 1.00 55.32 N ATOM 538 CA THR A 34 3.615 -6.534 -7.663 1.00 40.52 C ATOM 539 C THR A 34 3.939 -8.010 -8.002 1.00 53.32 C ATOM 540 O THR A 34 3.189 -8.921 -7.630 1.00 64.51 O ATOM 541 CB THR A 34 2.729 -5.917 -8.798 1.00 42.25 C ATOM 542 OG1 THR A 34 3.397 -6.046 -10.065 1.00 54.42 O ATOM 543 CG2 THR A 34 2.428 -4.420 -8.551 1.00 64.00 C ATOM 0 H THR A 34 4.971 -5.006 -8.172 1.00 55.32 H new ATOM 0 HA THR A 34 3.067 -6.518 -6.721 1.00 40.52 H new ATOM 0 HB THR A 34 1.786 -6.464 -8.802 1.00 42.25 H new ATOM 0 HG1 THR A 34 2.802 -5.741 -10.781 1.00 54.42 H new ATOM 0 HG21 THR A 34 1.811 -4.034 -9.363 1.00 64.00 H new ATOM 0 HG22 THR A 34 1.897 -4.307 -7.606 1.00 64.00 H new ATOM 0 HG23 THR A 34 3.364 -3.863 -8.510 1.00 64.00 H new ATOM 551 N LYS A 35 5.066 -8.221 -8.713 1.00 22.05 N ATOM 552 CA LYS A 35 5.523 -9.565 -9.135 1.00 13.12 C ATOM 553 C LYS A 35 6.056 -10.398 -7.953 1.00 33.34 C ATOM 554 O LYS A 35 6.063 -11.632 -8.003 1.00 4.42 O ATOM 555 CB LYS A 35 6.596 -9.425 -10.248 1.00 44.51 C ATOM 556 CG LYS A 35 7.879 -8.683 -9.818 1.00 43.14 C ATOM 557 CD LYS A 35 8.900 -8.537 -10.966 1.00 50.22 C ATOM 558 CE LYS A 35 10.234 -7.931 -10.495 1.00 52.54 C ATOM 559 NZ LYS A 35 10.972 -8.844 -9.582 1.00 30.54 N ATOM 0 H LYS A 35 5.685 -7.467 -9.011 1.00 22.05 H new ATOM 0 HA LYS A 35 4.663 -10.105 -9.531 1.00 13.12 H new ATOM 0 HB2 LYS A 35 6.869 -10.421 -10.598 1.00 44.51 H new ATOM 0 HB3 LYS A 35 6.155 -8.899 -11.095 1.00 44.51 H new ATOM 0 HG2 LYS A 35 7.613 -7.693 -9.446 1.00 43.14 H new ATOM 0 HG3 LYS A 35 8.344 -9.220 -8.991 1.00 43.14 H new ATOM 0 HD2 LYS A 35 9.086 -9.515 -11.409 1.00 50.22 H new ATOM 0 HD3 LYS A 35 8.475 -7.908 -11.748 1.00 50.22 H new ATOM 0 HE2 LYS A 35 10.855 -7.706 -11.362 1.00 52.54 H new ATOM 0 HE3 LYS A 35 10.043 -6.986 -9.986 1.00 52.54 H new ATOM 0 HZ1 LYS A 35 11.952 -8.513 -9.478 1.00 30.54 H new ATOM 0 HZ2 LYS A 35 10.509 -8.853 -8.651 1.00 30.54 H new ATOM 0 HZ3 LYS A 35 10.971 -9.806 -9.978 1.00 30.54 H new ATOM 573 N ASP A 36 6.487 -9.715 -6.882 1.00 25.03 N ATOM 574 CA ASP A 36 7.002 -10.363 -5.667 1.00 51.15 C ATOM 575 C ASP A 36 5.940 -10.354 -4.554 1.00 64.02 C ATOM 576 O ASP A 36 6.290 -10.379 -3.371 1.00 61.42 O ATOM 577 CB ASP A 36 8.311 -9.663 -5.196 1.00 65.42 C ATOM 578 CG ASP A 36 9.486 -9.861 -6.172 1.00 12.32 C ATOM 579 OD1 ASP A 36 10.099 -10.946 -6.168 1.00 30.22 O ATOM 580 OD2 ASP A 36 9.797 -8.938 -6.952 1.00 34.32 O ATOM 0 H ASP A 36 6.488 -8.696 -6.834 1.00 25.03 H new ATOM 0 HA ASP A 36 7.234 -11.403 -5.898 1.00 51.15 H new ATOM 0 HB2 ASP A 36 8.122 -8.596 -5.075 1.00 65.42 H new ATOM 0 HB3 ASP A 36 8.591 -10.050 -4.216 1.00 65.42 H new ATOM 585 N LYS A 37 4.629 -10.387 -4.938 1.00 30.43 N ATOM 586 CA LYS A 37 3.504 -10.406 -3.964 1.00 23.21 C ATOM 587 C LYS A 37 3.533 -11.673 -3.069 1.00 23.12 C ATOM 588 O LYS A 37 2.901 -11.714 -2.002 1.00 1.42 O ATOM 589 CB LYS A 37 2.123 -10.230 -4.659 1.00 41.22 C ATOM 590 CG LYS A 37 1.707 -11.403 -5.558 1.00 75.51 C ATOM 591 CD LYS A 37 0.232 -11.324 -6.005 1.00 72.22 C ATOM 592 CE LYS A 37 -0.163 -12.496 -6.918 1.00 55.35 C ATOM 593 NZ LYS A 37 0.562 -12.470 -8.217 1.00 22.50 N ATOM 0 H LYS A 37 4.331 -10.401 -5.913 1.00 30.43 H new ATOM 0 HA LYS A 37 3.645 -9.545 -3.311 1.00 23.21 H new ATOM 0 HB2 LYS A 37 1.361 -10.088 -3.893 1.00 41.22 H new ATOM 0 HB3 LYS A 37 2.146 -9.320 -5.258 1.00 41.22 H new ATOM 0 HG2 LYS A 37 2.348 -11.424 -6.439 1.00 75.51 H new ATOM 0 HG3 LYS A 37 1.870 -12.339 -5.024 1.00 75.51 H new ATOM 0 HD2 LYS A 37 -0.412 -11.318 -5.126 1.00 72.22 H new ATOM 0 HD3 LYS A 37 0.063 -10.384 -6.530 1.00 72.22 H new ATOM 0 HE2 LYS A 37 0.044 -13.437 -6.408 1.00 55.35 H new ATOM 0 HE3 LYS A 37 -1.237 -12.463 -7.103 1.00 55.35 H new ATOM 0 HZ1 LYS A 37 0.179 -13.206 -8.843 1.00 22.50 H new ATOM 0 HZ2 LYS A 37 0.441 -11.539 -8.663 1.00 22.50 H new ATOM 0 HZ3 LYS A 37 1.574 -12.647 -8.053 1.00 22.50 H new ATOM 607 N GLU A 38 4.280 -12.691 -3.523 1.00 25.23 N ATOM 608 CA GLU A 38 4.524 -13.934 -2.772 1.00 61.13 C ATOM 609 C GLU A 38 5.319 -13.657 -1.474 1.00 0.42 C ATOM 610 O GLU A 38 5.078 -14.280 -0.433 1.00 35.44 O ATOM 611 CB GLU A 38 5.314 -14.933 -3.659 1.00 34.24 C ATOM 612 CG GLU A 38 4.749 -15.120 -5.083 1.00 14.33 C ATOM 613 CD GLU A 38 3.290 -15.611 -5.120 1.00 5.34 C ATOM 614 OE1 GLU A 38 3.055 -16.811 -4.874 1.00 33.23 O ATOM 615 OE2 GLU A 38 2.372 -14.802 -5.391 1.00 74.41 O ATOM 0 H GLU A 38 4.738 -12.675 -4.434 1.00 25.23 H new ATOM 0 HA GLU A 38 3.559 -14.361 -2.499 1.00 61.13 H new ATOM 0 HB2 GLU A 38 6.347 -14.592 -3.735 1.00 34.24 H new ATOM 0 HB3 GLU A 38 5.334 -15.902 -3.161 1.00 34.24 H new ATOM 0 HG2 GLU A 38 4.816 -14.172 -5.616 1.00 14.33 H new ATOM 0 HG3 GLU A 38 5.375 -15.833 -5.620 1.00 14.33 H new ATOM 622 N LYS A 39 6.280 -12.716 -1.570 1.00 2.42 N ATOM 623 CA LYS A 39 7.157 -12.328 -0.453 1.00 25.30 C ATOM 624 C LYS A 39 6.512 -11.286 0.473 1.00 22.11 C ATOM 625 O LYS A 39 7.030 -11.070 1.560 1.00 35.33 O ATOM 626 CB LYS A 39 8.496 -11.760 -0.994 1.00 24.21 C ATOM 627 CG LYS A 39 9.401 -12.797 -1.678 1.00 72.14 C ATOM 628 CD LYS A 39 9.784 -13.960 -0.739 1.00 34.45 C ATOM 629 CE LYS A 39 10.838 -14.906 -1.333 1.00 62.02 C ATOM 630 NZ LYS A 39 12.153 -14.236 -1.505 1.00 4.45 N ATOM 0 H LYS A 39 6.468 -12.202 -2.431 1.00 2.42 H new ATOM 0 HA LYS A 39 7.334 -13.231 0.131 1.00 25.30 H new ATOM 0 HB2 LYS A 39 8.277 -10.963 -1.705 1.00 24.21 H new ATOM 0 HB3 LYS A 39 9.044 -11.308 -0.167 1.00 24.21 H new ATOM 0 HG2 LYS A 39 8.892 -13.196 -2.556 1.00 72.14 H new ATOM 0 HG3 LYS A 39 10.308 -12.306 -2.031 1.00 72.14 H new ATOM 0 HD2 LYS A 39 10.162 -13.551 0.198 1.00 34.45 H new ATOM 0 HD3 LYS A 39 8.888 -14.532 -0.499 1.00 34.45 H new ATOM 0 HE2 LYS A 39 10.955 -15.773 -0.682 1.00 62.02 H new ATOM 0 HE3 LYS A 39 10.491 -15.276 -2.298 1.00 62.02 H new ATOM 0 HZ1 LYS A 39 12.872 -14.942 -1.762 1.00 4.45 H new ATOM 0 HZ2 LYS A 39 12.083 -13.523 -2.259 1.00 4.45 H new ATOM 0 HZ3 LYS A 39 12.426 -13.773 -0.614 1.00 4.45 H new ATOM 644 N VAL A 40 5.403 -10.647 0.035 1.00 42.24 N ATOM 645 CA VAL A 40 4.726 -9.583 0.816 1.00 3.15 C ATOM 646 C VAL A 40 4.401 -10.059 2.246 1.00 51.14 C ATOM 647 O VAL A 40 4.697 -9.355 3.213 1.00 74.53 O ATOM 648 CB VAL A 40 3.410 -9.092 0.096 1.00 21.43 C ATOM 649 CG1 VAL A 40 2.524 -8.228 1.020 1.00 65.14 C ATOM 650 CG2 VAL A 40 3.754 -8.317 -1.193 1.00 41.40 C ATOM 0 H VAL A 40 4.956 -10.850 -0.859 1.00 42.24 H new ATOM 0 HA VAL A 40 5.417 -8.743 0.881 1.00 3.15 H new ATOM 0 HB VAL A 40 2.837 -9.982 -0.164 1.00 21.43 H new ATOM 0 HG11 VAL A 40 1.631 -7.915 0.479 1.00 65.14 H new ATOM 0 HG12 VAL A 40 2.233 -8.811 1.894 1.00 65.14 H new ATOM 0 HG13 VAL A 40 3.082 -7.348 1.340 1.00 65.14 H new ATOM 0 HG21 VAL A 40 2.834 -7.987 -1.675 1.00 41.40 H new ATOM 0 HG22 VAL A 40 4.365 -7.449 -0.944 1.00 41.40 H new ATOM 0 HG23 VAL A 40 4.306 -8.967 -1.872 1.00 41.40 H new ATOM 660 N LYS A 41 3.859 -11.282 2.350 1.00 54.03 N ATOM 661 CA LYS A 41 3.486 -11.900 3.627 1.00 35.41 C ATOM 662 C LYS A 41 4.713 -12.053 4.568 1.00 12.15 C ATOM 663 O LYS A 41 4.614 -11.814 5.785 1.00 33.22 O ATOM 664 CB LYS A 41 2.826 -13.273 3.359 1.00 15.53 C ATOM 665 CG LYS A 41 2.355 -13.987 4.635 1.00 55.33 C ATOM 666 CD LYS A 41 1.654 -15.332 4.362 1.00 51.32 C ATOM 667 CE LYS A 41 1.206 -16.010 5.666 1.00 12.22 C ATOM 668 NZ LYS A 41 0.467 -17.274 5.427 1.00 51.44 N ATOM 0 H LYS A 41 3.666 -11.873 1.541 1.00 54.03 H new ATOM 0 HA LYS A 41 2.774 -11.248 4.133 1.00 35.41 H new ATOM 0 HB2 LYS A 41 1.973 -13.134 2.695 1.00 15.53 H new ATOM 0 HB3 LYS A 41 3.537 -13.913 2.836 1.00 15.53 H new ATOM 0 HG2 LYS A 41 3.214 -14.159 5.284 1.00 55.33 H new ATOM 0 HG3 LYS A 41 1.672 -13.333 5.177 1.00 55.33 H new ATOM 0 HD2 LYS A 41 0.788 -15.168 3.720 1.00 51.32 H new ATOM 0 HD3 LYS A 41 2.331 -15.993 3.821 1.00 51.32 H new ATOM 0 HE2 LYS A 41 2.081 -16.216 6.283 1.00 12.22 H new ATOM 0 HE3 LYS A 41 0.573 -15.324 6.229 1.00 12.22 H new ATOM 0 HZ1 LYS A 41 0.188 -17.691 6.338 1.00 51.44 H new ATOM 0 HZ2 LYS A 41 -0.383 -17.077 4.861 1.00 51.44 H new ATOM 0 HZ3 LYS A 41 1.078 -17.941 4.914 1.00 51.44 H new ATOM 682 N GLU A 42 5.868 -12.416 3.975 1.00 72.54 N ATOM 683 CA GLU A 42 7.138 -12.558 4.701 1.00 61.13 C ATOM 684 C GLU A 42 7.608 -11.194 5.217 1.00 2.11 C ATOM 685 O GLU A 42 7.870 -11.031 6.410 1.00 22.13 O ATOM 686 CB GLU A 42 8.243 -13.167 3.795 1.00 63.04 C ATOM 687 CG GLU A 42 7.937 -14.566 3.221 1.00 25.13 C ATOM 688 CD GLU A 42 9.158 -15.241 2.559 1.00 61.52 C ATOM 689 OE1 GLU A 42 10.317 -14.882 2.888 1.00 22.43 O ATOM 690 OE2 GLU A 42 8.963 -16.146 1.716 1.00 24.33 O ATOM 0 H GLU A 42 5.942 -12.618 2.978 1.00 72.54 H new ATOM 0 HA GLU A 42 6.963 -13.232 5.540 1.00 61.13 H new ATOM 0 HB2 GLU A 42 8.424 -12.485 2.965 1.00 63.04 H new ATOM 0 HB3 GLU A 42 9.168 -13.223 4.369 1.00 63.04 H new ATOM 0 HG2 GLU A 42 7.568 -15.206 4.022 1.00 25.13 H new ATOM 0 HG3 GLU A 42 7.136 -14.481 2.487 1.00 25.13 H new ATOM 697 N GLU A 43 7.660 -10.216 4.293 1.00 33.24 N ATOM 698 CA GLU A 43 8.241 -8.890 4.543 1.00 54.33 C ATOM 699 C GLU A 43 7.395 -8.064 5.537 1.00 12.32 C ATOM 700 O GLU A 43 7.928 -7.169 6.183 1.00 32.45 O ATOM 701 CB GLU A 43 8.437 -8.102 3.214 1.00 22.32 C ATOM 702 CG GLU A 43 9.211 -8.845 2.103 1.00 71.24 C ATOM 703 CD GLU A 43 10.552 -9.441 2.559 1.00 21.45 C ATOM 704 OE1 GLU A 43 11.475 -8.671 2.901 1.00 32.04 O ATOM 705 OE2 GLU A 43 10.689 -10.678 2.575 1.00 52.04 O ATOM 0 H GLU A 43 7.297 -10.328 3.347 1.00 33.24 H new ATOM 0 HA GLU A 43 9.218 -9.055 4.997 1.00 54.33 H new ATOM 0 HB2 GLU A 43 7.455 -7.829 2.827 1.00 22.32 H new ATOM 0 HB3 GLU A 43 8.961 -7.173 3.438 1.00 22.32 H new ATOM 0 HG2 GLU A 43 8.584 -9.647 1.713 1.00 71.24 H new ATOM 0 HG3 GLU A 43 9.394 -8.155 1.280 1.00 71.24 H new ATOM 712 N ILE A 44 6.076 -8.353 5.622 1.00 61.21 N ATOM 713 CA ILE A 44 5.178 -7.759 6.636 1.00 63.22 C ATOM 714 C ILE A 44 5.581 -8.244 8.045 1.00 25.15 C ATOM 715 O ILE A 44 5.666 -7.454 8.982 1.00 22.44 O ATOM 716 CB ILE A 44 3.666 -8.121 6.347 1.00 31.23 C ATOM 717 CG1 ILE A 44 3.144 -7.385 5.072 1.00 11.42 C ATOM 718 CG2 ILE A 44 2.753 -7.812 7.563 1.00 40.02 C ATOM 719 CD1 ILE A 44 1.697 -7.694 4.713 1.00 65.54 C ATOM 0 H ILE A 44 5.607 -9.003 4.991 1.00 61.21 H new ATOM 0 HA ILE A 44 5.279 -6.675 6.585 1.00 63.22 H new ATOM 0 HB ILE A 44 3.626 -9.195 6.168 1.00 31.23 H new ATOM 0 HG12 ILE A 44 3.247 -6.310 5.221 1.00 11.42 H new ATOM 0 HG13 ILE A 44 3.780 -7.652 4.228 1.00 11.42 H new ATOM 0 HG21 ILE A 44 1.723 -8.076 7.321 1.00 40.02 H new ATOM 0 HG22 ILE A 44 3.084 -8.393 8.424 1.00 40.02 H new ATOM 0 HG23 ILE A 44 2.809 -6.750 7.800 1.00 40.02 H new ATOM 0 HD11 ILE A 44 1.419 -7.141 3.816 1.00 65.54 H new ATOM 0 HD12 ILE A 44 1.588 -8.763 4.529 1.00 65.54 H new ATOM 0 HD13 ILE A 44 1.047 -7.400 5.537 1.00 65.54 H new ATOM 731 N GLU A 45 5.840 -9.559 8.151 1.00 4.12 N ATOM 732 CA GLU A 45 6.252 -10.213 9.409 1.00 51.24 C ATOM 733 C GLU A 45 7.669 -9.747 9.834 1.00 14.04 C ATOM 734 O GLU A 45 7.963 -9.594 11.028 1.00 50.22 O ATOM 735 CB GLU A 45 6.188 -11.749 9.211 1.00 15.42 C ATOM 736 CG GLU A 45 6.548 -12.591 10.448 1.00 5.22 C ATOM 737 CD GLU A 45 6.387 -14.100 10.223 1.00 34.34 C ATOM 738 OE1 GLU A 45 6.885 -14.614 9.202 1.00 52.23 O ATOM 739 OE2 GLU A 45 5.765 -14.787 11.058 1.00 75.14 O ATOM 0 H GLU A 45 5.769 -10.203 7.363 1.00 4.12 H new ATOM 0 HA GLU A 45 5.575 -9.930 10.215 1.00 51.24 H new ATOM 0 HB2 GLU A 45 5.180 -12.015 8.892 1.00 15.42 H new ATOM 0 HB3 GLU A 45 6.862 -12.022 8.399 1.00 15.42 H new ATOM 0 HG2 GLU A 45 7.579 -12.381 10.734 1.00 5.22 H new ATOM 0 HG3 GLU A 45 5.917 -12.286 11.283 1.00 5.22 H new ATOM 746 N LYS A 46 8.521 -9.485 8.829 1.00 43.24 N ATOM 747 CA LYS A 46 9.896 -8.988 9.027 1.00 53.03 C ATOM 748 C LYS A 46 9.881 -7.503 9.436 1.00 64.44 C ATOM 749 O LYS A 46 10.640 -7.086 10.317 1.00 54.13 O ATOM 750 CB LYS A 46 10.713 -9.216 7.724 1.00 52.31 C ATOM 751 CG LYS A 46 10.887 -10.711 7.370 1.00 50.41 C ATOM 752 CD LYS A 46 11.446 -10.952 