USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 607 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 15 TYR OH : rot 130:sc= -0.0196 USER MOD Set 1.2: A 34 MET CE :methyl -147:sc= -1.67! (180deg=-1.84) USER MOD Set 2.1: A 10 ASN : amide:sc= -0.903 K(o=-1.1,f=-1.8) USER MOD Set 2.2: A 38 MET CE :methyl -157:sc= -0.236 (180deg=-0.628) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 154:sc= 0.0269 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 80:sc= 0.53 USER MOD Single : A 9 THR OG1 : rot -122:sc= -0.0345 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 20 LYS NZ :NH3+ -164:sc= 0.534 (180deg=0.261) USER MOD Single : A 24 MET CE :methyl -128:sc= 0 (180deg=-1.14) USER MOD Single : A 26 ASN : amide:sc= -0.059 K(o=-0.059,f=-0.84) USER MOD Single : A 28 ASN : amide:sc= 0.519 K(o=0.52,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 173:sc= 0.556 (180deg=0.53) USER MOD Single : A 45 THR OG1 : rot 76:sc= 0.571 USER MOD Single : A 48 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.012) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.247 USER MOD Single : A 55 ASN : amide:sc= -1.76! C(o=-1.8!,f=-5.4!) USER MOD Single : A 57 TYR OH : rot -61:sc= -1.38 USER MOD Single : A 71 HIS : no HE2:sc= 0.0373 X(o=0.037,f=-0.2) USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.488 -6.291 3.298 1.00 61.14 N ATOM 2 CA MET A 1 -14.485 -5.338 2.782 1.00 71.11 C ATOM 3 C MET A 1 -13.582 -4.855 3.901 1.00 3.14 C ATOM 4 O MET A 1 -13.984 -4.827 5.064 1.00 51.41 O ATOM 5 CB MET A 1 -15.175 -4.141 2.128 1.00 50.54 C ATOM 6 CG MET A 1 -14.886 -4.015 0.643 1.00 0.33 C ATOM 7 SD MET A 1 -13.150 -3.692 0.286 1.00 61.04 S ATOM 8 CE MET A 1 -13.202 -3.642 -1.501 1.00 42.42 C ATOM 0 H1 MET A 1 -16.329 -6.275 2.686 1.00 61.14 H new ATOM 0 H2 MET A 1 -15.084 -7.249 3.307 1.00 61.14 H new ATOM 0 H3 MET A 1 -15.759 -6.021 4.265 1.00 61.14 H new ATOM 0 HA MET A 1 -13.880 -5.854 2.037 1.00 71.11 H new ATOM 0 HB2 MET A 1 -16.252 -4.227 2.275 1.00 50.54 H new ATOM 0 HB3 MET A 1 -14.857 -3.228 2.631 1.00 50.54 H new ATOM 0 HG2 MET A 1 -15.189 -4.934 0.141 1.00 0.33 H new ATOM 0 HG3 MET A 1 -15.492 -3.210 0.228 1.00 0.33 H new ATOM 0 HE1 MET A 1 -12.202 -3.450 -1.889 1.00 42.42 H new ATOM 0 HE2 MET A 1 -13.561 -4.598 -1.881 1.00 42.42 H new ATOM 0 HE3 MET A 1 -13.875 -2.847 -1.823 1.00 42.42 H new ATOM 20 N ILE A 2 -12.359 -4.485 3.542 1.00 13.12 N ATOM 21 CA ILE A 2 -11.427 -3.901 4.491 1.00 40.32 C ATOM 22 C ILE A 2 -11.568 -2.370 4.453 1.00 34.43 C ATOM 23 O ILE A 2 -11.817 -1.777 3.393 1.00 62.22 O ATOM 24 CB ILE A 2 -9.951 -4.367 4.219 1.00 32.04 C ATOM 25 CG1 ILE A 2 -9.002 -3.909 5.351 1.00 71.30 C ATOM 26 CG2 ILE A 2 -9.451 -3.878 2.857 1.00 73.53 C ATOM 27 CD1 ILE A 2 -7.601 -4.482 5.259 1.00 74.22 C ATOM 0 H ILE A 2 -11.991 -4.581 2.596 1.00 13.12 H new ATOM 0 HA ILE A 2 -11.670 -4.251 5.494 1.00 40.32 H new ATOM 0 HB ILE A 2 -9.952 -5.457 4.201 1.00 32.04 H new ATOM 0 HG12 ILE A 2 -8.939 -2.821 5.339 1.00 71.30 H new ATOM 0 HG13 ILE A 2 -9.436 -4.192 6.310 1.00 71.30 H new ATOM 0 HG21 ILE A 2 -8.427 -4.218 2.702 1.00 73.53 H new ATOM 0 HG22 ILE A 2 -10.090 -4.278 2.070 1.00 73.53 H new ATOM 0 HG23 ILE A 2 -9.480 -2.789 2.829 1.00 73.53 H new ATOM 0 HD11 ILE A 2 -7.001 -4.111 6.090 1.00 74.22 H new ATOM 0 HD12 ILE A 2 -7.649 -5.570 5.304 1.00 74.22 H new ATOM 0 HD13 ILE A 2 -7.144 -4.177 4.317 1.00 74.22 H new ATOM 39 N ARG A 3 -11.472 -1.741 5.614 1.00 34.11 N ATOM 40 CA ARG A 3 -11.585 -0.303 5.691 1.00 13.21 C ATOM 41 C ARG A 3 -10.194 0.315 5.641 1.00 42.10 C ATOM 42 O ARG A 3 -9.509 0.439 6.658 1.00 20.40 O ATOM 43 CB ARG A 3 -12.338 0.117 6.962 1.00 23.53 C ATOM 44 CG ARG A 3 -13.166 1.401 6.826 1.00 63.33 C ATOM 45 CD ARG A 3 -12.308 2.656 6.742 1.00 62.24 C ATOM 46 NE ARG A 3 -13.112 3.865 6.567 1.00 70.25 N ATOM 47 CZ ARG A 3 -12.709 5.097 6.885 1.00 70.42 C ATOM 48 NH1 ARG A 3 -11.498 5.313 7.384 1.00 71.51 N ATOM 49 NH2 ARG A 3 -13.522 6.121 6.694 1.00 43.20 N ATOM 0 H ARG A 3 -11.317 -2.206 6.509 1.00 34.11 H new ATOM 0 HA ARG A 3 -12.161 0.060 4.840 1.00 13.21 H new ATOM 0 HB2 ARG A 3 -13.001 -0.696 7.260 1.00 23.53 H new ATOM 0 HB3 ARG A 3 -11.616 0.251 7.767 1.00 23.53 H new ATOM 0 HG2 ARG A 3 -13.788 1.333 5.934 1.00 63.33 H new ATOM 0 HG3 ARG A 3 -13.840 1.484 7.679 1.00 63.33 H new ATOM 0 HD2 ARG A 3 -11.711 2.747 7.649 1.00 62.24 H new ATOM 0 HD3 ARG A 3 -11.611 2.562 5.910 1.00 62.24 H new ATOM 0 HE ARG A 3 -14.047 3.759 6.174 1.00 70.25 H new ATOM 0 HH11 ARG A 3 -10.860 4.531 7.530 1.00 71.51 H new ATOM 0 HH12 ARG A 3 -11.206 6.261 7.622 1.00 71.51 H new ATOM 0 HH21 ARG A 3 -14.453 5.968 6.305 1.00 43.20 H new ATOM 0 HH22 ARG A 3 -13.219 7.065 6.935 1.00 43.20 H new ATOM 63 N LEU A 4 -9.777 0.647 4.436 1.00 4.12 N ATOM 64 CA LEU A 4 -8.564 1.400 4.229 1.00 1.43 C ATOM 65 C LEU A 4 -8.932 2.810 3.851 1.00 71.34 C ATOM 66 O LEU A 4 -10.014 3.054 3.303 1.00 15.30 O ATOM 67 CB LEU A 4 -7.681 0.766 3.149 1.00 43.41 C ATOM 68 CG LEU A 4 -7.055 -0.578 3.527 1.00 44.32 C ATOM 69 CD1 LEU A 4 -6.264 -1.146 2.363 1.00 73.33 C ATOM 70 CD2 LEU A 4 -6.154 -0.421 4.737 1.00 54.10 C ATOM 0 H LEU A 4 -10.270 0.402 3.577 1.00 4.12 H new ATOM 0 HA LEU A 4 -7.985 1.399 5.153 1.00 1.43 H new ATOM 0 HB2 LEU A 4 -8.278 0.630 2.247 1.00 43.41 H new ATOM 0 HB3 LEU A 4 -6.882 1.464 2.900 1.00 43.41 H new ATOM 0 HG LEU A 4 -7.860 -1.271 3.774 1.00 44.32 H new ATOM 0 HD11 LEU A 4 -5.827 -2.102 2.652 1.00 73.33 H new ATOM 0 HD12 LEU A 4 -6.927 -1.293 1.510 1.00 73.33 H new ATOM 0 HD13 LEU A 4 -5.470 -0.452 2.090 1.00 73.33 H new ATOM 0 HD21 LEU A 4 -5.717 -1.386 4.993 1.00 54.10 H new ATOM 0 HD22 LEU A 4 -5.359 0.289 4.509 1.00 54.10 H new ATOM 0 HD23 LEU A 4 -6.738 -0.053 5.580 1.00 54.10 H new ATOM 82 N THR A 5 -8.049 3.733 4.170 1.00 53.40 N ATOM 83 CA THR A 5 -8.254 5.129 3.852 1.00 12.44 C ATOM 84 C THR A 5 -8.041 5.349 2.348 1.00 41.05 C ATOM 85 O THR A 5 -7.373 4.550 1.690 1.00 73.21 O ATOM 86 CB THR A 5 -7.291 6.015 4.671 1.00 22.44 C ATOM 87 OG1 THR A 5 -7.068 5.434 5.963 1.00 22.12 O ATOM 88 CG2 THR A 5 -7.873 7.394 4.877 1.00 53.41 C ATOM 0 H THR A 5 -7.173 3.537 4.655 1.00 53.40 H new ATOM 0 HA THR