5.949 1.00 31.30 C ATOM 753 CE LYS A 46 11.563 -12.454 5.613 1.00 65.21 C ATOM 754 NZ LYS A 46 11.935 -12.697 4.192 1.00 24.01 N ATOM 0 H LYS A 46 8.274 -9.613 7.848 1.00 43.24 H new ATOM 0 HA LYS A 46 10.373 -9.539 9.837 1.00 53.03 H new ATOM 0 HB2 LYS A 46 10.216 -8.709 6.897 1.00 52.31 H new ATOM 0 HB3 LYS A 46 11.696 -8.758 7.834 1.00 52.31 H new ATOM 0 HG2 LYS A 46 11.556 -11.172 8.097 1.00 50.41 H new ATOM 0 HG3 LYS A 46 9.923 -11.212 7.461 1.00 50.41 H new ATOM 0 HD2 LYS A 46 10.797 -10.468 5.219 1.00 31.30 H new ATOM 0 HD3 LYS A 46 12.427 -10.485 5.863 1.00 31.30 H new ATOM 0 HE2 LYS A 46 12.309 -12.911 6.263 1.00 65.21 H new ATOM 0 HE3 LYS A 46 10.613 -12.945 5.825 1.00 65.21 H new ATOM 0 HZ1 LYS A 46 11.514 -13.592 3.871 1.00 24.01 H new ATOM 0 HZ2 LYS A 46 11.581 -11.917 3.602 1.00 24.01 H new ATOM 0 HZ3 LYS A 46 12.970 -12.752 4.109 1.00 24.01 H new ATOM 768 N ALA A 47 8.982 -6.722 8.808 1.00 12.20 N ATOM 769 CA ALA A 47 8.786 -5.291 9.124 1.00 51.23 C ATOM 770 C ALA A 47 8.123 -5.119 10.496 1.00 31.51 C ATOM 771 O ALA A 47 8.367 -4.135 11.180 1.00 13.43 O ATOM 772 CB ALA A 47 7.967 -4.605 8.025 1.00 52.10 C ATOM 0 H ALA A 47 8.370 -7.064 8.067 1.00 12.20 H new ATOM 0 HA ALA A 47 9.764 -4.812 9.166 1.00 51.23 H new ATOM 0 HB1 ALA A 47 7.833 -3.552 8.275 1.00 52.10 H new ATOM 0 HB2 ALA A 47 8.493 -4.688 7.074 1.00 52.10 H new ATOM 0 HB3 ALA A 47 6.992 -5.086 7.944 1.00 52.10 H new ATOM 778 N ARG A 48 7.281 -6.098 10.872 1.00 14.22 N ATOM 779 CA ARG A 48 6.667 -6.190 12.212 1.00 50.34 C ATOM 780 C ARG A 48 7.758 -6.255 13.301 1.00 50.44 C ATOM 781 O ARG A 48 7.712 -5.519 14.296 1.00 42.55 O ATOM 782 CB ARG A 48 5.784 -7.472 12.281 1.00 4.31 C ATOM 783 CG ARG A 48 5.177 -7.784 13.668 1.00 34.01 C ATOM 784 CD ARG A 48 4.511 -9.168 13.739 1.00 32.23 C ATOM 785 NE ARG A 48 3.919 -9.439 15.065 1.00 12.44 N ATOM 786 CZ ARG A 48 3.060 -10.438 15.345 1.00 13.30 C ATOM 787 NH1 ARG A 48 2.669 -11.294 14.398 1.00 60.51 N ATOM 788 NH2 ARG A 48 2.594 -10.570 16.583 1.00 10.14 N ATOM 0 H ARG A 48 7.004 -6.856 10.249 1.00 14.22 H new ATOM 0 HA ARG A 48 6.054 -5.305 12.385 1.00 50.34 H new ATOM 0 HB2 ARG A 48 4.971 -7.372 11.561 1.00 4.31 H new ATOM 0 HB3 ARG A 48 6.386 -8.325 11.966 1.00 4.31 H new ATOM 0 HG2 ARG A 48 5.962 -7.726 14.422 1.00 34.01 H new ATOM 0 HG3 ARG A 48 4.440 -7.020 13.915 1.00 34.01 H new ATOM 0 HD2 ARG A 48 3.735 -9.234 12.977 1.00 32.23 H new ATOM 0 HD3 ARG A 48 5.250 -9.936 13.510 1.00 32.23 H new ATOM 0 HE ARG A 48 4.182 -8.819 15.831 1.00 12.44 H new ATOM 0 HH11 ARG A 48 3.021 -11.197 13.446 1.00 60.51 H new ATOM 0 HH12 ARG A 48 2.018 -12.045 14.627 1.00 60.51 H new ATOM 0 HH21 ARG A 48 2.887 -9.918 17.311 1.00 10.14 H new ATOM 0 HH22 ARG A 48 1.943 -11.323 16.805 1.00 10.14 H new ATOM 802 N LYS A 49 8.740 -7.145 13.068 1.00 23.24 N ATOM 803 CA LYS A 49 9.840 -7.418 14.008 1.00 15.40 C ATOM 804 C LYS A 49 10.783 -6.199 14.102 1.00 55.30 C ATOM 805 O LYS A 49 11.251 -5.843 15.187 1.00 64.40 O ATOM 806 CB LYS A 49 10.598 -8.703 13.535 1.00 3.34 C ATOM 807 CG LYS A 49 11.526 -9.390 14.583 1.00 61.24 C ATOM 808 CD LYS A 49 12.895 -8.689 14.783 1.00 73.12 C ATOM 809 CE LYS A 49 13.835 -9.489 15.695 1.00 72.31 C ATOM 810 NZ LYS A 49 14.231 -10.790 15.084 1.00 44.34 N ATOM 0 H LYS A 49 8.792 -7.700 12.213 1.00 23.24 H new ATOM 0 HA LYS A 49 9.444 -7.593 15.008 1.00 15.40 H new ATOM 0 HB2 LYS A 49 9.859 -9.432 13.204 1.00 3.34 H new ATOM 0 HB3 LYS A 49 11.201 -8.443 12.665 1.00 3.34 H new ATOM 0 HG2 LYS A 49 11.007 -9.427 15.541 1.00 61.24 H new ATOM 0 HG3 LYS A 49 11.701 -10.421 14.275 1.00 61.24 H new ATOM 0 HD2 LYS A 49 13.371 -8.544 13.813 1.00 73.12 H new ATOM 0 HD3 LYS A 49 12.734 -7.699 15.210 1.00 73.12 H new ATOM 0 HE2 LYS A 49 14.728 -8.899 15.903 1.00 72.31 H new ATOM 0 HE3 LYS A 49 13.344 -9.672 16.651 1.00 72.31 H new ATOM 0 HZ1 LYS A 49 15.015 -11.205 15.628 1.00 44.34 H new ATOM 0 HZ2 LYS A 49 13.419 -11.440 15.096 1.00 44.34 H new ATOM 0 HZ3 LYS A 49 14.535 -10.634 14.102 1.00 44.34 H new ATOM 824 N GLN A 50 11.044 -5.568 12.950 1.00 10.03 N ATOM 825 CA GLN A 50 11.976 -4.428 12.843 1.00 23.11 C ATOM 826 C GLN A 50 11.275 -3.088 13.144 1.00 4.03 C ATOM 827 O GLN A 50 11.948 -2.058 13.280 1.00 41.33 O ATOM 828 CB GLN A 50 12.620 -4.424 11.428 1.00 10.42 C ATOM 829 CG GLN A 50 13.459 -5.686 11.105 1.00 41.41 C ATOM 830 CD GLN A 50 14.649 -5.918 12.051 1.00 32.11 C ATOM 831 OE1 GLN A 50 15.247 -4.978 12.574 1.00 33.01 O ATOM 832 NE2 GLN A 50 15.004 -7.175 12.274 1.00 64.42 N ATOM 0 H GLN A 50 10.616 -5.831 12.062 1.00 10.03 H new ATOM 0 HA GLN A 50 12.759 -4.544 13.592 1.00 23.11 H new ATOM 0 HB2 GLN A 50 11.831 -4.326 10.683 1.00 10.42 H new ATOM 0 HB3 GLN A 50 13.257 -3.545 11.334 1.00 10.42 H new ATOM 0 HG2 GLN A 50 12.807 -6.559 11.140 1.00 41.41 H new ATOM 0 HG3 GLN A 50 13.832 -5.607 10.084 1.00 41.41 H new ATOM 0 HE21 GLN A 50 14.492 -7.936 11.828 1.00 64.42 H new ATOM 0 HE22 GLN A 50 15.789 -7.381 12.891 1.00 64.42 H new ATOM 841 N GLY A 51 9.925 -3.122 13.246 1.00 45.44 N ATOM 842 CA GLY A 51 9.105 -1.927 13.480 1.00 50.15 C ATOM 843 C GLY A 51 9.009 -0.998 12.272 1.00 32.13 C ATOM 844 O GLY A 51 8.564 0.145 12.406 1.00 12.41 O ATOM 0 H GLY A 51 9.382 -3.982 13.167 1.00 45.44 H new ATOM 0 HA2 GLY A 51 8.101 -2.238 13.768 1.00 50.15 H new ATOM 0 HA3 GLY A 51 9.520 -1.372 14.321 1.00 50.15 H new ATOM 848 N ARG A 52 9.416 -1.504 11.099 1.00 51.20 N ATOM 849 CA ARG A 52 9.485 -0.732 9.852 1.00 4.10 C ATOM 850 C ARG A 52 8.097 -0.610 9.196 1.00 51.03 C ATOM 851 O ARG A 52 7.288 -1.546 9.279 1.00 53.53 O ATOM 852 CB ARG A 52 10.474 -1.419 8.860 1.00 62.42 C ATOM 853 CG ARG A 52 11.973 -1.344 9.260 1.00 53.13 C ATOM 854 CD ARG A 52 12.633 0.014 8.931 1.00 61.31 C ATOM 855 NE ARG A 52 12.073 1.159 9.686 1.00 3.34 N ATOM 856 CZ ARG A 52 11.873 2.398 9.193 1.00 31.25 C ATOM 857 NH1 ARG A 52 12.156 2.687 7.927 1.00 54.15 N ATOM 858 NH2 ARG A 52 11.391 3.348 9.982 1.00 13.10 N ATOM 0 H ARG A 52 9.710 -2.474 10.989 1.00 51.20 H new ATOM 0 HA ARG A 52 9.840 0.270 10.092 1.00 4.10 H new ATOM 0 HB2 ARG A 52 10.193 -2.468 8.760 1.00 62.42 H new ATOM 0 HB3 ARG A 52 10.354 -0.962 7.878 1.00 62.42 H new ATOM 0 HG2 ARG A 52 12.065 -1.534 10.329 1.00 53.13 H new ATOM 0 HG3 ARG A 52 12.518 -2.137 8.747 1.00 53.13 H new ATOM 0 HD2 ARG A 52 13.701 -0.055 9.136 1.00 61.31 H new ATOM 0 HD3 ARG A 52 12.525 0.209 7.864 1.00 61.31 H new ATOM 0 HE ARG A 52 11.817 0.997 10.660 1.00 3.34 H new ATOM 0 HH11 ARG A 52 12.531 1.966 7.311 1.00 54.15 H new ATOM 0 HH12 ARG A 52 11.998 3.630 7.572 1.00 54.15 H new ATOM 0 HH21 ARG A 52 11.173 3.140 10.957 1.00 13.10 H new ATOM 0 HH22 ARG A 52 11.238 4.287 9.615 1.00 13.10 H new ATOM 872 N PRO A 53 7.791 0.561 8.553 1.00 62.51 N ATOM 873 CA PRO A 53 6.702 0.647 7.574 1.00 23.12 C ATOM 874 C PRO A 53 7.120 -0.040 6.257 1.00 71.55 C ATOM 875 O PRO A 53 8.258 0.124 5.785 1.00 53.02 O ATOM 876 CB PRO A 53 6.480 2.168 7.400 1.00 44.31 C ATOM 877 CG PRO A 53 7.800 2.794 7.737 1.00 41.03 C ATOM 878 CD PRO A 53 8.440 1.882 8.767 1.00 73.25 C ATOM 0 HA PRO A 53 5.788 0.143 7.888 1.00 23.12 H new ATOM 0 HB2 PRO A 53 6.178 2.409 6.381 1.00 44.31 H new ATOM 0 HB3 PRO A 53 5.692 2.530 8.060 1.00 44.31 H new ATOM 0 HG2 PRO A 53 8.428 2.884 6.850 1.00 41.03 H new ATOM 0 HG3 PRO A 53 7.665 3.800 8.135 1.00 41.03 H new ATOM 0 HD2 PRO A 53 9.519 1.821 8.626 1.00 73.25 H new ATOM 0 HD3 PRO A 53 8.271 2.247 9.780 1.00 73.25 H new ATOM 886 N ILE A 54 6.217 -0.845 5.704 1.00 72.42 N ATOM 887 CA ILE A 54 6.432 -1.539 4.431 1.00 2.40 C ATOM 888 C ILE A 54 5.377 -1.070 3.421 1.00 11.45 C ATOM 889 O ILE A 54 4.180 -1.177 3.675 1.00 22.33 O ATOM 890 CB ILE A 54 6.391 -3.111 4.609 1.00 5.22 C ATOM 891 CG1 ILE A 54 6.393 -3.834 3.219 1.00 25.31 C ATOM 892 CG2 ILE A 54 5.198 -3.553 5.482 1.00 22.14 C ATOM 893 CD1 ILE A 54 6.243 -5.342 3.280 1.00 43.35 C ATOM 0 H ILE A 54 5.309 -1.037 6.127 1.00 72.42 H new ATOM 0 HA ILE A 54 7.426 -1.292 4.058 1.00 2.40 H new ATOM 0 HB ILE A 54 7.297 -3.409 5.136 1.00 5.22 H new ATOM 0 HG12 ILE A 54 5.583 -3.428 2.614 1.00 25.31 H new ATOM 0 HG13 ILE A 54 7.324 -3.597 2.705 1.00 25.31 H new ATOM 0 HG21 ILE A 54 5.203 -4.638 5.582 1.00 22.14 H new ATOM 0 HG22 ILE A 54 5.281 -3.097 6.469 1.00 22.14 H new ATOM 0 HG23 ILE A 54 4.267 -3.236 5.013 1.00 22.14 H new ATOM 0 HD11 ILE A 54 6.256 -5.750 2.269 1.00 43.35 H new ATOM 0 HD12 ILE A 54 7.067 -5.767 3.853 1.00 43.35 H new ATOM 0 HD13 ILE A 54 5.298 -5.594 3.761 1.00 43.35 H new ATOM 905 N VAL A 55 5.835 -0.531 2.284 1.00 71.25 N ATOM 906 CA VAL A 55 4.958 -0.151 1.181 1.00 62.24 C ATOM 907 C VAL A 55 4.921 -1.292 0.151 1.00 33.14 C ATOM 908 O VAL A 55 5.871 -1.520 -0.597 1.00 60.13 O ATOM 909 CB VAL A 55 5.412 1.189 0.506 1.00 72.13 C ATOM 910 CG1 VAL A 55 4.478 1.558 -0.664 1.00 33.00 C ATOM 911 CG2 VAL A 55 5.475 2.331 1.545 1.00 72.40 C ATOM 0 H VAL A 55 6.823 -0.348 2.108 1.00 71.25 H new ATOM 0 HA VAL A 55 3.958 0.019 1.579 1.00 62.24 H new ATOM 0 HB VAL A 55 6.414 1.044 0.102 1.00 72.13 H new ATOM 0 HG11 VAL A 55 4.813 2.491 -1.117 1.00 33.00 H new ATOM 0 HG12 VAL A 55 4.499 0.764 -1.411 1.00 33.00 H new ATOM 0 HG13 VAL A 55 3.460 1.680 -0.293 1.00 33.00 H new ATOM 0 HG21 VAL A 55 5.792 3.252 1.055 1.00 72.40 H new ATOM 0 HG22 VAL A 55 4.489 2.476 1.986 1.00 72.40 H new ATOM 0 HG23 VAL A 55 6.188 2.072 2.327 1.00 72.40 H new ATOM 921 N VAL A 56 3.807 -2.003 0.153 1.00 55.43 N ATOM 922 CA VAL A 56 3.492 -3.071 -0.795 1.00 62.02 C ATOM 923 C VAL A 56 2.815 -2.472 -2.029 1.00 71.44 C ATOM 924 O VAL A 56 2.038 -1.534 -1.908 1.00 31.44 O ATOM 925 CB VAL A 56 2.529 -4.106 -0.118 1.00 50.01 C ATOM 926 CG1 VAL A 56 2.059 -5.206 -1.099 1.00 13.11 C ATOM 927 CG2 VAL A 56 3.203 -4.711 1.133 1.00 24.32 C ATOM 0 H VAL A 56 3.066 -1.851 0.838 1.00 55.43 H new ATOM 0 HA VAL A 56 4.411 -3.575 -1.094 1.00 62.02 H new ATOM 0 HB VAL A 56 1.629 -3.573 0.190 1.00 50.01 H new ATOM 0 HG11 VAL A 56 1.394 -5.897 -0.580 1.00 13.11 H new ATOM 0 HG12 VAL A 56 1.527 -4.747 -1.932 1.00 13.11 H new ATOM 0 HG13 VAL A 56 2.924 -5.750 -1.477 1.00 13.11 H new ATOM 0 HG21 VAL A 56 2.528 -5.429 1.598 1.00 24.32 H new ATOM 0 HG22 VAL A 56 4.125 -5.215 0.842 1.00 24.32 H new ATOM 0 HG23 VAL A 56 3.433 -3.916 1.843 1.00 24.32 H new ATOM 937 N PHE A 57 3.151 -2.987 -3.215 1.00 25.33 N ATOM 938 CA PHE A 57 2.514 -2.584 -4.475 1.00 24.02 C ATOM 939 C PHE A 57 1.692 -3.760 -5.015 1.00 32.11 C ATOM 940 O PHE A 57 2.178 -4.892 -5.091 1.00 14.41 O ATOM 941 CB PHE A 57 3.590 -2.112 -5.471 1.00 14.43 C ATOM 942 CG PHE A 57 4.352 -0.884 -4.963 1.00 73.24 C ATOM 943 CD1 PHE A 57 3.759 0.385 -4.998 1.00 64.53 C ATOM 944 CD2 PHE A 57 5.635 -0.995 -4.424 1.00 64.24 C ATOM 945 CE1 PHE A 57 4.430 1.496 -4.516 1.00 13.15 C ATOM 946 CE2 PHE A 57 6.300 0.117 -3.945 1.00 31.32 C ATOM 947 CZ PHE A 57 5.699 1.360 -3.993 1.00 23.32 C ATOM 0 H PHE A 57 3.874 -3.697 -3.330 1.00 25.33 H new ATOM 0 HA PHE A 57 1.835 -1.747 -4.315 1.00 24.02 H new ATOM 0 HB2 PHE A 57 4.294 -2.924 -5.654 1.00 14.43 H new ATOM 0 HB3 PHE A 57 3.120 -1.876 -6.426 1.00 14.43 H new ATOM 0 HD1 PHE A 57 2.766 0.498 -5.406 1.00 64.53 H new ATOM 0 HD2 PHE A 57 6.114 -1.962 -4.381 1.00 64.24 H new ATOM 0 HE1 PHE A 57 3.960 2.468 -4.549 1.00 13.15 H new ATOM 0 HE2 PHE A 57 7.293 0.014 -3.532 1.00 31.32 H new ATOM 0 HZ PHE A 57 6.224 2.227 -3.620 1.00 23.32 H new ATOM 957 N VAL A 58 0.435 -3.466 -5.367 1.00 13.21 N ATOM 958 CA VAL A 58 -0.569 -4.449 -5.801 1.00 31.31 C ATOM 959 C VAL A 58 -1.081 -4.030 -7.194 1.00 74.51 C ATOM 960 O VAL A 58 -1.382 -2.859 -7.402 1.00 43.55 O ATOM 961 CB VAL A 58 -1.752 -4.489 -4.762 1.00 2.42 C ATOM 962 CG1 VAL A 58 -2.881 -5.426 -5.216 1.00 63.43 C ATOM 963 CG2 VAL A 58 -1.251 -4.881 -3.350 1.00 22.00 C ATOM 0 H VAL A 58 0.076 -2.511 -5.358 1.00 13.21 H new ATOM 0 HA VAL A 58 -0.132 -5.446 -5.857 1.00 31.31 H new ATOM 0 HB VAL A 58 -2.161 -3.480 -4.710 1.00 2.42 H new ATOM 0 HG11 VAL A 58 -3.677 -5.424 -4.471 1.00 63.43 H new ATOM 0 HG12 VAL A 58 -3.277 -5.082 -6.171 1.00 63.43 H new ATOM 0 HG13 VAL A 58 -2.491 -6.438 -5.328 1.00 63.43 H new ATOM 0 HG21 VAL A 58 -2.092 -4.899 -2.657 1.00 22.00 H new ATOM 0 HG22 VAL A 58 -0.791 -5.868 -3.388 1.00 22.00 H new ATOM 0 HG23 VAL A 58 -0.516 -4.152 -3.009 1.00 22.00 H new ATOM 973 N ARG A 59 -1.181 -4.981 -8.138 1.00 2.31 N ATOM 974 CA ARG A 59 -1.477 -4.676 -9.555 1.00 53.23 C ATOM 975 C ARG A 59 -2.998 -4.795 -9.812 1.00 30.12 C ATOM 976 O ARG A 59 -3.466 -5.804 -10.343 1.00 3.44 O ATOM 977 CB ARG A 59 -0.630 -5.631 -10.459 1.00 71.43 C ATOM 978 CG ARG A 59 -0.309 -5.146 -11.900 1.00 42.42 C ATOM 979 CD ARG A 59 -1.496 -5.195 -12.885 1.00 25.24 C ATOM 980 NE ARG A 59 -1.058 -4.897 -14.265 1.00 4.44 N ATOM 981 CZ ARG A 59 -0.730 -5.816 -15.188 1.00 72.25 C ATOM 982 NH1 ARG A 59 -0.788 -7.112 -14.916 1.00 63.30 N ATOM 983 NH2 ARG A 59 -0.321 -5.434 -16.390 1.00 41.24 N ATOM 0 H ARG A 59 -1.061 -5.976 -7.947 1.00 2.31 H new ATOM 0 HA ARG A 59 -1.200 -3.651 -9.800 1.00 53.23 H new ATOM 0 HB2 ARG A 59 0.314 -5.828 -9.951 1.00 71.43 H new ATOM 0 HB3 ARG A 59 -1.157 -6.582 -10.532 1.00 71.43 H new ATOM 0 HG2 ARG A 59 0.059 -4.121 -11.849 1.00 42.42 H new ATOM 0 HG3 ARG A 59 0.501 -5.756 -12.300 1.00 42.42 H new ATOM 0 HD2 ARG A 59 -1.958 -6.181 -12.852 1.00 25.24 H new ATOM 0 HD3 ARG A 59 -2.256 -4.476 -12.579 1.00 25.24 H new ATOM 0 HE ARG A 59 -1.000 -3.916 -14.538 1.00 4.44 H new ATOM 0 HH11 ARG A 59 -1.086 -7.426 -13.992 1.00 63.30 H new ATOM 0 HH12 ARG A 59 -0.535 -7.795 -15.630 1.00 63.30 H new ATOM 0 HH21 ARG A 59 -0.255 -4.441 -16.615 1.00 41.24 H new ATOM 0 HH22 ARG A 59 -0.072 -6.133 -17.090 1.00 41.24 H new ATOM 997 N GLY A 60 -3.743 -3.768 -9.350 1.00 51.11 N ATOM 998 CA GLY A 60 -5.173 -3.582 -9.644 1.00 62.15 C ATOM 999 C GLY A 60 -6.083 -4.767 -9.303 1.00 65.53 C ATOM 1000 O GLY A 60 -6.678 -4.813 -8.222 1.00 3.51 O ATOM 0 H GLY A 60 -3.358 -3.036 -8.753 1.00 51.11 H new ATOM 0 HA2 GLY A 60 -5.526 -2.708 -9.097 1.00 62.15 H new ATOM 0 HA3 GLY A 60 -5.280 -3.359 -10.706 1.00 62.15 H new ATOM 1004 N GLY A 61 -6.174 -5.725 -10.261 1.00 22.01 N ATOM 1005 CA GLY A 61 -7.018 -6.922 -10.142 1.00 52.13 C ATOM 1006 C GLY A 61 -6.638 -7.864 -8.994 1.00 62.42 C ATOM 1007 O GLY A 61 -7.435 -8.731 -8.630 1.00 51.52 O ATOM 0 H GLY A 61 -5.657 -5.680 -11.139 1.00 22.01 H new ATOM 0 HA2 GLY A 61 -8.053 -6.608 -10.008 1.00 52.13 H new ATOM 0 HA3 GLY A 61 -6.972 -7.477 -11.079 1.00 52.13 H new ATOM 1011 N ASP A 62 -5.426 -7.685 -8.400 1.00 24.21 N ATOM 1012 CA ASP A 62 -5.006 -8.409 -7.167 1.00 63.02 C ATOM 1013 C ASP A 62 -5.697 -7.818 -5.901 1.00 74.15 C ATOM 1014 O ASP A 62 -5.262 -8.093 -4.781 1.00 73.54 O ATOM 1015 CB ASP A 62 -3.458 -8.348 -6.988 1.00 55.44 C ATOM 1016 CG ASP A 62 -2.651 -8.980 -8.124 1.00 52.40 C ATOM 1017 OD1 ASP A 62 -2.362 -10.187 -8.064 1.00 33.20 O ATOM 1018 OD2 ASP A 62 -2.322 -8.271 -9.087 1.00 31.50 O ATOM 0 H ASP A 62 -4.720 -7.042 -8.758 1.00 24.21 H new ATOM 0 HA ASP A 62 -5.314 -9.448 -7.282 1.00 63.02 H new ATOM 0 HB2 ASP A 62 -3.160 -7.304 -6.887 1.00 55.44 H new ATOM 0 HB3 ASP A 62 -3.195 -8.846 -6.055 1.00 55.44 H new ATOM 1023 N ASP A 63 -6.774 -7.020 -6.115 1.00 44.31 N ATOM 1024 CA ASP A 63 -7.611 -6.378 -5.073 1.00 52.53 C ATOM 1025 C ASP A 63 -8.090 -7.382 -4.010 1.00 62.14 C ATOM 1026 O ASP A 63 -8.003 -7.116 -2.799 1.00 43.24 O ATOM 1027 CB ASP A 63 -8.837 -5.724 -5.779 1.00 33.02 C ATOM 1028 CG ASP A 63 -9.757 -4.931 -4.829 1.00 74.42 C ATOM 1029 OD1 ASP A 63 -9.507 -3.728 -4.620 1.00 62.42 O ATOM 1030 OD2 ASP A 63 -10.735 -5.506 -4.276 1.00 33.30 O ATOM 0 H ASP A 63 -7.095 -6.798 -7.057 1.00 44.31 H new ATOM 0 HA ASP A 63 -7.013 -5.631 -4.552 1.00 52.53 H new ATOM 0 HB2 ASP A 63 -8.479 -5.057 -6.563 1.00 33.02 H new ATOM 0 HB3 ASP A 63 -9.421 -6.504 -6.267 1.00 33.02 H new ATOM 1035 N GLU A 64 -8.575 -8.538 -4.502 1.00 4.25 N ATOM 1036 CA GLU A 64 -9.086 -9.643 -3.673 1.00 11.44 C ATOM 1037 C GLU A 64 -7.998 -10.172 -2.726 1.00 0.24 C ATOM 1038 O GLU A 64 -8.266 -10.482 -1.571 1.00 12.45 O ATOM 1039 CB GLU A 64 -9.602 -10.795 -4.574 1.00 43.15 C ATOM 1040 CG GLU A 64 -10.724 -10.390 -5.545 1.00 73.25 C ATOM 1041 CD GLU A 64 -11.207 -11.560 -6.410 1.00 72.13 C ATOM 1042 OE1 GLU A 64 -10.474 -11.962 -7.333 1.00 3.03 O ATOM 1043 OE2 GLU A 64 -12.309 -12.091 -6.168 1.00 60.33 O ATOM 0 H GLU A 64 -8.623 -8.732 -5.502 1.00 4.25 H new ATOM 0 HA GLU A 64 -9.910 -9.259 -3.072 1.00 11.44 H new ATOM 0 HB2 GLU A 64 -8.766 -11.192 -5.150 1.00 43.15 H new ATOM 0 HB3 GLU A 64 -9.963 -11.603 -3.938 1.00 43.15 H new ATOM 0 HG2 GLU A 64 -11.565 -9.992 -4.977 1.00 73.25 H new ATOM 0 HG3 GLU A 64 -10.368 -9.588 -6.192 1.00 73.25 H new ATOM 1050 N ARG A 65 -6.767 -10.238 -3.248 1.00 60.33 N ATOM 1051 CA ARG A 65 -5.592 -10.742 -2.525 1.00 45.22 C ATOM 1052 C ARG A 65 -5.068 -9.688 -1.536 1.00 0.22 C ATOM 1053 O ARG A 65 -4.641 -10.021 -0.435 1.00 40.11 O ATOM 1054 CB ARG A 65 -4.497 -11.139 -3.559 1.00 41.12 C ATOM 1055 CG ARG A 65 -4.974 -12.211 -4.576 1.00 52.11 C ATOM 1056 CD ARG A 65 -3.998 -12.435 -5.751 1.00 43.14 C ATOM 1057 NE ARG A 65 -4.528 -13.436 -6.702 1.00 5.21 N ATOM 1058 CZ ARG A 65 -4.625 -13.292 -8.033 1.00 1.44 C ATOM 1059 NH1 ARG A 65 -4.232 -12.172 -8.634 1.00 54.32 N ATOM 1060 NH2 ARG A 65 -5.154 -14.280 -8.746 1.00 52.14 N ATOM 0 H ARG A 65 -6.556 -9.938 -4.200 1.00 60.33 H new ATOM 0 HA ARG A 65 -5.869 -11.621 -1.943 1.00 45.22 H new ATOM 0 HB2 ARG A 65 -4.180 -10.249 -4.102 1.00 41.12 H new ATOM 0 HB3 ARG A 65 -3.624 -11.516 -3.027 1.00 41.12 H new ATOM 0 HG2 ARG A 65 -5.120 -13.156 -4.052 1.00 52.11 H new ATOM 0 HG3 ARG A 65 -5.944 -11.914 -4.974 1.00 52.11 H new ATOM 0 HD2 ARG A 65 -3.826 -11.492 -6.270 1.00 43.14 H new ATOM 0 HD3 ARG A 65 -3.034 -12.768 -5.368 1.00 43.14 H new ATOM 0 HE ARG A 65 -4.851 -14.320 -6.309 1.00 5.21 H new ATOM 0 HH11 ARG A 65 -3.849 -11.404 -8.082 1.00 54.32 H new ATOM 0 HH12 ARG A 65 -4.313 -12.081 -9.647 1.00 54.32 H new ATOM 0 HH21 ARG A 65 -5.477 -15.128 -8.281 1.00 52.14 H new ATOM 0 HH22 ARG A 65 -5.237 -14.190 -9.759 1.00 52.14 H new ATOM 1074 N ALA A 66 -5.170 -8.412 -1.936 1.00 45.34 N ATOM 1075 CA ALA A 66 -4.647 -7.269 -1.167 1.00 4.41 C ATOM 1076 C ALA A 66 -5.376 -7.094 0.173 1.00 54.55 C ATOM 1077 O ALA A 66 -4.769 -6.673 1.152 1.00 43.40 O ATOM 1078 CB ALA A 66 -4.752 -5.995 -2.006 1.00 3.44 C ATOM 0 H ALA A 66 -5.621 -8.140 -2.809 1.00 45.34 H new ATOM 0 HA ALA A 66 -3.601 -7.469 -0.937 1.00 4.41 H new ATOM 0 HB1 ALA A 66 -4.365 -5.151 -1.436 1.00 3.44 H new ATOM 0 HB2 ALA A 66 -4.170 -6.113 -2.920 1.00 3.44 H new ATOM 0 HB3 ALA A 66 -5.796 -5.812 -2.261 1.00 3.44 H new ATOM 1084 N LYS A 67 -6.683 -7.405 0.193 1.00 51.30 N ATOM 1085 CA LYS A 67 -7.506 -7.313 1.415 1.00 75.44 C ATOM 1086 C LYS A 67 -7.254 -8.503 2.373 1.00 25.32 C ATOM 1087 O LYS A 67 -7.445 -8.372 3.590 1.00 54.24 O ATOM 1088 CB LYS A 67 -8.999 -7.174 1.043 1.00 50.44 C ATOM 1089 CG LYS A 67 -9.591 -8.401 0.331 1.00 24.11 C ATOM 1090 CD LYS A 67 -10.997 -8.153 -0.251 1.00 33.43 C ATOM 1091 CE LYS A 67 -10.997 -7.167 -1.424 1.00 31.43 C ATOM 1092 NZ LYS A 67 -12.352 -6.968 -1.996 1.00 35.22 N ATOM 0 H LYS A 67 -7.197 -7.725 -0.628 1.00 51.30 H new ATOM 0 HA LYS A 67 -7.208 -6.417 1.959 1.00 75.44 H new ATOM 0 HB2 LYS A 67 -9.571 -6.984 1.951 1.00 50.44 H new ATOM 0 HB3 LYS A 67 -9.122 -6.302 0.401 1.00 50.44 H new ATOM 0 HG2 LYS A 67 -8.921 -8.703 -0.474 1.00 24.11 H new ATOM 0 HG3 LYS A 67 -9.639 -9.232 1.035 1.00 24.11 H new ATOM 0 HD2 LYS A 67 -11.419 -9.102 -0.582 1.00 33.43 H new ATOM 0 HD3 LYS A 67 -11.647 -7.772 0.536 1.00 33.43 H new ATOM 0 HE2 LYS A 67 -10.603 -6.208 -1.089 1.00 31.43 H new ATOM 0 HE3 LYS A 67 -10.327 -7.533 -2.202 1.00 31.43 H new ATOM 0 HZ1 LYS A 67 -12.277 -6.815 -3.022 1.00 35.22 H new ATOM 0 HZ2 LYS A 67 -12.933 -7.811 -1.813 1.00 35.22 H new ATOM 0 HZ3 LYS A 67 -12.797 -6.138 -1.554 1.00 35.22 H new ATOM 1106 N ASP A 68 -6.847 -9.666 1.811 1.00 3.42 N ATOM 1107 CA ASP A 68 -6.364 -10.821 2.612 1.00 60.24 C ATOM 1108 C ASP A 68 -5.008 -10.484 3.260 1.00 4.04 C ATOM 1109 O ASP A 68 -4.747 -10.841 4.416 1.00 1.42 O ATOM 1110 CB ASP A 68 -6.213 -12.102 1.745 1.00 43.14 C ATOM 1111 CG ASP A 68 -7.549 -12.679 1.248 1.00 24.23 C ATOM 1112 OD1 ASP A 68 -8.352 -13.133 2.084 1.00 3.41 O ATOM 1113 OD2 ASP A 68 -7.792 -12.723 0.028 1.00 3.23 O ATOM 0 H ASP A 68 -6.843 -9.831 0.804 1.00 3.42 H new ATOM 0 HA ASP A 68 -7.109 -11.017 3.383 1.00 60.24 H new ATOM 0 HB2 ASP A 68 -5.584 -11.874 0.884 1.00 43.14 H new ATOM 0 HB3 ASP A 68 -5.694 -12.863 2.327 1.00 43.14 H new ATOM 1118 N ILE A 69 -4.160 -9.793 2.478 1.00 53.33 N ATOM 1119 CA ILE A 69 -2.860 -9.268 2.924 1.00 33.04 C ATOM 1120 C ILE A 69 -3.076 -8.164 3.991 1.00 1.41 C ATOM 1121 O ILE A 69 -2.301 -8.045 4.944 1.00 23.01 O ATOM 1122 CB ILE A 69 -2.052 -8.714 1.681 1.00 43.33 C ATOM 1123 CG1 ILE A 69 -1.650 -9.876 0.707 1.00 32.34 C ATOM 1124 CG2 ILE A 69 -0.817 -7.906 2.113 1.00 52.54 C ATOM 1125 CD1 ILE A 69 -0.950 -9.432 -0.574 1.00 24.21 C ATOM 0 H ILE A 69 -4.364 -9.581 1.501 1.00 53.33 H new ATOM 0 HA ILE A 69 -2.278 -10.069 3.379 1.00 33.04 H new ATOM 0 HB ILE A 69 -2.713 -8.033 1.145 1.00 43.33 H new ATOM 0 HG12 ILE A 69 -0.996 -10.566 1.240 1.00 32.34 H new ATOM 0 HG13 ILE A 69 -2.548 -10.431 0.438 1.00 32.34 H new ATOM 0 HG21 ILE A 69 -0.291 -7.544 1.229 1.00 52.54 H new ATOM 0 HG22 ILE A 69 -1.132 -7.058 2.721 1.00 52.54 H new ATOM 0 HG23 ILE A 69 -0.151 -8.543 2.696 1.00 52.54 H new ATOM 0 HD11 ILE A 69 -0.713 -10.306 -1.181 1.00 24.21 H new ATOM 0 HD12 ILE A 69 -1.607 -8.768 -1.136 1.00 24.21 H new ATOM 0 HD13 ILE A 69 -0.030 -8.905 -0.322 1.00 24.21 H new ATOM 1137 N ALA A 70 -4.164 -7.388 3.818 1.00 15.21 N ATOM 1138 CA ALA A 70 -4.568 -6.326 4.751 1.00 55.31 C ATOM 1139 C ALA A 70 -5.006 -6.906 6.099 1.00 2.43 C ATOM 1140 O ALA A 70 -4.695 -6.350 7.153 1.00 41.24 O ATOM 1141 CB ALA A 70 -5.699 -5.491 4.142 1.00 12.01 C ATOM 0 H ALA A 70 -4.790 -7.484 3.019 1.00 15.21 H new ATOM 0 HA ALA A 70 -3.704 -5.685 4.926 1.00 55.31 H new ATOM 0 HB1 ALA A 70 -5.990 -4.708 4.842 1.00 12.01 H new ATOM 0 HB2 ALA A 70 -5.356 -5.038 3.212 1.00 12.01 H new ATOM 0 HB3 ALA A 70 -6.556 -6.133 3.939 1.00 12.01 H new ATOM 1147 N GLU A 71 -5.739 -8.032 6.039 1.00 52.03 N ATOM 1148 CA GLU A 71 -6.163 -8.763 7.230 1.00 30.54 C ATOM 1149 C GLU A 71 -4.939 -9.307 7.965 1.00 62.32 C ATOM 1150 O GLU A 71 -4.819 -9.106 9.168 1.00 54.35 O ATOM 1151 CB GLU A 71 -7.144 -9.898 6.855 1.00 74.23 C ATOM 1152 CG GLU A 71 -7.659 -10.685 8.078 1.00 32.13 C ATOM 1153 CD GLU A 71 -8.593 -11.846 7.729 1.00 64.21 C ATOM 1154 OE1 GLU A 71 -8.091 -12.919 7.329 1.00 32.32 O ATOM 1155 OE2 GLU A 71 -9.824 -11.706 7.875 1.00 12.32 O ATOM 0 H GLU A 71 -6.049 -8.453 5.164 1.00 52.03 H new ATOM 0 HA GLU A 71 -6.691 -8.082 7.897 1.00 30.54 H new ATOM 0 HB2 GLU A 71 -7.994 -9.473 6.320 1.00 74.23 H new ATOM 0 HB3 GLU A 71 -6.648 -10.586 6.170 1.00 74.23 H new ATOM 0 HG2 GLU A 71 -6.805 -11.075 8.631 1.00 32.13 H new ATOM 0 HG3 GLU A 71 -8.183 -9.999 8.743 1.00 32.13 H new ATOM 1162 N TYR A 72 -4.005 -9.916 7.201 1.00 1.14 N ATOM 1163 CA TYR A 72 -2.759 -10.487 7.734 1.00 35.03 C ATOM 1164 C TYR A 72 -1.939 -9.421 8.477 1.00 52.23 C ATOM 1165 O TYR A 72 -1.483 -9.656 9.595 1.00 13.14 O ATOM 1166 CB TYR A 72 -1.916 -11.133 6.594 1.00 24.15 C ATOM 1167 CG TYR A 72 -0.546 -11.644 7.070 1.00 24.34 C ATOM 1168 CD1 TYR A 72 -0.432 -12.810 7.835 1.00 73.55 C ATOM 1169 CD2 TYR A 72 0.629 -10.932 6.799 1.00 41.10 C ATOM 1170 CE1 TYR A 72 0.793 -13.236 8.310 1.00 24.23 C ATOM 1171 CE2 TYR A 72 1.851 -11.365 7.268 1.00 54.12 C ATOM 1172 CZ TYR A 72 1.928 -12.514 8.020 1.00 4.41 C ATOM 1173 OH TYR A 72 3.143 -12.933 8.509 1.00 20.43 O ATOM 0 H TYR A 72 -4.100 -10.023 6.191 1.00 1.14 H new ATOM 0 HA TYR A 72 -3.025 -11.267 8.447 1.00 35.03 H new ATOM 0 HB2 TYR A 72 -2.476 -11.962 6.162 1.00 24.15 H new ATOM 0 HB3 TYR A 72 -1.768 -10.401 5.800 1.00 24.15 H new ATOM 0 HD1 TYR A 72 -1.317 -13.387 8.058 1.00 73.55 H new ATOM 0 