A 5 -9.275 5.409 4.111 1.00 12.44 H new ATOM 0 HB THR A 5 -6.356 6.088 4.116 1.00 22.44 H new ATOM 0 HG1 THR A 5 -6.408 4.714 5.888 1.00 22.12 H new ATOM 0 HG21 THR A 5 -7.177 8.000 5.457 1.00 53.41 H new ATOM 0 HG22 THR A 5 -8.045 7.865 3.909 1.00 53.41 H new ATOM 0 HG23 THR A 5 -8.818 7.314 5.414 1.00 53.41 H new ATOM 96 N ILE A 6 -8.630 6.418 1.812 1.00 23.20 N ATOM 97 CA ILE A 6 -8.558 6.726 0.380 1.00 5.34 C ATOM 98 C ILE A 6 -7.116 7.024 -0.050 1.00 54.51 C ATOM 99 O ILE A 6 -6.718 6.704 -1.159 1.00 4.33 O ATOM 100 CB ILE A 6 -9.454 7.936 -0.008 1.00 35.05 C ATOM 101 CG1 ILE A 6 -10.796 7.963 0.773 1.00 12.52 C ATOM 102 CG2 ILE A 6 -9.711 7.931 -1.513 1.00 72.05 C ATOM 103 CD1 ILE A 6 -11.691 6.751 0.587 1.00 71.13 C ATOM 0 H ILE A 6 -9.169 7.094 2.354 1.00 23.20 H new ATOM 0 HA ILE A 6 -8.924 5.840 -0.139 1.00 5.34 H new ATOM 0 HB ILE A 6 -8.913 8.841 0.268 1.00 35.05 H new ATOM 0 HG12 ILE A 6 -10.575 8.069 1.835 1.00 12.52 H new ATOM 0 HG13 ILE A 6 -11.352 8.851 0.473 1.00 12.52 H new ATOM 0 HG21 ILE A 6 -10.339 8.781 -1.778 1.00 72.05 H new ATOM 0 HG22 ILE A 6 -8.762 8.002 -2.044 1.00 72.05 H new ATOM 0 HG23 ILE A 6 -10.215 7.006 -1.793 1.00 72.05 H new ATOM 0 HD11 ILE A 6 -12.599 6.875 1.177 1.00 71.13 H new ATOM 0 HD12 ILE A 6 -11.953 6.650 -0.466 1.00 71.13 H new ATOM 0 HD13 ILE A 6 -11.164 5.856 0.917 1.00 71.13 H new ATOM 115 N GLU A 7 -6.343 7.616 0.859 1.00 15.04 N ATOM 116 CA GLU A 7 -4.927 7.893 0.633 1.00 55.22 C ATOM 117 C GLU A 7 -4.108 6.602 0.607 1.00 42.30 C ATOM 118 O GLU A 7 -3.158 6.502 -0.159 1.00 11.42 O ATOM 119 CB GLU A 7 -4.351 8.823 1.709 1.00 10.25 C ATOM 120 CG GLU A 7 -5.001 10.199 1.800 1.00 30.05 C ATOM 121 CD GLU A 7 -6.286 10.209 2.604 1.00 62.33 C ATOM 122 OE1 GLU A 7 -6.211 10.186 3.845 1.00 74.11 O ATOM 123 OE2 GLU A 7 -7.376 10.233 1.999 1.00 3.12 O ATOM 0 H GLU A 7 -6.682 7.917 1.773 1.00 15.04 H new ATOM 0 HA GLU A 7 -4.859 8.387 -0.336 1.00 55.22 H new ATOM 0 HB2 GLU A 7 -4.444 8.331 2.677 1.00 10.25 H new ATOM 0 HB3 GLU A 7 -3.286 8.955 1.519 1.00 10.25 H new ATOM 0 HG2 GLU A 7 -4.295 10.897 2.250 1.00 30.05 H new ATOM 0 HG3 GLU A 7 -5.209 10.561 0.793 1.00 30.05 H new ATOM 130 N GLU A 8 -4.508 5.616 1.428 1.00 3.31 N ATOM 131 CA GLU A 8 -3.818 4.320 1.505 1.00 54.24 C ATOM 132 C GLU A 8 -4.028 3.509 0.236 1.00 32.11 C ATOM 133 O GLU A 8 -3.099 2.892 -0.261 1.00 15.21 O ATOM 134 CB GLU A 8 -4.307 3.501 2.704 1.00 70.24 C ATOM 135 CG GLU A 8 -4.071 4.164 4.040 1.00 64.51 C ATOM 136 CD GLU A 8 -4.304 3.225 5.194 1.00 73.33 C ATOM 137 OE1 GLU A 8 -5.475 3.022 5.565 1.00 1.04 O ATOM 138 OE2 GLU A 8 -3.319 2.700 5.741 1.00 61.31 O ATOM 0 H GLU A 8 -5.312 5.695 2.051 1.00 3.31 H new ATOM 0 HA GLU A 8 -2.756 4.534 1.625 1.00 54.24 H new ATOM 0 HB2 GLU A 8 -5.374 3.309 2.589 1.00 70.24 H new ATOM 0 HB3 GLU A 8 -3.807 2.533 2.697 1.00 70.24 H new ATOM 0 HG2 GLU A 8 -3.049 4.540 4.081 1.00 64.51 H new ATOM 0 HG3 GLU A 8 -4.731 5.026 4.137 1.00 64.51 H new ATOM 145 N THR A 9 -5.258 3.524 -0.276 1.00 52.21 N ATOM 146 CA THR A 9 -5.598 2.846 -1.523 1.00 24.44 C ATOM 147 C THR A 9 -5.076 3.623 -2.750 1.00 31.13 C ATOM 148 O THR A 9 -4.902 3.050 -3.814 1.00 41.05 O ATOM 149 CB THR A 9 -7.107 2.574 -1.625 1.00 30.44 C ATOM 150 OG1 THR A 9 -7.613 2.207 -0.335 1.00 62.44 O ATOM 151 CG2 THR A 9 -7.394 1.437 -2.601 1.00 65.13 C ATOM 0 H THR A 9 -6.044 4.005 0.162 1.00 52.21 H new ATOM 0 HA THR A 9 -5.096 1.879 -1.514 1.00 24.44 H new ATOM 0 HB THR A 9 -7.592 3.481 -1.985 1.00 30.44 H new ATOM 0 HG1 THR A 9 -8.032 1.323 -0.388 1.00 62.44 H new ATOM 0 HG21 THR A 9 -8.469 1.266 -2.654 1.00 65.13 H new ATOM 0 HG22 THR A 9 -7.020 1.703 -3.590 1.00 65.13 H new ATOM 0 HG23 THR A 9 -6.898 0.529 -2.258 1.00 65.13 H new ATOM 159 N ASN A 10 -4.884 4.941 -2.608 1.00 70.22 N ATOM 160 CA ASN A 10 -4.183 5.747 -3.621 1.00 5.03 C ATOM 161 C ASN A 10 -2.695 5.362 -3.694 1.00 43.15 C ATOM 162 O ASN A 10 -2.120 5.325 -4.771 1.00 52.40 O ATOM 163 CB ASN A 10 -4.322 7.242 -3.312 1.00 13.42 C ATOM 164 CG ASN A 10 -3.743 8.145 -4.392 1.00 34.34 C ATOM 165 OD1 ASN A 10 -3.749 7.811 -5.574 1.00 54.25 O ATOM 166 ND2 ASN A 10 -3.251 9.307 -3.990 1.00 73.02 N ATOM 0 H ASN A 10 -5.205 5.475 -1.800 1.00 70.22 H new ATOM 0 HA ASN A 10 -4.643 5.543 -4.588 1.00 5.03 H new ATOM 0 HB2 ASN A 10 -5.377 7.480 -3.179 1.00 13.42 H new ATOM 0 HB3 ASN A 10 -3.825 7.457 -2.366 1.00 13.42 H new ATOM 0 HD21 ASN A 10 -2.860 9.958 -4.671 1.00 73.02 H new ATOM 0 HD22 ASN A 10 -3.263 9.551 -3.000 1.00 73.02 H new ATOM 173 N LEU A 11 -2.102 5.052 -2.537 1.00 3.12 N ATOM 174 CA LEU A 11 -0.729 4.534 -2.453 1.00 30.12 C ATOM 175 C LEU A 11 -0.642 3.160 -3.131 1.00 43.20 C ATOM 176 O LEU A 11 0.343 2.843 -3.800 1.00 31.33 O ATOM 177 CB LEU A 11 -0.311 4.445 -0.976 1.00 64.30 C ATOM 178 CG LEU A 11 1.055 3.820 -0.676 1.00 53.11 C ATOM 179 CD1 LEU A 11 2.189 4.706 -1.155 1.00 45.52 C ATOM 180 CD2 LEU A 11 1.185 3.559 0.805 1.00 43.32 C ATOM 0 H LEU A 11 -2.559 5.152 -1.631 1.00 3.12 H new ATOM 0 HA LEU A 11 -0.048 5.209 -2.972 1.00 30.12 H new ATOM 0 HB2 LEU A 11 -0.321 5.452 -0.560 1.00 64.30 H new ATOM 0 HB3 LEU A 11 -1.070 3.872 -0.443 1.00 64.30 H new ATOM 0 HG LEU A 11 1.122 2.876 -1.217 1.00 53.11 H new ATOM 0 HD11 LEU A 11 3.143 4.232 -0.926 1.00 45.52 H new ATOM 0 HD12 LEU A 11 2.106 4.853 -2.232 1.00 45.52 H new ATOM 0 HD13 LEU A 11 2.134 5.671 -0.652 1.00 45.52 H new ATOM 0 HD21 LEU A 11 2.158 3.115 1.012 1.00 43.32 H new ATOM 0 HD22 LEU A 11 1.092 4.499 1.350 1.00 43.32 H new ATOM 0 HD23 LEU A 11 0.399 2.875 1.124 1.00 43.32 H new ATOM 192 N LEU A 12 -1.712 2.379 -2.974 1.00 60.24 N ATOM 193 CA LEU A 12 -1.870 1.100 -3.650 1.00 11.25 C ATOM 194 C LEU A 12 -2.027 1.291 -5.160 1.00 63.44 C ATOM 195 O LEU A 12 -1.458 0.546 -5.927 1.00 33.12 O ATOM 196 CB LEU A 12 -3.083 0.339 -3.092 1.00 72.12 C ATOM 197 CG LEU A 12 -3.058 0.039 -1.588 1.00 32.45 C ATOM 198 CD1 LEU A 12 -4.363 -0.606 -1.158 1.00 34.44 C ATOM 199 CD2 LEU A 12 -1.889 -0.856 -1.223 1.00 73.42 C ATOM 0 H LEU A 12 -2.496 2.622 -2.369 1.00 60.24 H new ATOM 0 HA LEU A 12 -0.969 0.515 -3.467 1.00 11.25 H new ATOM 0 HB2 LEU A 12 -3.981 0.916 -3.312 1.00 72.12 H new ATOM 0 