HD2 TYR A 72 0.577 -10.027 6.212 1.00 41.10 H new ATOM 0 HE1 TYR A 72 0.860 -14.133 8.907 1.00 24.23 H new ATOM 0 HE2 TYR A 72 2.746 -10.803 7.045 1.00 54.12 H new ATOM 0 HH TYR A 72 3.766 -13.070 7.765 1.00 20.43 H new ATOM 1183 N ALA A 73 -1.804 -8.247 7.851 1.00 43.34 N ATOM 1184 CA ALA A 73 -1.084 -7.101 8.418 1.00 45.23 C ATOM 1185 C ALA A 73 -1.714 -6.644 9.750 1.00 62.34 C ATOM 1186 O ALA A 73 -1.011 -6.354 10.721 1.00 71.43 O ATOM 1187 CB ALA A 73 -1.089 -5.964 7.402 1.00 52.43 C ATOM 0 H ALA A 73 -2.195 -8.064 6.927 1.00 43.34 H new ATOM 0 HA ALA A 73 -0.058 -7.398 8.633 1.00 45.23 H new ATOM 0 HB1 ALA A 73 -0.556 -5.106 7.813 1.00 52.43 H new ATOM 0 HB2 ALA A 73 -0.597 -6.292 6.486 1.00 52.43 H new ATOM 0 HB3 ALA A 73 -2.117 -5.680 7.179 1.00 52.43 H new ATOM 1193 N GLN A 74 -3.057 -6.632 9.774 1.00 2.12 N ATOM 1194 CA GLN A 74 -3.848 -6.274 10.968 1.00 31.54 C ATOM 1195 C GLN A 74 -3.689 -7.353 12.076 1.00 73.30 C ATOM 1196 O GLN A 74 -3.675 -7.031 13.270 1.00 44.05 O ATOM 1197 CB GLN A 74 -5.333 -6.081 10.558 1.00 12.21 C ATOM 1198 CG GLN A 74 -6.260 -5.549 11.667 1.00 31.11 C ATOM 1199 CD GLN A 74 -7.726 -5.355 11.231 1.00 33.22 C ATOM 1200 OE1 GLN A 74 -8.410 -4.453 11.717 1.00 2.45 O ATOM 1201 NE2 GLN A 74 -8.228 -6.198 10.326 1.00 63.54 N ATOM 0 H GLN A 74 -3.629 -6.871 8.964 1.00 2.12 H new ATOM 0 HA GLN A 74 -3.480 -5.336 11.384 1.00 31.54 H new ATOM 0 HB2 GLN A 74 -5.373 -5.393 9.713 1.00 12.21 H new ATOM 0 HB3 GLN A 74 -5.723 -7.037 10.209 1.00 12.21 H new ATOM 0 HG2 GLN A 74 -6.232 -6.240 12.510 1.00 31.11 H new ATOM 0 HG3 GLN A 74 -5.870 -4.596 12.024 1.00 31.11 H new ATOM 0 HE21 GLN A 74 -7.642 -6.937 9.938 1.00 63.54 H new ATOM 0 HE22 GLN A 74 -9.197 -6.103 10.023 1.00 63.54 H new ATOM 1210 N LYS A 75 -3.525 -8.626 11.646 1.00 61.14 N ATOM 1211 CA LYS A 75 -3.277 -9.785 12.542 1.00 34.51 C ATOM 1212 C LYS A 75 -1.872 -9.712 13.169 1.00 53.13 C ATOM 1213 O LYS A 75 -1.657 -10.209 14.277 1.00 73.14 O ATOM 1214 CB LYS A 75 -3.439 -11.128 11.775 1.00 12.30 C ATOM 1215 CG LYS A 75 -4.865 -11.398 11.239 1.00 43.24 C ATOM 1216 CD LYS A 75 -4.954 -12.698 10.392 1.00 22.42 C ATOM 1217 CE LYS A 75 -4.651 -13.965 11.209 1.00 14.23 C ATOM 1218 NZ LYS A 75 -4.726 -15.198 10.381 1.00 15.11 N ATOM 0 H LYS A 75 -3.561 -8.882 10.659 1.00 61.14 H new ATOM 0 HA LYS A 75 -4.019 -9.743 13.340 1.00 34.51 H new ATOM 0 HB2 LYS A 75 -2.742 -11.138 10.937 1.00 12.30 H new ATOM 0 HB3 LYS A 75 -3.153 -11.946 12.437 1.00 12.30 H new ATOM 0 HG2 LYS A 75 -5.556 -11.469 12.079 1.00 43.24 H new ATOM 0 HG3 LYS A 75 -5.186 -10.552 10.632 1.00 43.24 H new ATOM 0 HD2 LYS A 75 -5.953 -12.779 9.963 1.00 22.42 H new ATOM 0 HD3 LYS A 75 -4.254 -12.632 9.559 1.00 22.42 H new ATOM 0 HE2 LYS A 75 -3.656 -13.884 11.647 1.00 14.23 H new ATOM 0 HE3 LYS A 75 -5.358 -14.040 12.035 1.00 14.23 H new ATOM 0 HZ1 LYS A 75 -4.515 -16.027 10.973 1.00 15.11 H new ATOM 0 HZ2 LYS A 75 -5.682 -15.291 9.983 1.00 15.11 H new ATOM 0 HZ3 LYS A 75 -4.033 -15.139 9.607 1.00 15.11 H new ATOM 1232 N GLU A 76 -0.923 -9.077 12.461 1.00 10.41 N ATOM 1233 CA GLU A 76 0.453 -8.873 12.960 1.00 23.41 C ATOM 1234 C GLU A 76 0.524 -7.734 14.007 1.00 4.23 C ATOM 1235 O GLU A 76 1.601 -7.452 14.551 1.00 15.23 O ATOM 1236 CB GLU A 76 1.403 -8.582 11.768 1.00 43.42 C ATOM 1237 CG GLU A 76 1.490 -9.695 10.704 1.00 4.01 C ATOM 1238 CD GLU A 76 2.019 -11.033 11.243 1.00 74.14 C ATOM 1239 OE1 GLU A 76 1.216 -11.867 11.708 1.00 50.44 O ATOM 1240 OE2 GLU A 76 3.247 -11.257 11.211 1.00 32.40 O ATOM 0 H GLU A 76 -1.084 -8.691 11.531 1.00 10.41 H new ATOM 0 HA GLU A 76 0.771 -9.787 13.461 1.00 23.41 H new ATOM 0 HB2 GLU A 76 1.077 -7.663 11.282 1.00 43.42 H new ATOM 0 HB3 GLU A 76 2.404 -8.398 12.159 1.00 43.42 H new ATOM 0 HG2 GLU A 76 0.500 -9.853 10.276 1.00 4.01 H new ATOM 0 HG3 GLU A 76 2.138 -9.360 9.894 1.00 4.01 H new ATOM 1247 N GLY A 77 -0.633 -7.098 14.283 1.00 53.52 N ATOM 1248 CA GLY A 77 -0.715 -5.967 15.203 1.00 3.45 C ATOM 1249 C GLY A 77 -0.214 -4.683 14.566 1.00 55.30 C ATOM 1250 O GLY A 77 0.274 -3.787 15.254 1.00 14.52 O ATOM 0 H GLY A 77 -1.529 -7.360 13.871 1.00 53.52 H new ATOM 0 HA2 GLY A 77 -1.748 -5.834 15.524 1.00 3.45 H new ATOM 0 HA3 GLY A 77 -0.129 -6.182 16.096 1.00 3.45 H new ATOM 1254 N LEU A 78 -0.313 -4.617 13.219 1.00 15.22 N ATOM 1255 CA LEU A 78 0.142 -3.465 12.422 1.00 63.13 C ATOM 1256 C LEU A 78 -1.083 -2.700 11.893 1.00 24.43 C ATOM 1257 O LEU A 78 -2.167 -3.285 11.755 1.00 5.02 O ATOM 1258 CB LEU A 78 1.032 -3.938 11.222 1.00 20.21 C ATOM 1259 CG LEU A 78 2.110 -5.034 11.522 1.00 61.44 C ATOM 1260 CD1 LEU A 78 3.001 -5.302 10.295 1.00 11.23 C ATOM 1261 CD2 LEU A 78 2.967 -4.697 12.748 1.00 72.04 C ATOM 0 H LEU A 78 -0.713 -5.367 12.656 1.00 15.22 H new ATOM 0 HA LEU A 78 0.741 -2.811 13.056 1.00 63.13 H new ATOM 0 HB2 LEU A 78 0.373 -4.317 10.441 1.00 20.21 H new ATOM 0 HB3 LEU A 78 1.541 -3.065 10.814 1.00 20.21 H new ATOM 0 HG LEU A 78 1.560 -5.946 11.753 1.00 61.44 H new ATOM 0 HD11 LEU A 78 3.737 -6.068 10.540 1.00 11.23 H new ATOM 0 HD12 LEU A 78 2.383 -5.645 9.465 1.00 11.23 H new ATOM 0 HD13 LEU A 78 3.514 -4.383 10.010 1.00 11.23 H new ATOM 0 HD21 LEU A 78 3.697 -5.490 12.910 1.00 72.04 H new ATOM 0 HD22 LEU A 78 3.487 -3.754 12.581 1.00 72.04 H new ATOM 0 HD23 LEU A 78 2.327 -4.608 13.626 1.00 72.04 H new ATOM 1273 N ARG A 79 -0.915 -1.398 11.614 1.00 0.51 N ATOM 1274 CA ARG A 79 -1.965 -0.586 10.959 1.00 52.23 C ATOM 1275 C ARG A 79 -1.894 -0.808 9.448 1.00 2.20 C ATOM 1276 O ARG A 79 -0.817 -1.016 8.902 1.00 54.52 O ATOM 1277 CB ARG A 79 -1.823 0.930 11.286 1.00 61.52 C ATOM 1278 CG ARG A 79 -2.242 1.335 12.720 1.00 70.22 C ATOM 1279 CD ARG A 79 -1.334 0.761 13.821 1.00 32.31 C ATOM 1280 NE ARG A 79 0.058 1.248 13.717 1.00 24.55 N ATOM 1281 CZ ARG A 79 0.513 2.399 14.248 1.00 2.32 C ATOM 1282 NH1 ARG A 79 -0.292 3.207 14.935 1.00 5.24 N ATOM 1283 NH2 ARG A 79 1.789 2.735 14.085 1.00 5.13 N ATOM 0 H ARG A 79 -0.063 -0.880 11.830 1.00 0.51 H new ATOM 0 HA ARG A 79 -2.934 -0.906 11.343 1.00 52.23 H new ATOM 0 HB2 ARG A 79 -0.785 1.223 11.131 1.00 61.52 H new ATOM 0 HB3 ARG A 79 -2.424 1.497 10.575 1.00 61.52 H new ATOM 0 HG2 ARG A 79 -2.243 2.422 12.794 1.00 70.22 H new ATOM 0 HG3 ARG A 79 -3.265 1.003 12.897 1.00 70.22 H new ATOM 0 HD2 ARG A 79 -1.738 1.030 14.797 1.00 32.31 H new ATOM 0 HD3 ARG A 79 -1.340 -0.327 13.762 1.00 32.31 H new ATOM 0 HE ARG A 79 0.723 0.669 13.205 1.00 24.55 H new ATOM 0 HH11 ARG A 79 -1.272 2.958 15.067 1.00 5.24 H new ATOM 0 HH12 ARG A 79 0.072 4.074 15.329 1.00 5.24 H new ATOM 0 HH21 ARG A 79 2.415 2.123 13.561 1.00 5.13 H new ATOM 0 HH22 ARG A 79 2.142 3.605 14.484 1.00 5.13 H new ATOM 1297 N VAL A 80 -3.057 -0.773 8.786 1.00 54.50 N ATOM 1298 CA VAL A 80 -3.159 -1.001 7.340 1.00 53.11 C ATOM 1299 C VAL A 80 -3.656 0.271 6.651 1.00 63.23 C ATOM 1300 O VAL A 80 -4.770 0.742 6.919 1.00 72.42 O ATOM 1301 CB VAL A 80 -4.130 -2.186 7.022 1.00 62.32 C ATOM 1302 CG1 VAL A 80 -4.181 -2.473 5.505 1.00 54.21 C ATOM 1303 CG2 VAL A 80 -3.740 -3.445 7.825 1.00 65.41 C ATOM 0 H VAL A 80 -3.952 -0.586 9.237 1.00 54.50 H new ATOM 0 HA VAL A 80 -2.169 -1.261 6.965 1.00 53.11 H new ATOM 0 HB VAL A 80 -5.134 -1.894 7.331 1.00 62.32 H new ATOM 0 HG11 VAL A 80 -4.864 -3.301 5.314 1.00 54.21 H new ATOM 0 HG12 VAL A 80 -4.531 -1.585 4.978 1.00 54.21 H new ATOM 0 HG13 VAL A 80 -3.184 -2.735 5.151 1.00 54.21 H new ATOM 0 HG21 VAL A 80 -4.429 -4.256 7.588 1.00 65.41 H new ATOM 0 HG22 VAL A 80 -2.725 -3.743 7.564 1.00 65.41 H new ATOM 0 HG23 VAL A 80 -3.791 -3.226 8.892 1.00 65.41 H new ATOM 1313 N ILE A 81 -2.798 0.837 5.803 1.00 4.20 N ATOM 1314 CA ILE A 81 -3.134 1.963 4.941 1.00 71.22 C ATOM 1315 C ILE A 81 -3.254 1.440 3.499 1.00 45.14 C ATOM 1316 O ILE A 81 -2.299 0.923 2.957 1.00 71.01 O ATOM 1317 CB ILE A 81 -2.062 3.125 5.050 1.00 30.43 C ATOM 1318 CG1 ILE A 81 -2.279 4.014 6.329 1.00 62.22 C ATOM 1319 CG2 ILE A 81 -2.058 4.002 3.788 1.00 61.41 C ATOM 1320 CD1 ILE A 81 -1.975 3.345 7.657 1.00 72.35 C ATOM 0 H ILE A 81 -1.835 0.519 5.696 1.00 4.20 H new ATOM 0 HA ILE A 81 -4.082 2.397 5.258 1.00 71.22 H new ATOM 0 HB ILE A 81 -1.089 2.642 5.142 1.00 30.43 H new ATOM 0 HG12 ILE A 81 -1.655 4.903 6.240 1.00 62.22 H new ATOM 0 HG13 ILE A 81 -3.315 4.352 6.342 1.00 62.22 H new ATOM 0 HG21 ILE A 81 -1.312 4.790 3.895 1.00 61.41 H new ATOM 0 HG22 ILE A 81 -1.817 3.389 2.920 1.00 61.41 H new ATOM 0 HG23 ILE A 81 -3.042 4.451 3.653 1.00 61.41 H new ATOM 0 HD11 ILE A 81 -2.159 4.048 8.469 1.00 72.35 H new ATOM 0 HD12 ILE A 81 -2.617 2.473 7.780 1.00 72.35 H new ATOM 0 HD13 ILE A 81 -0.931 3.033 7.677 1.00 72.35 H new ATOM 1332 N VAL A 82 -4.443 1.558 2.902 1.00 4.21 N ATOM 1333 CA VAL A 82 -4.704 1.125 1.514 1.00 64.13 C ATOM 1334 C VAL A 82 -4.779 2.370 0.607 1.00 13.43 C ATOM 1335 O VAL A 82 -5.634 3.210 0.804 1.00 22.11 O ATOM 1336 CB VAL A 82 -6.047 0.294 1.445 1.00 61.51 C ATOM 1337 CG1 VAL A 82 -6.397 -0.128 -0.002 1.00 72.41 C ATOM 1338 CG2 VAL A 82 -5.985 -0.936 2.391 1.00 4.35 C ATOM 0 H VAL A 82 -5.260 1.958 3.364 1.00 4.21 H new ATOM 0 HA VAL A 82 -3.895 0.481 1.169 1.00 64.13 H new ATOM 0 HB VAL A 82 -6.850 0.947 1.787 1.00 61.51 H new ATOM 0 HG11 VAL A 82 -7.327 -0.696 -0.000 1.00 72.41 H new ATOM 0 HG12 VAL A 82 -6.516 0.761 -0.622 1.00 72.41 H new ATOM 0 HG13 VAL A 82 -5.595 -0.746 -0.405 1.00 72.41 H new ATOM 0 HG21 VAL A 82 -6.920 -1.492 2.326 1.00 4.35 H new ATOM 0 HG22 VAL A 82 -5.158 -1.581 2.095 1.00 4.35 H new ATOM 0 HG23 VAL A 82 -5.833 -0.599 3.416 1.00 4.35 H new ATOM 1348 N ILE A 83 -3.843 2.519 -0.340 1.00 14.40 N ATOM 1349 CA ILE A 83 -3.819 3.660 -1.283 1.00 63.43 C ATOM 1350 C ILE A 83 -4.140 3.172 -2.696 1.00 70.42 C ATOM 1351 O ILE A 83 -3.364 2.437 -3.291 1.00 4.04 O ATOM 1352 CB ILE A 83 -2.424 4.385 -1.271 1.00 55.04 C ATOM 1353 CG1 ILE A 83 -2.075 4.809 0.184 1.00 15.45 C ATOM 1354 CG2 ILE A 83 -2.407 5.603 -2.241 1.00 63.30 C ATOM 1355 CD1 ILE A 83 -0.750 5.497 0.344 1.00 40.31 C ATOM 0 H ILE A 83 -3.080 1.857 -0.479 1.00 14.40 H new ATOM 0 HA ILE A 83 -4.574 4.378 -0.964 1.00 63.43 H new ATOM 0 HB ILE A 83 -1.662 3.691 -1.627 1.00 55.04 H new ATOM 0 HG12 ILE A 83 -2.858 5.472 0.551 1.00 15.45 H new ATOM 0 HG13 ILE A 83 -2.086 3.922 0.817 1.00 15.45 H new ATOM 0 HG21 ILE A 83 -1.428 6.081 -2.208 1.00 63.30 H new ATOM 0 HG22 ILE A 83 -2.610 5.262 -3.256 1.00 63.30 H new ATOM 0 HG23 ILE A 83 -3.171 6.319 -1.939 1.00 63.30 H new ATOM 0 HD11 ILE A 83 -0.597 5.753 1.392 1.00 40.31 H new ATOM 0 HD12 ILE A 83 0.048 4.832 0.013 1.00 40.31 H new ATOM 0 HD13 ILE A 83 -0.737 6.406 -0.257 1.00 40.31 H new ATOM 1367 N ILE A 84 -5.297 3.568 -3.217 1.00 22.02 N ATOM 1368 CA ILE A 84 -5.735 3.184 -4.564 1.00 15.12 C ATOM 1369 C ILE A 84 -5.359 4.305 -5.546 1.00 54.44 C ATOM 1370 O ILE A 84 -5.722 5.464 -5.324 1.00 30.53 O ATOM 1371 CB ILE A 84 -7.286 2.948 -4.596 1.00 74.32 C ATOM 1372 CG1 ILE A 84 -7.722 2.079 -3.377 1.00 15.12 C ATOM 1373 CG2 ILE A 84 -7.718 2.285 -5.932 1.00 22.41 C ATOM 1374 CD1 ILE A 84 -9.206 2.046 -3.149 1.00 71.45 C ATOM 0 H ILE A 84 -5.960 4.164 -2.722 1.00 22.02 H new ATOM 0 HA ILE A 84 -5.243 2.255 -4.850 1.00 15.12 H new ATOM 0 HB ILE A 84 -7.785 3.915 -4.529 1.00 74.32 H new ATOM 0 HG12 ILE A 84 -7.365 1.060 -3.524 1.00 15.12 H new ATOM 0 HG13 ILE A 84 -7.235 2.461 -2.479 1.00 15.12 H new ATOM 0 HG21 ILE A 84 -8.797 2.132 -5.930 1.00 22.41 H new ATOM 0 HG22 ILE A 84 -7.445 2.933 -6.765 1.00 22.41 H new ATOM 0 HG23 ILE A 84 -7.215 1.324 -6.040 1.00 22.41 H new ATOM 0 HD11 ILE A 84 -9.427 1.421 -2.284 1.00 71.45 H new ATOM 0 HD12 ILE A 84 -9.569 3.058 -2.968 1.00 71.45 H new ATOM 0 HD13 ILE A 84 -9.700 1.635 -4.029 1.00 71.45 H new ATOM 1386 N VAL A 85 -4.603 3.959 -6.598 1.00 75.42 N ATOM 1387 CA VAL A 85 -4.224 4.887 -7.670 1.00 74.34 C ATOM 1388 C VAL A 85 -4.973 4.470 -8.945 1.00 21.50 C ATOM 1389 O VAL A 85 -4.664 3.432 -9.523 1.00 41.34 O ATOM 1390 CB VAL A 85 -2.665 4.872 -7.946 1.00 24.45 C ATOM 1391 CG1 VAL A 85 -2.264 6.039 -8.883 1.00 52.34 C ATOM 