HB3 LEU A 12 -3.172 -0.605 -3.629 1.00 72.12 H new ATOM 0 HG LEU A 12 -2.936 0.985 -1.061 1.00 32.45 H new ATOM 0 HD11 LEU A 12 -4.331 -0.813 -0.088 1.00 34.44 H new ATOM 0 HD12 LEU A 12 -5.191 0.070 -1.372 1.00 34.44 H new ATOM 0 HD13 LEU A 12 -4.505 -1.538 -1.704 1.00 34.44 H new ATOM 0 HD21 LEU A 12 -1.900 -1.050 -0.150 1.00 73.42 H new ATOM 0 HD22 LEU A 12 -1.971 -1.799 -1.763 1.00 73.42 H new ATOM 0 HD23 LEU A 12 -0.955 -0.363 -1.493 1.00 73.42 H new ATOM 211 N SER A 13 -2.775 2.327 -5.559 1.00 33.22 N ATOM 212 CA SER A 13 -3.060 2.640 -6.966 1.00 11.42 C ATOM 213 C SER A 13 -1.828 3.135 -7.728 1.00 75.45 C ATOM 214 O SER A 13 -1.753 2.992 -8.945 1.00 75.52 O ATOM 215 CB SER A 13 -4.178 3.693 -7.043 1.00 3.13 C ATOM 216 OG SER A 13 -4.601 3.920 -8.379 1.00 71.24 O ATOM 0 H SER A 13 -3.206 2.981 -4.905 1.00 33.22 H new ATOM 0 HA SER A 13 -3.377 1.713 -7.444 1.00 11.42 H new ATOM 0 HB2 SER A 13 -5.028 3.365 -6.444 1.00 3.13 H new ATOM 0 HB3 SER A 13 -3.825 4.629 -6.610 1.00 3.13 H new ATOM 0 HG SER A 13 -5.313 4.594 -8.387 1.00 71.24 H new ATOM 222 N ILE A 14 -0.875 3.720 -7.013 1.00 5.34 N ATOM 223 CA ILE A 14 0.356 4.222 -7.617 1.00 41.42 C ATOM 224 C ILE A 14 1.345 3.069 -7.871 1.00 2.12 C ATOM 225 O ILE A 14 2.032 3.049 -8.899 1.00 52.43 O ATOM 226 CB ILE A 14 0.973 5.352 -6.721 1.00 4.20 C ATOM 227 CG1 ILE A 14 0.044 6.582 -6.742 1.00 44.34 C ATOM 228 CG2 ILE A 14 2.388 5.749 -7.147 1.00 31.34 C ATOM 229 CD1 ILE A 14 0.483 7.734 -5.857 1.00 12.44 C ATOM 0 H ILE A 14 -0.931 3.860 -6.004 1.00 5.34 H new ATOM 0 HA ILE A 14 0.128 4.662 -8.588 1.00 41.42 H new ATOM 0 HB ILE A 14 1.057 4.957 -5.709 1.00 4.20 H new ATOM 0 HG12 ILE A 14 -0.034 6.942 -7.768 1.00 44.34 H new ATOM 0 HG13 ILE A 14 -0.955 6.269 -6.437 1.00 44.34 H new ATOM 0 HG21 ILE A 14 2.759 6.534 -6.489 1.00 31.34 H new ATOM 0 HG22 ILE A 14 3.044 4.881 -7.083 1.00 31.34 H new ATOM 0 HG23 ILE A 14 2.370 6.115 -8.174 1.00 31.34 H new ATOM 0 HD11 ILE A 14 -0.234 8.551 -5.940 1.00 12.44 H new ATOM 0 HD12 ILE A 14 0.532 7.399 -4.821 1.00 12.44 H new ATOM 0 HD13 ILE A 14 1.467 8.081 -6.173 1.00 12.44 H new ATOM 241 N TYR A 15 1.359 2.080 -6.975 1.00 21.44 N ATOM 242 CA TYR A 15 2.353 1.003 -7.038 1.00 53.32 C ATOM 243 C TYR A 15 1.730 -0.368 -7.321 1.00 13.10 C ATOM 244 O TYR A 15 2.329 -1.403 -7.006 1.00 23.22 O ATOM 245 CB TYR A 15 3.157 0.969 -5.734 1.00 5.01 C ATOM 246 CG TYR A 15 3.914 2.247 -5.471 1.00 61.13 C ATOM 247 CD1 TYR A 15 5.010 2.589 -6.244 1.00 34.30 C ATOM 248 CD2 TYR A 15 3.515 3.124 -4.476 1.00 22.11 C ATOM 249 CE1 TYR A 15 5.689 3.762 -6.027 1.00 43.35 C ATOM 250 CE2 TYR A 15 4.188 4.304 -4.257 1.00 74.23 C ATOM 251 CZ TYR A 15 5.276 4.620 -5.037 1.00 4.31 C ATOM 252 OH TYR A 15 5.952 5.799 -4.827 1.00 43.12 O ATOM 0 H TYR A 15 0.699 2.001 -6.202 1.00 21.44 H new ATOM 0 HA TYR A 15 3.015 1.219 -7.877 1.00 53.32 H new ATOM 0 HB2 TYR A 15 2.480 0.777 -4.902 1.00 5.01 H new ATOM 0 HB3 TYR A 15 3.861 0.138 -5.770 1.00 5.01 H new ATOM 0 HD1 TYR A 15 5.336 1.923 -7.029 1.00 34.30 H new ATOM 0 HD2 TYR A 15 2.661 2.878 -3.862 1.00 22.11 