1392 CG2 VAL A 85 -1.856 4.891 -6.625 1.00 1.10 C ATOM 0 H VAL A 85 -4.234 3.017 -6.729 1.00 75.42 H new ATOM 0 HA VAL A 85 -4.489 5.900 -7.366 1.00 74.34 H new ATOM 0 HB VAL A 85 -2.420 3.939 -8.454 1.00 24.45 H new ATOM 0 HG11 VAL A 85 -1.189 6.011 -9.060 1.00 52.34 H new ATOM 0 HG12 VAL A 85 -2.791 5.941 -9.832 1.00 52.34 H new ATOM 0 HG13 VAL A 85 -2.530 6.988 -8.417 1.00 52.34 H new ATOM 0 HG21 VAL A 85 -0.790 4.880 -6.851 1.00 1.10 H new ATOM 0 HG22 VAL A 85 -2.098 5.793 -6.063 1.00 1.10 H new ATOM 0 HG23 VAL A 85 -2.110 4.014 -6.030 1.00 1.10 H new ATOM 1402 N SER A 86 -5.991 5.246 -9.340 1.00 54.03 N ATOM 1403 CA SER A 86 -6.782 4.992 -10.561 1.00 14.13 C ATOM 1404 C SER A 86 -7.360 6.323 -11.066 1.00 74.22 C ATOM 1405 O SER A 86 -7.765 7.166 -10.260 1.00 74.41 O ATOM 1406 CB SER A 86 -7.941 3.984 -10.278 1.00 72.21 C ATOM 1407 OG SER A 86 -7.466 2.700 -9.891 1.00 35.02 O ATOM 0 H SER A 86 -6.294 6.072 -8.823 1.00 54.03 H new ATOM 0 HA SER A 86 -6.132 4.554 -11.319 1.00 14.13 H new ATOM 0 HB2 SER A 86 -8.581 4.383 -9.491 1.00 72.21 H new ATOM 0 HB3 SER A 86 -8.558 3.885 -11.171 1.00 72.21 H new ATOM 0 HG SER A 86 -6.487 2.710 -9.858 1.00 35.02 H new ATOM 1413 N GLN A 87 -7.439 6.493 -12.400 1.00 21.41 N ATOM 1414 CA GLN A 87 -8.004 7.707 -13.031 1.00 32.21 C ATOM 1415 C GLN A 87 -9.545 7.610 -13.154 1.00 33.25 C ATOM 1416 O GLN A 87 -10.148 8.188 -14.062 1.00 41.51 O ATOM 1417 CB GLN A 87 -7.359 7.928 -14.430 1.00 55.21 C ATOM 1418 CG GLN A 87 -5.821 8.004 -14.424 1.00 45.13 C ATOM 1419 CD GLN A 87 -5.242 8.424 -15.773 1.00 24.30 C ATOM 1420 OE1 GLN A 87 -4.990 7.588 -16.635 1.00 63.21 O ATOM 1421 NE2 GLN A 87 -5.031 9.715 -15.972 1.00 74.14 N ATOM 0 H GLN A 87 -7.115 5.796 -13.071 1.00 21.41 H new ATOM 0 HA GLN A 87 -7.775 8.561 -12.394 1.00 32.21 H new ATOM 0 HB2 GLN A 87 -7.667 7.116 -15.089 1.00 55.21 H new ATOM 0 HB3 GLN A 87 -7.753 8.851 -14.855 1.00 55.21 H new ATOM 0 HG2 GLN A 87 -5.500 8.712 -13.660 1.00 45.13 H new ATOM 0 HG3 GLN A 87 -5.415 7.031 -14.147 1.00 45.13 H new ATOM 0 HE21 GLN A 87 -5.250 10.387 -15.237 1.00 74.14 H new ATOM 0 HE22 GLN A 87 -4.649 10.038 -16.861 1.00 74.14 H new ATOM 1430 N ASP A 88 -10.179 6.909 -12.204 1.00 12.12 N ATOM 1431 CA ASP A 88 -11.623 6.671 -12.195 1.00 35.43 C ATOM 1432 C ASP A 88 -12.120 6.684 -10.748 1.00 1.24 C ATOM 1433 O ASP A 88 -11.706 5.840 -9.949 1.00 30.41 O ATOM 1434 CB ASP A 88 -11.943 5.309 -12.864 1.00 62.45 C ATOM 1435 CG ASP A 88 -13.445 4.973 -12.898 1.00 4.12 C ATOM 1436 OD1 ASP A 88 -14.218 5.711 -13.541 1.00 42.01 O ATOM 1437 OD2 ASP A 88 -13.854 3.969 -12.294 1.00 41.03 O ATOM 0 H ASP A 88 -9.694 6.487 -11.412 1.00 12.12 H new ATOM 0 HA ASP A 88 -12.128 7.455 -12.759 1.00 35.43 H new ATOM 0 HB2 ASP A 88 -11.558 5.316 -13.884 1.00 62.45 H new ATOM 0 HB3 ASP A 88 -11.415 4.519 -12.330 1.00 62.45 H new ATOM 1442 N GLU A 89 -13.000 7.648 -10.432 1.00 5.52 N ATOM 1443 CA GLU A 89 -13.566 7.850 -9.080 1.00 12.24 C ATOM 1444 C GLU A 89 -14.401 6.649 -8.600 1.00 23.33 C ATOM 1445 O GLU A 89 -14.501 6.410 -7.395 1.00 24.05 O ATOM 1446 CB GLU A 89 -14.413 9.163 -9.064 1.00 72.14 C ATOM 1447 CG GLU A 89 -13.573 10.450 -8.918 1.00 5.11 C ATOM 1448 CD GLU A 89 -13.105 10.683 -7.474 1.00 72.42 C ATOM 1449 OE1 GLU A 89 -12.083 10.108 -7.062 1.00 42.23 O ATOM 1450 OE2 GLU A 89 -13.760 11.441 -6.740 1.00 34.34 O ATOM 0 H GLU A 89 -13.346 8.321 -11.116 1.00 5.52 H new ATOM 0 HA GLU A 89 -12.736 7.940 -8.380 1.00 12.24 H new ATOM 0 HB2 GLU A 89 -14.991 9.221 -9.986 1.00 72.14 H new ATOM 0 HB3 GLU A 89 -15.127 9.112 -8.242 1.00 72.14 H new ATOM 0 HG2 GLU A 89 -12.704 10.390 -9.573 1.00 5.11 H new ATOM 0 HG3 GLU A 89 -14.163 11.305 -9.248 1.00 5.11 H new ATOM 1457 N GLU A 90 -14.977 5.894 -9.546 1.00 52.51 N ATOM 1458 CA GLU A 90 -15.796 4.715 -9.228 1.00 23.22 C ATOM 1459 C GLU A 90 -14.905 3.546 -8.754 1.00 22.14 C ATOM 1460 O GLU A 90 -15.240 2.869 -7.782 1.00 72.00 O ATOM 1461 CB GLU A 90 -16.659 4.321 -10.453 1.00 2.12 C ATOM 1462 CG GLU A 90 -17.592 5.445 -10.943 1.00 63.35 C ATOM 1463 CD GLU A 90 -18.542 5.007 -12.064 1.00 63.31 C ATOM 1464 OE1 GLU A 90 -18.152 5.052 -13.246 1.00 41.40 O ATOM 1465 OE2 GLU A 90 -19.690 4.600 -11.764 1.00 74.50 O ATOM 0 H GLU A 90 -14.890 6.081 -10.545 1.00 52.51 H new ATOM 0 HA GLU A 90 -16.472 4.960 -8.408 1.00 23.22 H new ATOM 0 HB2 GLU A 90 -16.000 4.026 -11.270 1.00 2.12 H new ATOM 0 HB3 GLU A 90 -17.260 3.448 -10.197 1.00 2.12 H new ATOM 0 HG2 GLU A 90 -18.180 5.811 -10.101 1.00 63.35 H new ATOM 0 HG3 GLU A 90 -16.987 6.280 -11.296 1.00 63.35 H new ATOM 1472 N ALA A 91 -13.756 3.345 -9.434 1.00 2.43 N ATOM 1473 CA ALA A 91 -12.772 2.303 -9.071 1.00 64.23 C ATOM 1474 C ALA A 91 -12.073 2.655 -7.753 1.00 23.50 C ATOM 1475 O ALA A 91 -11.772 1.771 -6.936 1.00 44.21 O ATOM 1476 CB ALA A 91 -11.744 2.123 -10.200 1.00 70.34 C ATOM 0 H ALA A 91 -13.485 3.898 -10.247 1.00 2.43 H new ATOM 0 HA ALA A 91 -13.301 1.360 -8.933 1.00 64.23 H new ATOM 0 HB1 ALA A 91 -11.026 1.353 -9.919 1.00 70.34 H new ATOM 0 HB2 ALA A 91 -12.257 1.825 -11.115 1.00 70.34 H new ATOM 0 HB3 ALA A 91 -11.220 3.064 -10.368 1.00 70.34 H new ATOM 1482 N LEU A 92 -11.833 3.967 -7.568 1.00 65.34 N ATOM 1483 CA LEU A 92 -11.268 4.511 -6.334 1.00 43.50 C ATOM 1484 C LEU A 92 -12.212 4.267 -5.145 1.00 13.00 C ATOM 1485 O LEU A 92 -11.787 3.738 -4.122 1.00 3.31 O ATOM 1486 CB LEU A 92 -10.973 6.036 -6.484 1.00 1.35 C ATOM 1487 CG LEU A 92 -9.802 6.421 -7.447 1.00 64.10 C ATOM 1488 CD1 LEU A 92 -9.655 7.950 -7.574 1.00 41.23 C ATOM 1489 CD2 LEU A 92 -8.484 5.780 -6.986 1.00 41.10 C ATOM 0 H LEU A 92 -12.028 4.675 -8.276 1.00 65.34 H new ATOM 0 HA LEU A 92 -10.328 3.994 -6.141 1.00 43.50 H new ATOM 0 HB2 LEU A 92 -11.881 6.528 -6.834 1.00 1.35 H new ATOM 0 HB3 LEU A 92 -10.752 6.441 -5.497 1.00 1.35 H new ATOM 0 HG LEU A 92 -10.045 6.031 -8.436 1.00 64.10 H new ATOM 0 HD11 LEU A 92 -8.832 8.181 -8.250 1.00 41.23 H new ATOM 0 HD12 LEU A 92 -10.579 8.373 -7.968 1.00 41.23 H new ATOM 0 HD13 LEU A 92 -9.450 8.379 -6.593 1.00 41.23 H new ATOM 0 HD21 LEU A 92 -7.684 6.061 -7.670 1.00 41.10 H new ATOM 0 HD22 LEU A 92 -8.242 6.128 -5.982 1.00 41.10 H new ATOM 0 HD23 LEU A 92 -8.590 4.695 -6.978 1.00 41.10 H new ATOM 1501 N ARG A 93 -13.502 4.623 -5.307 1.00 55.14 N ATOM 1502 CA ARG A 93 -14.449 4.670 -4.179 1.00 71.10 C ATOM 1503 C ARG A 93 -14.938 3.275 -3.755 1.00 22.43 C ATOM 1504 O ARG A 93 -15.210 3.062 -2.577 1.00 34.20 O ATOM 1505 CB ARG A 93 -15.654 5.608 -4.475 1.00 5.21 C ATOM 1506 CG ARG A 93 -16.381 6.072 -3.188 1.00 4.34 C ATOM 1507 CD ARG A 93 -17.570 7.019 -3.432 1.00 23.10 C ATOM 1508 NE ARG A 93 -18.044 7.620 -2.169 1.00 63.21 N ATOM 1509 CZ ARG A 93 -18.801 7.015 -1.244 1.00 45.24 C ATOM 1510 NH1 ARG A 93 -19.222 5.767 -1.412 1.00 4.12 N ATOM 1511 NH2 ARG A 93 -19.091 7.658 -0.120 1.00 43.32 N ATOM 0 H ARG A 93 -13.909 4.881 -6.206 1.00 55.14 H new ATOM 0 HA ARG A 93 -13.893 5.085 -3.339 1.00 71.10 H new ATOM 0 HB2 ARG A 93 -15.303 6.482 -5.024 1.00 5.21 H new ATOM 0 HB3 ARG A 93 -16.363 5.090 -5.121 1.00 5.21 H new ATOM 0 HG2 ARG A 93 -16.737 5.193 -2.650 1.00 4.34 H new ATOM 0 HG3 ARG A 93 -15.662 6.572 -2.540 1.00 4.34 H new ATOM 0 HD2 ARG A 93 -17.274 7.807 -4.124 1.00 23.10 H new ATOM 0 HD3 ARG A 93 -18.384 6.470 -3.904 1.00 23.10 H new ATOM 0 HE ARG A 93 -17.770 8.585 -1.984 1.00 63.21 H new ATOM 0 HH11 ARG A 93 -18.970 5.253 -2.256 1.00 4.12 H new ATOM 0 HH12 ARG A 93 -19.798 5.322 -0.697 1.00 4.12 H new ATOM 0 HH21 ARG A 93 -18.738 8.603 0.033 1.00 43.32 H new ATOM 0 HH22 ARG A 93 -19.667 7.207 0.591 1.00 43.32 H new ATOM 1525 N LYS A 94 -15.044 2.324 -4.704 1.00 63.30 N ATOM 1526 CA LYS A 94 -15.495 0.946 -4.389 1.00 2.25 C ATOM 1527 C LYS A 94 -14.480 0.236 -3.493 1.00 65.04 C ATOM 1528 O LYS A 94 -14.861 -0.421 -2.520 1.00 54.33 O ATOM 1529 CB LYS A 94 -15.756 0.118 -5.669 1.00 61.31 C ATOM 1530 CG LYS A 94 -16.997 0.570 -6.453 1.00 41.21 C ATOM 1531 CD LYS A 94 -17.294 -0.317 -7.676 1.00 34.45 C ATOM 1532 CE LYS A 94 -18.469 0.221 -8.499 1.00 52.35 C ATOM 1533 NZ LYS A 94 -18.196 1.587 -9.020 1.00 35.15 N ATOM 0 H LYS A 94 -14.826 2.479 -5.688 1.00 63.30 H new ATOM 0 HA LYS A 94 -16.440 1.030 -3.852 1.00 2.25 H new ATOM 0 HB2 LYS A 94 -14.883 0.184 -6.318 1.00 61.31 H new ATOM 0 HB3 LYS A 94 -15.872 -0.931 -5.396 1.00 61.31 H new ATOM 0 HG2 LYS A 94 -17.861 0.564 -5.789 1.00 41.21 H new ATOM 0 HG3 LYS A 94 -16.856 1.599 -6.783 1.00 41.21 H new ATOM 0 HD2 LYS A 94 -16.406 -0.376 -8.306 1.00 34.45 H new ATOM 0 HD3 LYS A 94 -17.517 -1.331 -7.344 1.00 34.45 H new ATOM 0 HE2 LYS A 94 -18.669 -0.453 -9.332 1.00 52.35 H new ATOM 0 HE3 LYS A 94 -19.367 0.240 -7.882 1.00 52.35 H new ATOM 0 HZ1 LYS A 94 -18.447 1.631 -10.028 1.00 35.15 H new ATOM 0 HZ2 LYS A 94 -18.763 2.280 -8.491 1.00 35.15 H new ATOM 0 HZ3 LYS A 94 -17.186 1.807 -8.905 1.00 35.15 H new ATOM 1547 N GLY A 95 -13.188 0.389 -3.826 1.00 55.12 N ATOM 1548 CA GLY A 95 -12.115 -0.145 -2.994 1.00 22.01 C ATOM 1549 C GLY A 95 -11.962 0.637 -1.692 1.00 44.22 C ATOM 1550 O GLY A 95 -11.665 0.053 -0.643 1.00 54.41 O ATOM 0 H GLY A 95 -12.869 0.877 -4.663 1.00 55.12 H new ATOM 0 HA2 GLY A 95 -12.318 -1.192 -2.767 1.00 22.01 H new ATOM 0 HA3 GLY A 95 -11.177 -0.115 -3.548 1.00 22.01 H new ATOM 1554 N TYR A 96 -12.164 1.974 -1.784 1.00 4.10 N ATOM 1555 CA TYR A 96 -12.047 2.903 -0.646 1.00 65.52 C ATOM 1556 C TYR A 96 -12.996 2.500 0.468 1.00 61.00 C ATOM 1557 O TYR A 96 -12.557 2.259 1.591 1.00 53.43 O ATOM 1558 CB TYR A 96 -12.313 4.366 -1.097 1.00 52.41 C ATOM 1559 CG TYR A 96 -12.461 5.411 0.027 1.00 61.52 C ATOM 1560 CD1 TYR A 96 -11.356 5.897 0.733 1.00 41.34 C ATOM 1561 CD2 TYR A 96 -13.717 5.923 0.370 1.00 72.02 C ATOM 1562 CE1 TYR A 96 -11.509 6.843 1.738 1.00 22.34 C ATOM 1563 CE2 TYR A 96 -13.867 6.860 1.369 1.00 41.40 C ATOM 1564 CZ TYR A 96 -12.764 7.320 2.048 1.00 51.43 C ATOM 1565 OH TYR A 96 -12.926 8.249 3.061 1.00 22.22 O ATOM 0 H TYR A 96 -12.414 2.436 -2.658 1.00 4.10 H new ATOM 0 HA TYR A 96 -11.028 2.850 -0.264 1.00 65.52 H new ATOM 0 HB2 TYR A 96 -11.496 4.677 -1.748 1.00 52.41 H new ATOM 0 HB3 TYR A 96 -13.222 4.379 -1.698 1.00 52.41 H new ATOM 0 HD1 TYR A 96 -10.369 5.531 0.493 1.00 41.34 H new ATOM 0 HD2 TYR A 96 -14.591 5.575 -0.161 1.00 72.02 H new ATOM 0 HE1 TYR A 96 -10.645 7.205 2.276 1.00 22.34 H new ATOM 0 HE2 TYR A 96 -14.850 7.232 1.618 1.00 41.40 H new ATOM 0 HH TYR A 96 -13.708 8.808 2.870 1.00 22.22 H new ATOM 1575 N GLU A 97 -14.285 2.406 0.123 1.00 32.51 N ATOM 1576 CA GLU A 97 -15.328 2.005 1.055 1.00 52.22 C ATOM 1577 C GLU A 97 -15.057 0.589 1.577 1.00 13.42 C ATOM 1578 O GLU A 97 -15.086 0.365 2.778 1.00 52.15 O ATOM 1579 CB GLU A 97 -16.716 2.063 0.371 1.00 12.34 C ATOM 1580 CG GLU A 97 -17.155 3.467 -0.101 1.00 53.03 C ATOM 1581 CD GLU A 97 -17.504 4.432 1.049 1.00 62.53 C ATOM 1582 OE1 GLU A 97 -16.587 4.986 1.682 1.00 0.21 O ATOM 1583 OE2 GLU A 97 -18.707 4.629 1.330 1.00 31.34 O ATOM 0 H GLU A 97 -14.629 2.608 -0.816 1.00 32.51 H new ATOM 0 HA GLU A 97 -15.325 2.698 1.897 1.00 52.22 H new ATOM 0 HB2 GLU A 97 -16.708 1.393 -0.489 1.00 12.34 H new ATOM 0 HB3 GLU A 97 -17.463 1.680 1.066 1.00 12.34 H new ATOM 0 HG2 GLU A 97 -16.356 3.905 -0.699 1.00 53.03 H new ATOM 0 HG3 GLU A 97 -18.023 3.366 -0.753 1.00 53.03 H new ATOM 1590 N ASP A 98 -14.716 -0.332 0.649 1.00 71.33 N ATOM 1591 CA ASP A 98 -14.567 -1.773 0.943 1.00 65.34 C ATOM 1592 C ASP A 98 -13.595 -2.040 2.113 1.00 10.34 C ATOM 1593 O ASP A 98 -13.968 -2.698 3.085 1.00 75.01 O ATOM 1594 CB ASP A 98 -14.098 -2.535 -0.329 1.00 44.31 C ATOM 1595 CG ASP A 98 -13.923 -4.051 -0.116 1.00 43.33 C ATOM 1596 OD1 ASP A 98 -14.902 -4.716 0.270 1.00 65.34 O ATOM 1597 OD2 ASP A 98 -12.818 -4.587 -0.354 1.00 2.42 O ATOM 0 H ASP A 98 -14.536 -0.096 -0.327 1.00 71.33 H new ATOM 0 HA ASP A 98 -15.546 -2.141 1.249 1.00 65.34 H new ATOM 0 HB2 ASP A 98 -14.822 -2.371 -1.127 1.00 44.31 H new ATOM 0 HB3 ASP A 98 -13.151 -2.113 -0.666 1.00 44.31 H new ATOM 1602 N LYS A 99 -12.377 -1.481 2.020 