H new ATOM 0 HE1 TYR A 15 6.547 4.010 -6.634 1.00 43.35 H new ATOM 0 HE2 TYR A 15 3.864 4.978 -3.478 1.00 74.23 H new ATOM 0 HH TYR A 15 5.313 6.542 -4.798 1.00 43.12 H new ATOM 262 N ASN A 16 0.553 -0.382 -7.955 1.00 54.23 N ATOM 263 CA ASN A 16 -0.138 -1.637 -8.275 1.00 30.31 C ATOM 264 C ASN A 16 0.379 -2.198 -9.592 1.00 10.43 C ATOM 265 O ASN A 16 -0.113 -1.858 -10.674 1.00 23.14 O ATOM 266 CB ASN A 16 -1.662 -1.437 -8.330 1.00 3.31 C ATOM 267 CG ASN A 16 -2.446 -2.739 -8.408 1.00 11.30 C ATOM 268 OD1 ASN A 16 -2.004 -3.790 -7.936 1.00 43.13 O ATOM 269 ND2 ASN A 16 -3.634 -2.672 -8.984 1.00 51.30 N ATOM 0 H ASN A 16 0.059 0.458 -8.256 1.00 54.23 H new ATOM 0 HA ASN A 16 0.072 -2.354 -7.481 1.00 30.31 H new ATOM 0 HB2 ASN A 16 -1.979 -0.884 -7.446 1.00 3.31 H new ATOM 0 HB3 ASN A 16 -1.908 -0.822 -9.196 1.00 3.31 H new ATOM 0 HD21 ASN A 16 -4.217 -3.506 -9.049 1.00 51.30 H new ATOM 0 HD22 ASN A 16 -3.968 -1.786 -9.363 1.00 51.30 H new ATOM 276 N GLU A 17 1.403 -3.025 -9.481 1.00 50.15 N ATOM 277 CA GLU A 17 2.061 -3.579 -10.646 1.00 31.14 C ATOM 278 C GLU A 17 1.873 -5.099 -10.721 1.00 45.13 C ATOM 279 O GLU A 17 1.904 -5.675 -11.809 1.00 53.32 O ATOM 280 CB GLU A 17 3.545 -3.187 -10.623 1.00 72.52 C ATOM 281 CG GLU A 17 4.259 -3.404 -11.944 1.00 53.31 C ATOM 282 CD GLU A 17 5.686 -2.903 -11.931 1.00 34.44 C ATOM 283 OE1 GLU A 17 5.912 -1.720 -12.248 1.00 73.10 O ATOM 284 OE2 GLU A 17 6.591 -3.699 -11.615 1.00 10.35 O ATOM 0 H GLU A 17 1.797 -3.328 -8.590 1.00 50.15 H new ATOM 0 HA GLU A 17 1.606 -3.166 -11.546 1.00 31.14 H new ATOM 0 HB2 GLU A 17 3.629 -2.137 -10.344 1.00 72.52 H new ATOM 0 HB3 GLU A 17 4.051 -3.764 -9.849 1.00 72.52 H new ATOM 0 HG2 GLU A 17 4.255 -4.467 -12.183 1.00 53.31 H new ATOM 0 HG3 GLU A 17 3.708 -2.897 -12.736 1.00 53.31 H new ATOM 291 N GLY A 18 1.646 -5.743 -9.575 1.00 12.21 N ATOM 292 CA GLY A 18 1.434 -7.179 -9.579 1.00 14.20 C ATOM 293 C GLY A 18 0.954 -7.720 -8.254 1.00 1.40 C ATOM 294 O GLY A 18 1.669 -8.491 -7.604 1.00 32.20 O ATOM 0 H GLY A 18 1.606 -5.301 -8.657 1.00 12.21 H new ATOM 0 HA2 GLY A 18 0.705 -7.429 -10.350 1.00 14.20 H new ATOM 0 HA3 GLY A 18 2.366 -7.675 -9.849 1.00 14.20 H new ATOM 298 N GLY A 19 -0.251 -7.310 -7.849 1.00 43.22 N ATOM 299 CA GLY A 19 -0.826 -7.772 -6.592 1.00 65.41 C ATOM 300 C GLY A 19 -0.179 -7.101 -5.405 1.00 53.31 C ATOM 301 O GLY A 19 0.401 -6.030 -5.548 1.00 65.53 O ATOM 0 H GLY A 19 -0.841 -6.663 -8.373 1.00 43.22 H new ATOM 0 HA2 GLY A 19 -1.897 -7.570 -6.585 1.00 65.41 H new ATOM 0 HA3 GLY A 19 -0.704 -8.852 -6.511 1.00 65.41 H new ATOM 305 N LYS A 20 -0.224 -7.748 -4.239 1.00 43.13 N ATOM 306 CA LYS A 20 0.369 -7.169 -3.031 1.00 62.01 C ATOM 307 C LYS A 20 1.873 -7.464 -2.982 1.00 75.11 C ATOM 308 O LYS A 20 2.599 -6.897 -2.167 1.00 11.33 O ATOM 309 CB LYS A 20 -0.364 -7.642 -1.756 1.00 23.12 C ATOM 310 CG LYS A 20 -0.036 -9.039 -1.231 1.00 11.50 C ATOM 311 CD LYS A 20 0.820 -8.959 0.029 1.00 42.13 C ATOM 312 CE LYS A 20 0.921 -10.289 0.755 1.00 51.14 C ATOM 313 NZ LYS A 20 1.634 -11.330 -0.020 1.00 15.12 N ATOM 0 H LYS A 20 -0.659 -8.661 -4.105 1.00 43.13 H new ATOM 0 HA LYS A 20 0.246 -6.087 -3.071 1.00 62.01 H new ATOM 0 HB2 LYS A 20 -0.153 -6.926 -0.962 1.00 23.12 H new ATOM 0 HB3 LYS A 20 -1.436 -7.598 -1.948 1.00 23.12 H new ATOM 0 HG2 LYS A 20 -0.959 -9.577 -1.015 1.00 11.50 H new ATOM 0 HG3 LYS A 20 0.491 -9.606 -1.998 1.00 11.50 H new ATOM 0 HD2 LYS A 20 1.821 -8.618 -0.238 1.00 42.13 H new ATOM 0 HD3 LYS A 20 0.398 -8.213 0.703 1.00 42.13 H new ATOM 0 HE2 LYS A 20 1.435 -10.138 1.704 1.00 51.14 H new ATOM 0 HE3 LYS A 20 -0.083 -10.644 0.988 1.00 51.14 H new ATOM 0 HZ1 LYS A 20 1.439 -12.265 0.392 1.00 15.12 H new ATOM 0 HZ2 LYS A 20 1.308 -11.312 -1.007 1.00 15.12 H new ATOM 0 HZ3 LYS A 20 2.657 -11.145 0.010 1.00 15.12 H new ATOM 327 N ARG A 21 2.316 -8.361 -3.862 1.00 3.04 N ATOM 328 CA ARG A 21 3.724 -8.613 -4.097 1.00 74.31 C ATOM 329 C ARG A 21 4.343 -7.400 -4.765 1.00 5.02 C ATOM 330 O ARG A 21 5.322 -6.858 -4.263 1.00 22.12 O ATOM 331 CB ARG A 21 3.881 -9.855 -4.976 1.00 61.53 C ATOM 332 CG ARG A 21 5.080 -10.712 -4.621 1.00 43.02 C ATOM 333 CD ARG A 21 5.079 -12.035 -5.374 1.00 63.22 C ATOM 334 NE ARG A 21 5.079 -11.864 -6.830 1.00 15.53 N ATOM 335 CZ ARG A 21 6.066 -12.263 -7.639 1.00 55.34 C ATOM 336 NH1 ARG A 21 7.208 -12.726 -7.143 1.00 63.23 N ATOM 337 NH2 ARG A 21 5.923 -12.170 -8.950 1.00 4.12 N ATOM 0 H ARG A 21 1.696 -8.935 -4.434 1.00 3.04 H new ATOM 0 HA ARG A 21 4.235 -8.792 -3.151 1.00 74.31 H new ATOM 0 HB2 ARG A 21 2.978 -10.460 -4.897 1.00 61.53 H new ATOM 0 HB3 ARG A 21 3.965 -9.543 -6.017 1.00 61.53 H new ATOM 0 HG2 ARG A 21 5.996 -10.166 -4.848 1.00 43.02 H new ATOM 0 HG3 ARG A 21 5.082 -10.905 -3.548 1.00 43.02 H new ATOM 0 HD2 ARG A 21 5.955 -12.614 -5.081 1.00 63.22 H new ATOM 0 HD3 ARG A 21 4.202 -12.613 -5.081 1.00 63.22 H new ATOM 0 HE ARG A 21 4.271 -11.410 -7.255 1.00 15.53 H new ATOM 0 HH11 ARG A 21 7.340 -12.781 -6.133 1.00 63.23 H new ATOM 0 HH12 ARG A 21 7.952 -13.027 -7.772 1.00 63.23 H new ATOM 0 HH21 ARG A 21 5.060 -11.794 -9.344 1.00 4.12 H new ATOM 0 HH22 ARG A 21 6.675 -12.474 -9.568 1.00 4.12 H new ATOM 351 N GLY A 22 3.727 -6.972 -5.878 1.00 44.35 N ATOM 352 CA GLY A 22 4.113 -5.752 -6.565 1.00 21.25 C ATOM 353 C GLY A 22 3.992 -4.506 -5.700 1.00 41.34 C ATOM 354 O GLY A 22 4.786 -3.592 -5.841 1.00 60.13 O ATOM 0 H GLY A 22 2.951 -7.467 -6.317 1.00 44.35 H new ATOM 0 HA2 GLY A 22 5.143 -5.848 -6.909 1.00 21.25 H new ATOM 0 HA3 GLY A 22 3.491 -5.631 -7.452 1.00 21.25 H new ATOM 358 N LEU A 23 3.012 -4.487 -4.795 1.00 53.04 N ATOM 359 CA LEU A 23 2.837 -3.375 -3.860 1.00 61.42 C ATOM 360 C LEU A 23 3.967 -3.296 -2.842 1.00 22.20 C ATOM 361 O LEU A 23 4.543 -2.240 -2.675 1.00 11.44 O ATOM 362 CB LEU A 23 1.492 -3.466 -3.133 1.00 43.50 C ATOM 363 CG LEU A 23 0.385 -2.545 -3.658 1.00 33.34 C ATOM 364 CD1 LEU A 23 0.857 -1.107 -3.690 1.00 3.14 C ATOM 365 CD2 LEU A 23 -0.075 -2.960 -5.034 1.00 60.41 C ATOM 0 H LEU A 23 2.324 -5.233 -4.690 1.00 53.04 H new ATOM 0 HA LEU A 23 2.857 -2.464 -4.458 1.00 61.42 H new ATOM 0 HB2 LEU A 23 1.139 -4.496 -3.190 1.00 43.50 H new ATOM 0 HB3 LEU A 