1.00 2.03 N ATOM 1603 CA LYS A 99 -11.329 -1.656 3.049 1.00 24.44 C ATOM 1604 C LYS A 99 -11.582 -0.754 4.281 1.00 24.32 C ATOM 1605 O LYS A 99 -11.223 -1.125 5.401 1.00 14.05 O ATOM 1606 CB LYS A 99 -9.900 -1.404 2.471 1.00 24.41 C ATOM 1607 CG LYS A 99 -9.349 -2.521 1.540 1.00 2.13 C ATOM 1608 CD LYS A 99 -10.087 -2.579 0.190 1.00 71.55 C ATOM 1609 CE LYS A 99 -9.577 -3.664 -0.757 1.00 11.14 C ATOM 1610 NZ LYS A 99 -10.431 -3.725 -1.963 1.00 51.22 N ATOM 0 H LYS A 99 -12.088 -0.897 1.235 1.00 2.03 H new ATOM 0 HA LYS A 99 -11.381 -2.695 3.374 1.00 24.44 H new ATOM 0 HB2 LYS A 99 -9.911 -0.466 1.917 1.00 24.41 H new ATOM 0 HB3 LYS A 99 -9.208 -1.274 3.303 1.00 24.41 H new ATOM 0 HG2 LYS A 99 -8.287 -2.351 1.363 1.00 2.13 H new ATOM 0 HG3 LYS A 99 -9.439 -3.485 2.041 1.00 2.13 H new ATOM 0 HD2 LYS A 99 -11.148 -2.744 0.376 1.00 71.55 H new ATOM 0 HD3 LYS A 99 -9.997 -1.611 -0.303 1.00 71.55 H new ATOM 0 HE2 LYS A 99 -8.546 -3.454 -1.042 1.00 11.14 H new ATOM 0 HE3 LYS A 99 -9.578 -4.630 -0.251 1.00 11.14 H new ATOM 0 HZ1 LYS A 99 -10.400 -4.685 -2.362 1.00 51.22 H new ATOM 0 HZ2 LYS A 99 -11.411 -3.488 -1.707 1.00 51.22 H new ATOM 0 HZ3 LYS A 99 -10.084 -3.045 -2.669 1.00 51.22 H new ATOM 1624 N LYS A 100 -12.204 0.422 4.070 1.00 72.41 N ATOM 1625 CA LYS A 100 -12.504 1.390 5.159 1.00 21.11 C ATOM 1626 C LYS A 100 -13.555 0.816 6.132 1.00 10.14 C ATOM 1627 O LYS A 100 -13.491 1.047 7.345 1.00 43.01 O ATOM 1628 CB LYS A 100 -12.995 2.728 4.554 1.00 31.43 C ATOM 1629 CG LYS A 100 -13.328 3.841 5.571 1.00 71.32 C ATOM 1630 CD LYS A 100 -13.815 5.141 4.887 1.00 72.21 C ATOM 1631 CE LYS A 100 -14.229 6.216 5.903 1.00 62.11 C ATOM 1632 NZ LYS A 100 -14.646 7.488 5.253 1.00 15.33 N ATOM 0 H LYS A 100 -12.513 0.732 3.149 1.00 72.41 H new ATOM 0 HA LYS A 100 -11.590 1.572 5.724 1.00 21.11 H new ATOM 0 HB2 LYS A 100 -12.229 3.100 3.874 1.00 31.43 H new ATOM 0 HB3 LYS A 100 -13.884 2.530 3.956 1.00 31.43 H new ATOM 0 HG2 LYS A 100 -14.097 3.485 6.256 1.00 71.32 H new ATOM 0 HG3 LYS A 100 -12.443 4.058 6.170 1.00 71.32 H new ATOM 0 HD2 LYS A 100 -13.022 5.533 4.250 1.00 72.21 H new ATOM 0 HD3 LYS A 100 -14.661 4.913 4.238 1.00 72.21 H new ATOM 0 HE2 LYS A 100 -15.050 5.838 6.512 1.00 62.11 H new ATOM 0 HE3 LYS A 100 -13.396 6.413 6.577 1.00 62.11 H new ATOM 0 HZ1 LYS A 100 -14.637 8.256 5.955 1.00 15.33 H new ATOM 0 HZ2 LYS A 100 -13.987 7.716 4.482 1.00 15.33 H new ATOM 0 HZ3 LYS A 100 -15.606 7.382 4.868 1.00 15.33 H new ATOM 1646 N LYS A 101 -14.494 0.042 5.566 1.00 41.43 N ATOM 1647 CA LYS A 101 -15.558 -0.656 6.309 1.00 40.11 C ATOM 1648 C LYS A 101 -14.989 -1.879 7.060 1.00 25.51 C ATOM 1649 O LYS A 101 -15.611 -2.388 7.995 1.00 71.54 O ATOM 1650 CB LYS A 101 -16.675 -1.080 5.316 1.00 42.42 C ATOM 1651 CG LYS A 101 -17.437 0.108 4.672 1.00 3.53 C ATOM 1652 CD LYS A 101 -18.336 -0.285 3.467 1.00 63.40 C ATOM 1653 CE LYS A 101 -19.613 -1.062 3.834 1.00 24.42 C ATOM 1654 NZ LYS A 101 -19.356 -2.432 4.362 1.00 5.52 N ATOM 0 H LYS A 101 -14.537 -0.120 4.560 1.00 41.43 H new ATOM 0 HA LYS A 101 -15.980 0.016 7.056 1.00 40.11 H new ATOM 0 HB2 LYS A 101 -16.232 -1.685 4.525 1.00 42.42 H new ATOM 0 HB3 LYS A 101 -17.390 -1.715 5.840 1.00 42.42 H new ATOM 0 HG2 LYS A 101 -18.057 0.582 5.433 1.00 3.53 H new ATOM 0 HG3 LYS A 101 -16.713 0.853 4.342 1.00 3.53 H new ATOM 0 HD2 LYS A 101 -18.621 0.622 2.935 1.00 63.40 H new ATOM 0 HD3 LYS A 101 -17.748 -0.888 2.776 1.00 63.40 H new ATOM 0 HE2 LYS A 101 -20.170 -0.495 4.580 1.00 24.42 H new ATOM 0 HE3 LYS A 101 -20.247 -1.137 2.951 1.00 24.42 H new ATOM 0 HZ1 LYS A 101 -20.083 -3.084 4.004 1.00 5.52 H new ATOM 0 HZ2 LYS A 101 -18.418 -2.754 4.049 1.00 5.52 H new ATOM 0 HZ3 LYS A 101 -19.388 -2.415 5.401 1.00 5.52 H new ATOM 1668 N LYS A 102 -13.794 -2.331 6.625 1.00 3.13 N ATOM 1669 CA LYS A 102 -13.006 -3.374 7.315 1.00 70.35 C ATOM 1670 C LYS A 102 -12.084 -2.747 8.392 1.00 52.05 C ATOM 1671 O LYS A 102 -11.271 -3.452 9.002 1.00 65.10 O ATOM 1672 CB LYS A 102 -12.164 -4.159 6.278 1.00 63.44 C ATOM 1673 CG LYS A 102 -12.986 -4.861 5.183 1.00 34.44 C ATOM 1674 CD LYS A 102 -12.098 -5.518 4.100 1.00 52.44 C ATOM 1675 CE LYS A 102 -12.918 -6.076 2.926 1.00 52.43 C ATOM 1676 NZ LYS A 102 -13.861 -7.148 3.341 1.00 22.44 N ATOM 0 H LYS A 102 -13.346 -1.980 5.779 1.00 3.13 H new ATOM 0 HA LYS A 102 -13.692 -4.058 7.815 1.00 70.35 H new ATOM 0 HB2 LYS A 102 -11.464 -3.472 5.803 1.00 63.44 H new ATOM 0 HB3 LYS A 102 -11.570 -4.907 6.803 1.00 63.44 H new ATOM 0 HG2 LYS A 102 -13.618 -5.622 5.640 1.00 34.44 H new ATOM 0 HG3 LYS A 102 -13.650 -4.136 4.712 1.00 34.44 H new ATOM 0 HD2 LYS A 102 -11.385 -4.784 3.725 1.00 52.44 H new ATOM 0 HD3 LYS A 102 -11.518 -6.324 4.550 1.00 52.44 H new ATOM 0 HE2 LYS A 102 -13.479 -5.265 2.462 1.00 52.43 H new ATOM 0 HE3 LYS A 102 -12.239 -6.468 2.169 1.00 52.43 H new ATOM 0 HZ1 LYS A 102 -14.388 -7.488 2.511 1.00 22.44 H new ATOM 0 HZ2 LYS A 102 -13.328 -7.937 3.759 1.00 22.44 H new ATOM 0 HZ3 LYS A 102 -14.528 -6.770 4.044 1.00 22.44 H new ATOM 1690 N GLY A 103 -12.198 -1.412 8.586 1.00 61.11 N ATOM 1691 CA GLY A 103 -11.482 -0.688 9.646 1.00 35.30 C ATOM 1692 C GLY A 103 -10.185 -0.049 9.173 1.00 13.51 C ATOM 1693 O GLY A 103 -9.578 0.728 9.913 1.00 52.11 O ATOM 0 H GLY A 103 -12.790 -0.814 8.010 1.00 61.11 H new ATOM 0 HA2 GLY A 103 -12.134 0.087 10.050 1.00 35.30 H new ATOM 0 HA3 GLY A 103 -11.262 -1.377 10.462 1.00 35.30 H new ATOM 1697 N TYR A 104 -9.763 -0.360 7.935 1.00 43.02 N ATOM 1698 CA TYR A 104 -8.473 0.107 7.388 1.00 52.10 C ATOM 1699 C TYR A 104 -8.568 1.587 6.973 1.00 50.23 C ATOM 1700 O TYR A 104 -9.637 2.054 6.568 1.00 22.13 O ATOM 1701 CB TYR A 104 -8.055 -0.756 6.168 1.00 64.20 C ATOM 1702 CG TYR A 104 -8.096 -2.273 6.420 1.00 53.31 C ATOM 1703 CD1 TYR A 104 -7.604 -2.835 7.603 1.00 21.31 C ATOM 1704 CD2 TYR A 104 -8.629 -3.143 5.471 1.00 63.41 C ATOM 1705 CE1 TYR A 104 -7.651 -4.192 7.821 1.00 15.55 C ATOM 1706 CE2 TYR A 104 -8.679 -4.503 5.692 1.00 20.34 C ATOM 1707 CZ TYR A 104 -8.184 -5.020 6.865 1.00 55.53 C ATOM 1708 OH TYR A 104 -8.232 -6.374 7.088 1.00 64.21 O ATOM 0 H TYR A 104 -10.300 -0.937 7.288 1.00 43.02 H new ATOM 0 HA TYR A 104 -7.717 0.006 8.167 1.00 52.10 H new ATOM 0 HB2 TYR A 104 -8.711 -0.521 5.330 1.00 64.20 H new ATOM 0 HB3 TYR A 104 -7.045 -0.477 5.870 1.00 64.20 H new ATOM 0 HD1 TYR A 104 -7.179 -2.191 8.359 1.00 21.31 H new ATOM 0 HD2 TYR A 104 -9.011 -2.744 4.543 1.00 63.41 H new ATOM 0 HE1 TYR A 104 -7.269 -4.605 8.743 1.00 15.55 H new ATOM 0 HE2 TYR A 104 -9.105 -5.159 4.947 1.00 20.34 H new ATOM 0 HH TYR A 104 -8.639 -6.819 6.315 1.00 64.21 H new ATOM 1718 N ASP A 105 -7.450 2.321 7.084 1.00 65.21 N ATOM 1719 CA ASP A 105 -7.391 3.742 6.695 1.00 22.24 C ATOM 1720 C ASP A 105 -7.012 3.828 5.209 1.00 44.24 C ATOM 1721 O ASP A 105 -5.875 3.530 4.841 1.00 73.23 O ATOM 1722 CB ASP A 105 -6.369 4.496 7.575 1.00 0.35 C ATOM 1723 CG ASP A 105 -6.343 6.003 7.279 1.00 75.54 C ATOM 1724 OD1 ASP A 105 -7.236 6.733 7.759 1.00 64.33 O ATOM 1725 OD2 ASP A 105 -5.422 6.470 6.586 1.00 31.23 O ATOM 0 H ASP A 105 -6.569 1.953 7.442 1.00 65.21 H new ATOM 0 HA ASP A 105 -8.363 4.212 6.845 1.00 22.24 H new ATOM 0 HB2 ASP A 105 -6.612 4.339 8.626 1.00 0.35 H new ATOM 0 HB3 ASP A 105 -5.375 4.079 7.412 1.00 0.35 H new ATOM 1730 N VAL A 106 -7.978 4.201 4.353 1.00 14.21 N ATOM 1731 CA VAL A 106 -7.799 4.153 2.893 1.00 73.24 C ATOM 1732 C VAL A 106 -7.622 5.564 2.305 1.00 31.22 C ATOM 1733 O VAL A 106 -8.451 6.446 2.529 1.00 41.54 O ATOM 1734 CB VAL A 106 -9.012 3.428 2.190 1.00 4.11 C ATOM 1735 CG1 VAL A 106 -8.729 3.206 0.682 1.00 54.01 C ATOM 1736 CG2 VAL A 106 -9.333 2.092 2.889 1.00 35.45 C ATOM 0 H VAL A 106 -8.893 4.540 4.649 1.00 14.21 H new ATOM 0 HA VAL A 106 -6.892 3.580 2.701 1.00 73.24 H new ATOM 0 HB VAL A 106 -9.885 4.075 2.277 1.00 4.11 H new ATOM 0 HG11 VAL A 106 -9.581 2.705 0.222 1.00 54.01 H new ATOM 0 HG12 VAL A 106 -8.569 4.169 0.196 1.00 54.01 H new ATOM 0 HG13 VAL A 106 -7.838 2.588 0.566 1.00 54.01 H new ATOM 0 HG21 VAL A 106 -10.172 1.611 2.387 1.00 35.45 H new ATOM 0 HG22 VAL A 106 -8.461 1.439 2.845 1.00 35.45 H new ATOM 0 HG23 VAL A 106 -9.593 2.280 3.931 1.00 35.45 H new ATOM 1746 N TYR A 107 -6.511 5.763 1.590 1.00 54.43 N ATOM 1747 CA TYR A 107 -6.282 6.945 0.753 1.00 20.22 C ATOM 1748 C TYR A 107 -6.637 6.595 -0.712 1.00 1.53 C ATOM 1749 O TYR A 107 -6.579 5.426 -1.106 1.00 14.33 O ATOM 1750 CB TYR A 107 -4.801 7.383 0.823 1.00 52.41 C ATOM 1751 CG TYR A 107 -4.277 7.797 2.211 1.00 73.02 C ATOM 1752 CD1 TYR A 107 -3.854 6.848 3.134 1.00 72.50 C ATOM 1753 CD2 TYR A 107 -4.171 9.141 2.587 1.00 73.14 C ATOM 1754 CE1 TYR A 107 -3.349 7.212 4.368 1.00 34.22 C ATOM 1755 CE2 TYR A 107 -3.663 9.504 3.819 1.00 5.32 C ATOM 1756 CZ TYR A 107 -3.255 8.536 4.708 1.00 55.43 C ATOM 1757 OH TYR A 107 -2.747 8.895 5.943 1.00 45.20 O ATOM 0 H TYR A 107 -5.736 5.100 1.576 1.00 54.43 H new ATOM 0 HA TYR A 107 -6.907 7.762 1.114 1.00 20.22 H new ATOM 0 HB2 TYR A 107 -4.184 6.563 0.455 1.00 52.41 H new ATOM 0 HB3 TYR A 107 -4.659 8.220 0.140 1.00 52.41 H new ATOM 0 HD1 TYR A 107 -3.922 5.800 2.881 1.00 72.50 H new ATOM 0 HD2 TYR A 107 -4.493 9.910 1.900 1.00 73.14 H new ATOM 0 HE1 TYR A 107 -3.028 6.452 5.065 1.00 34.22 H new ATOM 0 HE2 TYR A 107 -3.586 10.548 4.085 1.00 5.32 H new ATOM 0 HH TYR A 107 -2.747 9.872 6.026 1.00 45.20 H new ATOM 1767 N THR A 108 -6.991 7.611 -1.508 1.00 1.23 N ATOM 1768 CA THR A 108 -7.283 7.457 -2.956 1.00 64.52 C ATOM 1769 C THR A 108 -6.582 8.569 -3.758 1.00 51.20 C ATOM 1770 O THR A 108 -6.318 9.656 -3.226 1.00 30.23 O ATOM 1771 CB THR A 108 -8.828 7.474 -3.230 1.00 12.33 C ATOM 1772 OG1 THR A 108 -9.439 8.587 -2.546 1.00 23.54 O ATOM 1773 CG2 THR A 108 -9.509 6.160 -2.795 1.00 75.05 C ATOM 0 H THR A 108 -7.086 8.570 -1.174 1.00 1.23 H new ATOM 0 HA THR A 108 -6.898 6.490 -3.279 1.00 64.52 H new ATOM 0 HB THR A 108 -8.966 7.579 -4.306 1.00 12.33 H new ATOM 0 HG1 THR A 108 -10.403 8.591 -2.724 1.00 23.54 H new ATOM 0 HG21 THR A 108 -10.577 6.217 -3.004 1.00 75.05 H new ATOM 0 HG22 THR A 108 -9.076 5.326 -3.347 1.00 75.05 H new ATOM 0 HG23 THR A 108 -9.356 6.007 -1.727 1.00 75.05 H new ATOM 1781 N SER A 109 -6.309 8.292 -5.047 1.00 1.22 N ATOM 1782 CA SER A 109 -5.536 9.187 -5.924 1.00 12.41 C ATOM 1783 C SER A 109 -5.973 9.022 -7.379 1.00 30.32 C ATOM 1784 O SER A 109 -6.155 7.896 -7.844 1.00 63.31 O ATOM 1785 CB SER A 109 -4.033 8.885 -5.761 1.00 65.22 C ATOM 1786 OG SER A 109 -3.759 7.504 -5.818 1.00 51.44 O ATOM 0 H SER A 109 -6.620 7.438 -5.509 1.00 1.22 H new ATOM 0 HA SER A 109 -5.722 10.223 -5.639 1.00 12.41 H new ATOM 0 HB2 SER A 109 -3.474 9.397 -6.544 1.00 65.22 H new ATOM 0 HB3 SER A 109 -3.685 9.284 -4.808 1.00 65.22 H new ATOM 0 HG SER A 109 -4.574 7.000 -5.614 1.00 51.44 H new ATOM 1792 N ARG A 110 -6.146 10.153 -8.090 1.00 53.41 N ATOM 1793 CA ARG A 110 -6.596 10.145 -9.496 1.00 32.24 C ATOM 1794 C ARG A 110 -5.414 9.937 -10.458 1.00 0.34 C ATOM 1795 O ARG A 110 -5.623 9.518 -11.595 1.00 65.25 O ATOM 1796 CB ARG A 110 -7.379 11.439 -9.873 1.00 24.53 C ATOM 1797 CG ARG A 110 -8.778 11.603 -9.213 1.00 5.03 C ATOM 1798 CD ARG A 110 -8.729 11.950 -7.709 1.00 51.15 C ATOM 1799 NE ARG A 110 -10.063 12.235 -7.168 1.00 1.31 N ATOM 1800 CZ ARG A 110 -10.418 13.336 -6.497 1.00 21.42 C ATOM 1801 NH1 ARG A 110 -9.544 14.306 -6.260 1.00 34.52 N ATOM 1802 NH2 ARG A 110 -11.661 13.455 -6.057 1.00 15.43 N ATOM 0 H ARG A 110 -5.980 11.086 -7.713 1.00 53.41 H new ATOM 0 HA ARG A 110 -7.282 9.304 -9.598 1.00 32.24 H new ATOM 0 HB2 ARG A 110 -6.769 12.301 -9.604 1.00 24.53 H new ATOM 0 HB3 ARG A 110 -7.504 11.462 -10.956 1.00 24.53 H new ATOM 0 HG2 ARG A 110 -9.326 12.386 -9.738 1.00 5.03 H new ATOM 0 HG3 ARG A 110 -9.340 10.678 -9.343 1.00 5.03 H new ATOM 0 HD2 ARG A 110 -8.284 11.120 -7.160 1.00 51.15 H new ATOM 0 HD3 ARG A 110 -8.084 12.815 -7.557 1.00 51.15 H new ATOM 0 HE ARG A 110 -10.785 11.530 -7.317 1.00 1.31 H new ATOM 0 HH11 ARG A 110 -8.583 14.219 -6.591 1.00 34.52 H new ATOM 0 HH12 ARG A 110 -9.833 15.139 -5.746 1.00 34.52 H new ATOM 0 HH21 ARG A 110 -12.337 12.711 -6.231 1.00 15.43 H new ATOM 0 HH22 ARG A 110 -11.943 14.290 -5.544 1.00 15.43 H new ATOM 1816 N ASN A 111 -4.182 10.245 -9.998 1.00 63.35 N ATOM 1817 CA ASN A 111 -2.948 9.999 -10.786 1.00 53.32 C ATOM 1818 C ASN A 111 -1.737 9.953 -9.838 1.00 12.43 C ATOM 1819 O ASN A 111 -1.920 10.001 -8.613 1.00 42.14 O ATOM 1820 CB ASN A 111 -2.780 11.072 -11.918 1.00 52.02 C ATOM 1821 CG ASN A 111 -2.109 12.392 -11.502 1.00 62.51 C ATOM 1822 OD1 ASN A 111 -0.903 12.554 -11.640 1.00 63.44 O ATOM 1823 ND2 ASN A 111 -2.866 13.315 -10.960 1.00 60.13 N ATOM 0 H ASN A 111 -4.012 10.665 -9.084 1.00 63.35 H new ATOM 0 HA ASN A 111 -3.022 9.034 -11.287 1.00 53.32 H new ATOM 0 HB2 ASN A 111 -2.197 10.630 -12.726 1.00 52.02 H new ATOM 0 HB3 ASN A 111 -3.766 11.301 -12.324 1.00 52.02 H new ATOM 0 HD21 ASN A 111 -2.453 14.192 -10.642 1.00 60.13 H new ATOM 0 HD22 ASN A 111 -3.868 13.156 -10.856 1.00 60.13 H new ATOM 1830 N GLU A 112 -0.513 9.879 -10.428 1.00 74.32 N ATOM 1831 CA GLU A 112 0.758 9.798 -9.689 1.00 21.43 C ATOM 1832 C GLU A 112 0.913 10.955 -8.688 1.00 64.21 C ATOM 1833 O GLU A 112 1.340 10.710 -7.574 1.00 11.33 O ATOM 1834 CB GLU A 112 1.970 9.729 -10.677 1.00 64.52 C ATOM 1835 CG GLU A 112 3.399 9.744 -10.034 1.00 44.12 C ATOM 1836 CD GLU A 112 3.894 11.148 -9.631 1.00 55.02 C ATOM 1837 OE1 GLU A 112 4.033 12.012 -10.507 1.00 65.21 O ATOM 1838 OE2 GLU A 112 4.101 11.403 -8.436 1.00 61.25 O ATOM 0 H GLU A 112 -0.390 9.874 -11.441 1.00 74.32 H new ATOM 0 HA GLU A 112 0.744 8.877 -9.107 1.00 21.43 H new ATOM 0 HB2 GLU A 112 1.873 8.821 -11.272 1.00 64.52 H new ATOM 0 HB3 GLU A 112 1.897 10.571 -11.366 1.00 64.52 H new ATOM 0 HG2 GLU A 112 3.395 9.105 -9.151 1.00 44.12 H new ATOM 0 HG3 GLU A 112 4.107 9.309 -10.739 1.00 44.12 H new ATOM 1845 N ASP A 113 0.595 12.202 -9.097 1.00 34.30 N ATOM 1846 CA ASP A 113 0.753 13.395 -8.229 1.00 71.24 C ATOM 1847 C ASP A 113 0.059 13.211 -6.865 1.00 0.34 C ATOM 1848 O ASP A 113 0.676 13.426 -5.808 1.00 3.41 O ATOM 1849 CB ASP A 113 0.202 14.669 -8.919 1.00 11.44 C ATOM 1850 CG ASP A 113 1.029 15.129 -10.125 1.00 14.13 C ATOM 1851 OD1 ASP A 113 2.219 15.433 -9.947 1.00 30.53 O ATOM 1852 OD2 ASP A 113 0.500 15.215 -11.246 1.00 0.21 O ATOM 0 H ASP A 113 0.226 12.412 -10.025 1.00 34.30 H new ATOM 0 HA ASP A 113 1.823 13.514 -8.059 1.00 71.24 H new ATOM 0 HB2 ASP A 113 -0.822 14.481 -9.243 1.00 11.44 H new ATOM 0 HB3 ASP A 113 0.162 15.477 -8.189 1.00 11.44 H new ATOM 1857 N GLU A 114 -1.219 12.788 -6.908 1.00 44.35 N ATOM 1858 CA GLU A 114 -1.994 12.489 -5.695 1.00 51.10 C ATOM 1859 C GLU A 114 -1.466 11.216 -5.010 1.00 40.11 C ATOM 1860 O GLU A 114 -1.518 11.120 -3.798 1.00 25.11 O ATOM 1861 CB GLU A 114 -3.511 12.338 -5.992 1.00 43.11 C ATOM 1862 CG GLU A 114 -4.221 13.610 -6.499 1.00 24.33 C ATOM 1863 CD GLU A 114 -3.994 13.900 -7.990 1.00 13.42 C ATOM 1864 OE1 GLU A 114 -4.727 13.326 -8.822 1.00 53.03 O ATOM 1865 OE2 GLU A 114 -3.099 14.705 -8.330 1.00 11.12 O ATOM 0 H GLU A 114 -1.736 12.646 -7.776 1.00 44.35 H new ATOM 0 HA GLU A 114 -1.869 13.338 -5.023 1.00 51.10 H new ATOM 0 HB2 GLU A 114 -3.641 11.551 -6.735 1.00 43.11 H new ATOM 0 HB3 GLU A 114 -4.009 12.004 -5.082 1.00 43.11 H new ATOM 0 HG2 GLU A 114 -5.291 13.513 -6.317 1.00 24.33 H new ATOM 0 HG3 GLU A 114 -3.875 14.464 -5.917 1.00 24.33 H new ATOM 1872 N ALA A 115 -0.952 10.254 -5.800 1.00 72.52 N ATOM 1873 CA ALA A 115 -0.458 8.959 -5.282 1.00 43.44 C ATOM 1874 C ALA A 115 0.760 9.155 -4.371 1.00 33.14 C ATOM 1875 O ALA A 115 0.782 8.646 -3.258 1.00 63.31 O ATOM 1876 CB ALA A 115 -0.122 8.018 -6.443 1.00 74.25 C ATOM 0 H ALA A 115 -0.867 10.350 -6.812 1.00 72.52 H new ATOM 0 HA ALA A 115 -1.249 8.507 -4.684 1.00 43.44 H new ATOM 0 HB1 ALA A 115 0.240 7.069 -6.049 1.00 74.25 H new ATOM 0 HB2 ALA A 115 -1.016 7.845 -7.041 1.00 74.25 H new ATOM 0 HB3 ALA A 115 0.649 8.470 -7.066 1.00 74.25 H new ATOM 1882 N LYS A 116 1.741 9.932 -4.868 1.00 65.15 N ATOM 1883 CA LYS A 116 2.940 10.350 -4.121 1.00 11.43 C ATOM 1884 C LYS A 116 2.554 11.156 -2.866 1.00 42.33 C ATOM 1885 O LYS A 116 3.162 10.991 -1.801 1.00 33.43 O ATOM 1886 CB LYS A 116 3.854 11.208 -5.047 1.00 62.21 C ATOM 1887 CG LYS A 116 5.077 11.855 -4.342 1.00 3.14 C ATOM 1888 CD LYS A 116 5.876 12.844 -5.244 1.00 74.21 C ATOM 1889 CE LYS A 116 6.961 12.182 -6.123 1.00 74.43 C ATOM 1890 NZ LYS A 116 6.452 11.188 -7.089 1.00 24.11 N ATOM 0 H LYS A 116 1.720 10.294 -5.821 1.00 65.15 H new ATOM 0 HA LYS A 116 3.479 9.459 -3.798 1.00 11.43 H new ATOM 0 HB2 LYS A 116 4.213 10.579 -5.862 1.00 62.21 H new ATOM 0 HB3 LYS A 116 3.252 11.998 -5.496 1.00 62.21 H new ATOM 0 HG2 LYS A 116 4.733 12.385 -3.454 1.00 3.14 H new ATOM 0 HG3 LYS A 116 5.748 11.066 -4.002 1.00 3.14 H new ATOM 0 HD2 LYS A 116 5.175 13.372 -5.891 1.00 74.21 H new ATOM 0 HD3 LYS A 116 6.349 13.593 -4.609 1.00 74.21 H new ATOM 0 HE2 LYS A 116 7.491 12.961 -6.670 1.00 74.43 H new ATOM 0 HE3 LYS A 116 7.689 11.697 -5.473 1.00 74.43 H new ATOM 0 HZ1 LYS A 116 7.174 11.010 -7.816 1.00 24.11 H new ATOM 0 HZ2 LYS A 116 6.235 10.301 -6.592 1.00 24.11 H new ATOM 0 HZ3 LYS A 116 5.589 11.553 -7.540 1.00 24.11 H new ATOM 1904 N LYS A 117 1.530 12.021 -3.022 1.00 53.23 N ATOM 1905 CA LYS A 117 1.003 12.875 -1.948 1.00 54.23 C ATOM 1906 C LYS A 117 0.486 11.984 -0.794 1.00 30.14 C ATOM 1907 O LYS A 117 0.930 12.114 0.350 1.00 74.42 O ATOM 1908 CB LYS A 117 -0.147 13.780 -2.519 1.00 42.32 C ATOM 1909 CG LYS A 117 -0.203 15.224 -1.976 1.00 43.12 C ATOM 1910 CD LYS A 117 -0.311 15.312 -0.437 1.00 24.44 C ATOM 1911 CE LYS A 117 -0.488 16.751 0.067 1.00 13.01 C ATOM 1912 NZ LYS A 117 0.570 17.669 -0.439 1.00 15.40 N ATOM 0 H LYS A 117 1.043 12.144 -3.910 1.00 53.23 H new ATOM 0 HA LYS A 117 1.791 13.521 -1.561 1.00 54.23 H new ATOM 0 HB2 LYS A 117 -0.044 13.824 -3.603 1.00 42.32 H new ATOM 0 HB3 LYS A 117 -1.101 13.297 -2.309 1.00 42.32 H new ATOM 0 HG2 LYS A 117 0.691 15.758 -2.298 1.00 43.12 H new ATOM 0 HG3 LYS A 117 -1.057 15.736 -2.420 1.00 43.12 H new ATOM 0 HD2 LYS A 117 -1.154 14.708 -0.102 1.00 24.44 H new ATOM 0 HD3 LYS A 117 0.586 14.883 0.010 1.00 24.44 H new ATOM 0 HE2 LYS A 117 -1.465 17.123 -0.242 1.00 13.01 H new ATOM 0 HE3 LYS A 117 -0.476 16.754 1.157 1.00 13.01 H new ATOM 0 HZ1 LYS A 117 0.475 18.596 0.022 1.00 15.40 H new ATOM 0 HZ2 LYS A 117 1.507 17.271 -0.225 1.00 15.40 H new ATOM 0 HZ3 LYS A 117 0.468 17.782 -1.468 1.00 15.40 H new ATOM 1926 N LYS A 118 -0.397 11.037 -1.155 1.00 64.34 N ATOM 1927 CA LYS A 118 -1.073 10.143 -0.205 1.00 11.31 C ATOM 1928 C LYS A 118 -0.093 9.129 0.402 1.00 54.13 C ATOM 1929 O LYS A 118 -0.270 8.692 1.544 1.00 3.10 O ATOM 1930 CB LYS A 118 -2.230 9.382 -0.908 1.00 45.43 C ATOM 1931 CG LYS A 118 -3.374 10.240 -1.524 1.00 44.41 C ATOM 1932 CD LYS A 118 -4.203 11.078 -0.508 1.00 21.55 C ATOM 1933 CE LYS A 118 -3.600 12.454 -0.174 1.00 71.52 C ATOM 1934 NZ LYS A 118 -4.383 13.162 0.875 1.00 44.51 N ATOM 0 H LYS A 118 -0.663 10.871 -2.126 1.00 64.34 H new ATOM 0 HA LYS A 118 -1.476 10.761 0.597 1.00 11.31 H new ATOM 0 HB2 LYS A 118 -1.800 8.772 -1.702 1.00 45.43 H new ATOM 0 HB3 LYS A 118 -2.673 8.697 -0.185 1.00 45.43 H new ATOM 0 HG2 LYS A 118 -2.941 10.918 -2.260 1.00 44.41 H new ATOM 0 HG3 LYS A 118 -4.053 9.578 -2.062 1.00 44.41 H new ATOM 0 HD2 LYS A 118 -5.206 11.223 -0.909 1.00 21.55 H new ATOM 0 HD3 LYS A 118 -4.307 10.507 0.415 1.00 21.55 H new ATOM 0 HE2 LYS A 118 -2.571 12.328 0.164 1.00 71.52 H new ATOM 0 HE3 LYS A 118 -3.566 13.065 -1.076 1.00 71.52 H new ATOM 0 HZ1 LYS A 118 -4.265 14.189 0.762 1.00 44.51 H new ATOM 0 HZ2 LYS A 118 -5.389 12.916 0.782 1.00 44.51 H new ATOM 0 HZ3 LYS A 118 -4.042 12.876 1.815 1.00 44.51 H new ATOM 1948 N LEU A 119 0.934 8.757 -0.388 1.00 13.10 N ATOM 1949 CA LEU A 119 1.916 7.735 -0.016 1.00 12.50 C ATOM 1950 C LEU A 119 2.888 8.268 1.032 1.00 2.22 C ATOM 1951 O LEU A 119 3.177 7.585 2.013 1.00 24.34 O ATOM 1952 CB LEU A 119 2.654 7.201 -1.276 1.00 60.25 C ATOM 1953 CG LEU A 119 3.681 6.035 -1.062 1.00 61.22 C ATOM 1954 CD1 LEU A 119 3.122 4.942 -0.133 1.00 14.34 C ATOM 1955 CD2 LEU A 119 4.102 5.422 -2.416 1.00 43.34 C ATOM 0 H LEU A 119 1.101 9.164 -1.308 1.00 13.10 H new ATOM 0 HA LEU A 119 1.388 6.895 0.435 1.00 12.50 H new ATOM 0 HB2 LEU A 119 1.903 6.863 -1.990 1.00 60.25 H new ATOM 0 HB3 LEU A 119 3.181 8.036 -1.738 1.00 60.25 H new ATOM 0 HG LEU A 119 4.559 6.463 -0.579 1.00 61.22 H new ATOM 0 HD11 LEU A 119 3.864 4.153 -0.011 1.00 14.34 H new ATOM 0 HD12 LEU A 119 2.890 5.375 0.840 1.00 14.34 H new ATOM 0 HD13 LEU A 119 2.215 4.523 -0.569 1.00 14.34 H new ATOM 0 HD21 LEU A 119 4.815 4.615 -2.244 1.00 43.34 H new ATOM 0 HD22 LEU A 119 3.223 5.027 -2.926 1.00 43.34 H new ATOM 0 HD23 LEU A 119 4.566 6.190 -3.035 1.00 43.34 H new ATOM 1967 N LYS A 120 3.386 9.487 0.824 1.00 62.12 N ATOM 1968 CA LYS A 120 4.286 10.141 1.779 1.00 44.53 C ATOM 1969 C LYS A 120 3.525 10.651 3.011 1.00 11.12 C ATOM 1970 O LYS A 120 4.118 10.783 4.088 1.00 3.12 O ATOM 1971 CB LYS A 120 5.159 11.209 1.094 1.00 63.03 C ATOM 1972 CG LYS A 120 6.053 10.588 -0.017 1.00 42.05 C ATOM 1973 CD LYS A 120 7.348 11.370 -0.287 1.00 11.24 C ATOM 1974 CE LYS A 120 7.120 12.776 -0.856 1.00 63.05 C ATOM 1975 NZ LYS A 120 8.422 13.424 -1.167 1.00 11.41 N ATOM 0 H LYS A 120 3.180 10.047 -0.004 1.00 62.12 H new ATOM 0 HA LYS A 120 4.985 9.395 2.157 1.00 44.53 H new ATOM 0 HB2 LYS A 120 4.521 11.979 0.661 1.00 63.03 H new ATOM 0 HB3 LYS A 120 5.788 11.698 1.838 1.00 63.03 H new ATOM 0 HG2 LYS A 120 6.309 9.567 0.266 1.00 42.05 H new ATOM 0 HG3 LYS A 120 5.478 10.528 -0.941 1.00 42.05 H new ATOM 0 HD2 LYS A 120 7.911 11.452 0.643 1.00 11.24 H new ATOM 0 HD3 LYS A 120 7.964 10.803 -0.984 1.00 11.24 H new ATOM 0 HE2 LYS A 120 6.511 12.716 -1.758 1.00 63.05 H new ATOM 0 HE3 LYS A 120 6.567 13.381 -0.138 1.00 63.05 H new ATOM 0 HZ1 LYS A 120 8.255 14.299 -1.704 1.00 11.41 H new ATOM 0 HZ2 LYS A 120 8.917 13.651 -0.281 1.00 11.41 H new ATOM 0 HZ3 LYS A 120 9.006 12.776 -1.734 1.00 11.41 H new ATOM 1989 N GLU A 121 2.211 10.946 2.848 1.00 30.31 N ATOM 1990 CA GLU A 121 1.292 11.113 3.994 1.00 64.25 C ATOM 1991 C GLU A 121 1.284 9.827 4.845 1.00 34.40 C ATOM 1992 O GLU A 121 1.483 9.886 6.054 1.00 22.41 O ATOM 1993 CB GLU A 121 -0.153 11.478 3.547 1.00 4.22 C ATOM 1994 CG GLU A 121 -0.349 12.961 3.134 1.00 32.42 C ATOM 1995 CD GLU A 121 -1.815 13.364 2.881 1.00 52.11 C ATOM 1996 OE1 GLU A 121 -2.738 12.593 3.224 1.00 71.44 O ATOM 1997 OE2 GLU A 121 -2.057 14.458 2.330 1.00 12.05 O ATOM 0 H GLU A 121 1.769 11.072 1.937 1.00 30.31 H new ATOM 0 HA GLU A 121 1.658 11.948 4.592 1.00 64.25 H new ATOM 0 HB2 GLU A 121 -0.431 10.841 2.707 1.00 4.22 H new ATOM 0 HB3 GLU A 121 -0.840 11.248 4.362 1.00 4.22 H new ATOM 0 HG2 GLU A 121 0.061 13.600 3.916 1.00 32.42 H new ATOM 0 HG3 GLU A 121 0.229 13.153 2.230 1.00 32.42 H new ATOM 2004 N ALA A 122 1.126 8.674 4.167 1.00 1.31 N ATOM 2005 CA ALA A 122 1.112 7.342 4.797 1.00 13.44 C ATOM 2006 C ALA A 122 2.464 6.993 5.445 1.00 74.14 C ATOM 2007 O ALA A 122 2.496 6.266 6.434 1.00 33.45 O ATOM 2008 CB ALA A 122 0.749 6.295 3.750 1.00 34.03 C ATOM 0 H ALA A 122 1.003 8.642 3.155 1.00 1.31 H new ATOM 0 HA ALA A 122 0.367 7.353 5.592 1.00 13.44 H new ATOM 0 HB1 ALA A 122 0.737 5.308 4.212 1.00 34.03 H new ATOM 0 HB2 ALA A 122 -0.237 6.516 3.341 1.00 34.03 H new ATOM 0 HB3 ALA A 122 1.487 6.312 2.948 1.00 34.03 H new ATOM 2014 N LEU A 123 3.568 7.513 4.864 1.00 4.43 N ATOM 2015 CA LEU A 123 4.929 7.323 5.405 1.00 51.52 C ATOM 2016 C LEU A 123 5.105 8.095 6.726 1.00 21.41 C ATOM 2017 O LEU A 123 5.647 7.568 7.697 1.00 44.44 O ATOM 2018 CB LEU A 123 6.005 7.745 4.362 1.00 45.00 C ATOM 2019 CG LEU A 123 6.116 6.834 3.095 1.00 41.15 C ATOM 2020 CD1 LEU A 123 7.150 7.390 2.095 1.00 45.33 C ATOM 2021 CD2 LEU A 123 6.448 5.375 3.484 1.00 40.11 C ATOM 0 H LEU A 123 3.540 8.073 4.012 1.00 4.43 H new ATOM 0 HA LEU A 123 5.066 6.262 5.615 1.00 51.52 H new ATOM 0 HB2 LEU A 123 5.790 8.763 4.037 1.00 45.00 H new ATOM 0 HB3 LEU A 123 6.976 7.767 4.857 1.00 45.00 H new ATOM 0 HG LEU A 123 5.144 6.835 2.602 1.00 41.15 H new ATOM 0 HD11 LEU A 123 7.204 6.735 1.226 1.00 45.33 H new ATOM 0 HD12 LEU A 123 6.850 8.389 1.779 1.00 45.33 H new ATOM 0 HD13 LEU A 123 8.128 7.440 2.573 1.00 45.33 H new ATOM 0 HD21 LEU A 123 6.519 4.765 2.583 1.00 40.11 H new ATOM 0 HD22 LEU A 123 7.399 5.348 4.016 1.00 40.11 H new ATOM 0 HD23 LEU A 123 5.661 4.982 4.127 1.00 40.11 H new ATOM 2033 N GLU A 124 4.621 9.340 6.770 1.00 62.34 N ATOM 2034 CA GLU A 124 4.668 10.156 7.996 1.00 5.42 C ATOM 2035 C GLU A 124 3.638 9.669 9.040 1.00 51.32 C ATOM 2036 O GLU A 124 3.858 9.787 10.251 1.00 23.13 O ATOM 2037 CB GLU A 124 4.456 11.645 7.657 1.00 31.42 C ATOM 2038 CG GLU A 124 5.529 12.240 6.702 1.00 72.33 C ATOM 2039 CD GLU A 124 5.712 13.745 6.902 1.00 51.32 C ATOM 2040 OE1 GLU A 124 6.556 14.138 7.736 1.00 30.45 O ATOM 2041 OE2 GLU A 124 4.981 14.535 6.277 1.00 14.14 O ATOM 0 H GLU A 124 4.191 9.809 5.972 1.00 62.34 H new ATOM 0 HA GLU A 124 5.656 10.041 8.441 1.00 5.42 H new ATOM 0 HB2 GLU A 124 3.473 11.766 7.202 1.00 31.42 H new ATOM 0 HB3 GLU A 124 4.451 12.220 8.583 1.00 31.42 H new ATOM 0 HG2 GLU A 124 6.481 11.735 6.868 1.00 72.33 H new ATOM 0 HG3 GLU A 124 5.241 12.045 5.669 1.00 72.33 H new ATOM 2048 N LYS A 125 2.536 9.097 8.541 1.00 55.53 N ATOM 2049 CA LYS A 125 1.419 8.573 9.348 1.00 12.42 C ATOM 2050 C LYS A 125 1.801 7.212 9.953 1.00 12.00 C ATOM 2051 O LYS A 125 1.298 6.826 11.015 1.00 72.54 O ATOM 2052 CB LYS A 125 0.169 8.487 8.420 1.00 43.14 C ATOM 2053 CG LYS A 125 -1.191 8.225 9.098 1.00 25.55 C ATOM 2054 CD LYS A 125 -1.564 6.731 9.217 1.00 41.41 C ATOM 2055 CE LYS A 125 -3.005 6.544 9.701 1.00 41.43 C ATOM 2056 NZ LYS A 125 -3.965 7.270 8.830 1.00 53.03 N ATOM 0 H LYS A 125 2.389 8.981 7.538 1.00 55.53 H new ATOM 0 HA LYS A 125 1.190 9.229 10.188 1.00 12.42 H new ATOM 0 HB2 LYS A 125 0.095 9.421 7.864 1.00 43.14 H new ATOM 0 HB3 LYS A 125 0.342 7.695 7.691 1.00 43.14 H new ATOM 0 HG2 LYS A 125 -1.177 8.665 10.095 1.00 25.55 H new ATOM 0 HG3 LYS A 125 -1.970 8.738 8.534 1.00 25.55 H new ATOM 0 HD2 LYS A 125 -1.440 6.247 8.249 1.00 41.41 H new ATOM 0 HD3 LYS A 125 -0.881 6.239 9.909 1.00 41.41 H new ATOM 0 HE2 LYS A 125 -3.252 5.482 9.713 1.00 41.43 H new ATOM 0 HE3 LYS A 125 -3.096 6.904 10.726 1.00 41.43 H new ATOM 0 HZ1 LYS A 125 -4.938 7.030 9.110 1.00 53.03 H new ATOM 0 HZ2 LYS A 125 -3.819 8.295 8.931 1.00 53.03 H new ATOM 0 HZ3 LYS A 125 -3.812 6.994 7.839 1.00 53.03 H new ATOM 2070 N SER A 126 2.699 6.493 9.264 1.00 53.33 N ATOM 2071 CA SER A 126 3.278 5.248 9.777 1.00 11.15 C ATOM 2072 C SER A 126 4.382 5.560 10.788 1.00 52.20 C ATOM 2073 O SER A 126 4.631 4.776 11.705 1.00 41.01 O ATOM 2074 CB SER A 126 3.810 4.382 8.629 1.00 72.14 C ATOM 2075 OG SER A 126 4.798 5.036 7.871 1.00 44.13 O ATOM 0 H SER A 126 3.041 6.758 8.341 1.00 53.33 H new ATOM 0 HA SER A 126 2.497 4.682 10.284 1.00 11.15 H new ATOM 0 HB2 SER A 126 4.222 3.458 9.036 1.00 72.14 H new ATOM 0 HB3 SER A 126 2.983 4.102 7.977 1.00 72.14 H new ATOM 0 HG SER A 126 4.859 5.973 8.152 1.00 44.13 H new ATOM 2081 N GLY A 127 5.042 6.717 10.589 1.00 63.52 N ATOM 2082 CA GLY A 127 5.996 7.270 11.552 1.00 72.32 C ATOM 2083 C GLY A 127 7.429 7.377 11.034 1.00 53.25 C ATOM 2084 O GLY A 127 8.330 7.648 11.831 1.00 22.03 O ATOM 0 H GLY A 127 4.924 7.290 9.753 1.00 63.52 H new ATOM 0 HA2 GLY A 127 5.657 8.261 11.852 1.00 72.32 H new ATOM 0 HA3 GLY A 127 5.992 6.647 12.447 1.00 72.32 H new ATOM 2088 N SER A 128 7.661 7.163 9.714 1.00 5.23 N ATOM 2089 CA SER A 128 9.006 7.331 9.112 1.00 54.03 C ATOM 2090 C SER A 128 9.368 8.828 9.025 1.00 72.42 C ATOM 2091 O SER A 128 10.529 9.205 9.232 1.00 34.40 O ATOM 2092 CB SER A 128 9.088 6.663 7.710 1.00 35.54 C ATOM 2093 OG SER A 128 8.258 7.309 6.762 1.00 21.12 O ATOM 0 H SER A 128 6.940 6.876 9.052 1.00 5.23 H new ATOM 0 HA SER A 128 9.729 6.832 9.757 1.00 54.03 H new ATOM 0 HB2 SER A 128 10.120 6.682 7.360 1.00 35.54 H new ATOM 0 HB3 SER A 128 8.798 5.615 7.791 1.00 35.54 H new ATOM 0 HG SER A 128 7.339 7.340 7.100 1.00 21.12 H new ATOM 2099 N LEU A 129 8.347 9.658 8.697 1.00 53.32 N ATOM 2100 CA LEU A 129 8.447 11.137 8.622 1.00 21.55 C ATOM 2101 C LEU A 129 9.380 11.601 7.483 1.00 33.21 C ATOM 2102 O LEU A 129 10.080 10.793 6.858 1.00 51.41 O ATOM 2103 CB LEU A 129 8.856 11.767 9.992 1.00 45.22 C ATOM 2104 CG LEU A 129 7.845 11.555 11.168 1.00 32.21 C ATOM 2105 CD1 LEU A 129 8.417 12.092 12.495 1.00 44.52 C ATOM 2106 CD2 LEU A 129 6.476 12.203 10.856 1.00 70.44 C ATOM 0 H LEU A 129 7.414 9.312 8.473 1.00 53.32 H new ATOM 0 HA LEU A 129 7.448 11.503 8.385 1.00 21.55 H new ATOM 0 HB2 LEU A 129 9.820 11.353 10.288 1.00 45.22 H new ATOM 0 HB3 LEU A 129 8.999 12.838 9.850 1.00 45.22 H new ATOM 0 HG LEU A 129 7.688 10.482 11.278 1.00 32.21 H new ATOM 0 HD11 LEU A 129 7.694 11.932 13.294 1.00 44.52 H new ATOM 0 HD12 LEU A 129 9.342 11.566 12.732 1.00 44.52 H new ATOM 0 HD13 LEU A 129 8.620 13.158 12.398 1.00 44.52 H new ATOM 0 HD21 LEU A 129 5.796 12.038 11.692 1.00 70.44 H new ATOM 0 HD22 LEU A 129 6.607 13.274 10.701 1.00 70.44 H new ATOM 0 HD23 LEU A 129 6.058 11.754 9.955 1.00 70.44 H new ATOM 2118 N GLU A 130 9.328 12.909 7.174 1.00 10.02 N ATOM 2119 CA GLU A 130 10.213 13.525 6.176 1.00 42.32 C ATOM 2120 C GLU A 130 11.563 13.879 6.833 1.00 22.15 C ATOM 2121 O GLU A 130 11.627 14.669 7.783 1.00 23.02 O ATOM 2122 CB GLU A 130 9.548 14.770 5.516 1.00 55.23 C ATOM 2123 CG GLU A 130 9.081 15.879 6.487 1.00 13.01 C ATOM 2124 CD GLU A 130 8.675 17.180 5.785 1.00 53.11 C ATOM 2125 OE1 GLU A 130 7.571 17.242 5.215 1.00 62.10 O ATOM 2126 OE2 GLU A 130 9.456 18.155 5.808 1.00 4.44 O ATOM 0 H GLU A 130 8.675 13.563 7.607 1.00 10.02 H new ATOM 0 HA GLU A 130 10.394 12.809 5.375 1.00 42.32 H new ATOM 0 HB2 GLU A 130 10.256 15.205 4.811 1.00 55.23 H new ATOM 0 HB3 GLU A 130 8.688 14.434 4.937 1.00 55.23 H new ATOM 0 HG2 GLU A 130 8.235 15.510 7.067 1.00 13.01 H new ATOM 0 HG3 GLU A 130 9.883 16.093 7.194 1.00 13.01 H new ATOM 2133 N HIS A 131 12.636 13.246 6.344 1.00 53.20 N ATOM 2134 CA HIS A 131 14.011 13.462 6.851 1.00 63.41 C ATOM 2135 C HIS A 131 14.584 14.755 6.255 1.00 2.44 C ATOM 2136 O HIS A 131 15.364 15.470 6.892 1.00 71.34 O ATOM 2137 CB HIS A 131 14.897 12.248 6.490 1.00 70.40 C ATOM 2138 CG HIS A 131 14.417 10.954 7.093 1.00 73.03 C ATOM 2139 ND1 HIS A 131 15.086 10.360 8.127 1.00 52.22 N ATOM 2140 CD2 HIS A 131 13.333 10.200 6.783 1.00 34.22 C ATOM 2141 CE1 HIS A 131 14.406 9.275 8.422 1.00 60.21 C ATOM 2142 NE2 HIS A 131 13.336 9.137 7.635 1.00 52.22 N ATOM 0 H HIS A 131 12.583 12.567 5.585 1.00 53.20 H new ATOM 0 HA HIS A 131 13.990 13.562 7.936 1.00 63.41 H new ATOM 0 HB2 HIS A 131 14.932 12.143 5.406 1.00 70.40 H new ATOM 0 HB3 HIS A 131 15.916 12.440 6.825 1.00 70.40 H new ATOM 0 HD2 HIS A 131 12.607 10.403 6.010 1.00 34.22 H new ATOM 0 HE1 HIS A 131 14.679 8.581 9.204 1.00 60.21 H new ATOM 0 HE2 HIS A 131 12.652 8.381 7.666 1.00 52.22 H new ATOM 2150 N HIS A 132 14.174 15.018 5.014 1.00 40.10 N ATOM 2151 CA HIS A 132 14.455 16.256 4.283 1.00 51.31 C ATOM 2152 C HIS A 132 13.193 17.139 4.270 1.00 22.53 C ATOM 2153 O HIS A 132 12.112 16.694 4.668 1.00 62.22 O ATOM 2154 CB HIS A 132 14.891 15.903 2.841 1.00 21.55 C ATOM 2155 CG HIS A 132 13.847 15.130 2.058 1.00 61.54 C ATOM 2156 ND1 HIS A 132 13.515 13.835 2.390 1.00 25.43 N ATOM 2157 CD2 HIS A 132 13.068 15.523 1.017 1.00 64.32 C ATOM 2158 CE1 HIS A 132 12.560 13.478 1.551 1.00 32.21 C ATOM 2159 NE2 HIS A 132 12.262 14.465 0.708 1.00 54.12 N ATOM 0 H HIS A 132 13.620 14.355 4.472 1.00 40.10 H new ATOM 0 HA HIS A 132 15.259 16.807 4.770 1.00 51.31 H new ATOM 0 HB2 HIS A 132 15.125 16.824 2.306 1.00 21.55 H new ATOM 0 HB3 HIS A 132 15.809 15.317 2.882 1.00 21.55 H new ATOM 0 HD2 HIS A 132 13.083 16.486 0.528 1.00 64.32 H new ATOM 0 HE1 HIS A 132 12.082 12.510 1.549 1.00 32.21 H new ATOM 0 HE2 HIS A 132 11.561 14.436 -0.032 1.00 54.12 H new ATOM 2167 N HIS A 133 13.336 18.384 3.803 1.00 14.40 N ATOM 2168 CA HIS A 133 12.209 19.315 3.635 1.00 13.40 C ATOM 2169 C HIS A 133 12.255 19.909 2.225 1.00 32.22 C ATOM 2170 O HIS A 133 13.343 20.066 1.654 1.00 15.42 O ATOM 2171 CB HIS A 133 12.251 20.428 4.723 1.00 31.41 C ATOM 2172 CG HIS A 133 13.446 21.343 4.643 1.00 4.43 C ATOM 2173 ND1 HIS A 133 14.643 21.073 5.272 1.00 73.35 N ATOM 2174 CD2 HIS A 133 13.620 22.535 4.019 1.00 33.54 C ATOM 2175 CE1 HIS A 133 15.502 22.038 5.015 1.00 32.54 C ATOM 2176 NE2 HIS A 133 14.903 22.935 4.265 1.00 53.24 N ATOM 0 H HIS A 133 14.237 18.777 3.530 1.00 14.40 H new ATOM 0 HA HIS A 133 11.269 18.778 3.759 1.00 13.40 H new ATOM 0 HB2 HIS A 133 11.345 21.029 4.644 1.00 31.41 H new ATOM 0 HB3 HIS A 133 12.236 19.957 5.706 1.00 31.41 H new ATOM 0 HD2 HIS A 133 12.883 23.068 3.437 1.00 33.54 H new ATOM 0 HE1 HIS A 133 16.524 22.084 5.362 1.00 32.54 H new ATOM 0 HE2 HIS A 133 15.329 23.795 3.920 1.00 53.24 H new ATOM 2185 N HIS A 134 11.079 20.211 1.655 1.00 75.04 N ATOM 2186 CA HIS A 134 10.962 20.892 0.350 1.00 43.11 C ATOM 2187 C HIS A 134 10.404 22.314 0.563 1.00 2.13 C ATOM 2188 O HIS A 134 9.284 22.476 1.059 1.00 32.14 O ATOM 2189 CB HIS A 134 10.088 20.068 -0.645 1.00 64.30 C ATOM 2190 CG HIS A 134 8.672 19.763 -0.197 1.00 24.22 C ATOM 2191 ND1 HIS A 134 7.604 20.604 -0.444 1.00 34.33 N ATOM 2192 CD2 HIS A 134 8.148 18.688 0.442 1.00 44.41 C ATOM 2193 CE1 HIS A 134 6.498 20.061 0.024 1.00 63.42 C ATOM 2194 NE2 HIS A 134 6.804 18.903 0.561 1.00 41.10 N ATOM 0 H HIS A 134 10.180 19.991 2.083 1.00 75.04 H new ATOM 0 HA HIS A 134 11.951 20.971 -0.101 1.00 43.11 H new ATOM 0 HB2 HIS A 134 10.039 20.611 -1.589 1.00 64.30 H new ATOM 0 HB3 HIS A 134 10.595 19.124 -0.846 1.00 64.30 H new ATOM 0 HD2 HIS A 134 8.692 17.823 0.792 1.00 44.41 H new ATOM 0 HE1 HIS A 134 5.510 20.494 -0.026 1.00 63.42 H new ATOM 0 HE2 HIS A 134 6.141 18.263 0.999 1.00 41.10 H new ATOM 2203 N HIS A 135 11.216 23.332 0.213 1.00 4.21 N ATOM 2204 CA HIS A 135 10.866 24.756 0.404 1.00 1.23 C ATOM 2205 C HIS A 135 11.918 25.651 -0.274 1.00 43.44 C ATOM 2206 O HIS A 135 13.113 25.541 0.040 1.00 11.30 O ATOM 2207 CB HIS A 135 10.766 25.111 1.920 1.00 62.44 C ATOM 2208 CG HIS A 135 10.276 26.515 2.213 1.00 13.32 C ATOM 2209 ND1 HIS A 135 11.120 27.602 2.316 1.00 64.41 N ATOM 2210 CD2 HIS A 135 9.025 27.001 2.437 1.00 44.52 C ATOM 2211 CE1 HIS A 135 10.420 28.681 2.588 1.00 50.32 C ATOM 2212 NE2 HIS A 135 9.148 28.346 2.667 1.00 33.22 N ATOM 0 H HIS A 135 12.133 23.191 -0.210 1.00 4.21 H new ATOM 0 HA HIS A 135 9.892 24.931 -0.053 1.00 1.23 H new ATOM 0 HB2 HIS A 135 10.096 24.399 2.402 1.00 62.44 H new ATOM 0 HB3 HIS A 135 11.748 24.982 2.375 1.00 62.44 H new ATOM 0 HD2 HIS A 135 8.107 26.433 2.434 1.00 44.52 H new ATOM 0 HE1 HIS A 135 10.820 29.675 2.724 1.00 50.32 H new ATOM 0 HE2 HIS A 135 8.379 28.985 2.867 1.00 33.22 H new ATOM 2221 N HIS A 136 11.446 26.538 -1.182 1.00 31.43 N ATOM 2222 CA HIS A 136 12.279 27.525 -1.915 1.00 14.53 C ATOM 2223 C HIS A 136 13.367 26.805 -2.767 1.00 52.44 C ATOM 2224 O HIS A 136 14.549 26.769 -2.368 1.00 50.40 O ATOM 2225 CB HIS A 136 12.874 28.588 -0.927 1.00 51.42 C ATOM 2226 CG HIS A 136 13.630 29.712 -1.596 1.00 55.22 C ATOM 2227 ND1 HIS A 136 15.001 29.696 -1.782 1.00 53.22 N ATOM 2228 CD2 HIS A 136 13.202 30.883 -2.126 1.00 62.24 C ATOM 2229 CE1 HIS A 136 15.375 30.798 -2.394 1.00 42.32 C ATOM 2230 NE2 HIS A 136 14.306 31.536 -2.614 1.00 64.22 N ATOM 2231 OXT HIS A 136 13.022 26.229 -3.814 1.00 38.22 O ATOM 0 H HIS A 136 10.458 26.590 -1.431 1.00 31.43 H new ATOM 0 HA HIS A 136 11.650 28.072 -2.617 1.00 14.53 H new ATOM 0 HB2 HIS A 136 12.061 29.014 -0.339 1.00 51.42 H new ATOM 0 HB3 HIS A 136 13.542 28.083 -0.229 1.00 51.42 H new ATOM 0 HD2 HIS A 136 12.182 31.237 -2.158 1.00 62.24 H new ATOM 0 HE1 HIS A 136 16.387 31.055 -2.670 1.00 42.32 H new ATOM 0 HE2 HIS A 136 14.300 32.447 -3.073 1.00 64.22 H new TER 2240 HIS A 136