23 1.655 -3.242 -2.079 1.00 43.50 H new ATOM 0 HG LEU A 23 -0.459 -2.631 -2.974 1.00 33.34 H new ATOM 0 HD11 LEU A 23 0.057 -0.470 -4.066 1.00 3.14 H new ATOM 0 HD12 LEU A 23 1.130 -0.791 -2.683 1.00 3.14 H new ATOM 0 HD13 LEU A 23 1.725 -1.023 -4.344 1.00 3.14 H new ATOM 0 HD21 LEU A 23 -0.860 -2.285 -5.374 1.00 60.41 H new ATOM 0 HD22 LEU A 23 0.765 -2.918 -5.727 1.00 60.41 H new ATOM 0 HD23 LEU A 23 -0.463 -3.978 -4.996 1.00 60.41 H new ATOM 377 N MET A 24 4.299 -4.410 -2.189 1.00 42.24 N ATOM 378 CA MET A 24 5.328 -4.418 -1.137 1.00 1.11 C ATOM 379 C MET A 24 6.726 -4.125 -1.683 1.00 65.22 C ATOM 380 O MET A 24 7.527 -3.480 -1.008 1.00 71.52 O ATOM 381 CB MET A 24 5.321 -5.743 -0.373 1.00 52.31 C ATOM 382 CG MET A 24 4.196 -5.832 0.640 1.00 31.12 C ATOM 383 SD MET A 24 4.141 -7.403 1.519 1.00 32.54 S ATOM 384 CE MET A 24 2.884 -7.034 2.741 1.00 41.24 C ATOM 0 H MET A 24 3.874 -5.320 -2.366 1.00 42.24 H new ATOM 0 HA MET A 24 5.075 -3.612 -0.448 1.00 1.11 H new ATOM 0 HB2 MET A 24 5.231 -6.566 -1.082 1.00 52.31 H new ATOM 0 HB3 MET A 24 6.275 -5.867 0.139 1.00 52.31 H new ATOM 0 HG2 MET A 24 4.305 -5.024 1.363 1.00 31.12 H new ATOM 0 HG3 MET A 24 3.245 -5.677 0.130 1.00 31.12 H new ATOM 0 HE1 MET A 24 3.260 -7.278 3.735 1.00 41.24 H new ATOM 0 HE2 MET A 24 2.635 -5.974 2.698 1.00 41.24 H new ATOM 0 HE3 MET A 24 1.992 -7.625 2.535 1.00 41.24 H new ATOM 394 N GLU A 25 7.004 -4.578 -2.906 1.00 24.32 N ATOM 395 CA GLU A 25 8.274 -4.288 -3.580 1.00 75.41 C ATOM 396 C GLU A 25 8.373 -2.811 -3.985 1.00 4.22 C ATOM 397 O GLU A 25 9.344 -2.138 -3.647 1.00 31.14 O ATOM 398 CB GLU A 25 8.433 -5.169 -4.825 1.00 30.03 C ATOM 399 CG GLU A 25 8.507 -6.656 -4.522 1.00 65.34 C ATOM 400 CD GLU A 25 8.384 -7.515 -5.765 1.00 10.13 C ATOM 401 OE1 GLU A 25 7.504 -7.232 -6.603 1.00 64.12 O ATOM 402 OE2 GLU A 25 9.162 -8.477 -5.911 1.00 14.54 O ATOM 0 H GLU A 25 6.363 -5.151 -3.455 1.00 24.32 H new ATOM 0 HA GLU A 25 9.074 -4.506 -2.873 1.00 75.41 H new ATOM 0 HB2 GLU A 25 7.594 -4.986 -5.497 1.00 30.03 H new ATOM 0 HB3 GLU A 25 9.337 -4.871 -5.356 1.00 30.03 H new ATOM 0 HG2 GLU A 25 9.453 -6.875 -4.027 1.00 65.34 H new ATOM 0 HG3 GLU A 25 7.713 -6.920 -3.823 1.00 65.34 H new ATOM 409 N ASN A 26 7.341 -2.309 -4.674 1.00 15.54 N ATOM 410 CA ASN A 26 7.379 -0.977 -5.299 1.00 34.41 C ATOM 411 C ASN A 26 7.199 0.158 -4.295 1.00 72.41 C ATOM 412 O ASN A 26 7.718 1.245 -4.516 1.00 62.53 O ATOM 413 CB ASN A 26 6.328 -0.877 -6.413 1.00 71.04 C ATOM 414 CG ASN A 26 6.726 -1.613 -7.683 1.00 34.21 C ATOM 415 OD1 ASN A 26 7.578 -2.498 -7.672 1.00 62.41 O ATOM 416 ND2 ASN A 26 6.091 -1.271 -8.784 1.00 61.11 N ATOM 0 H ASN A 26 6.462 -2.808 -4.815 1.00 15.54 H new ATOM 0 HA ASN A 26 8.375 -0.862 -5.728 1.00 34.41 H new ATOM 0 HB2 ASN A 26 5.383 -1.280 -6.049 1.00 71.04 H new ATOM 0 HB3 ASN A 26 6.157 0.173 -6.648 1.00 71.04 H new ATOM 0 HD21 ASN A 26 6.301 -1.745 -9.662 1.00 61.11 H new ATOM 0 HD22 ASN A 26 5.389 -0.532 -8.759 1.00 61.11 H new ATOM 423 N ILE A 27 6.473 -0.086 -3.199 1.00 14.12 N ATOM 424 CA ILE A 27 6.338 0.911 -2.132 1.00 41.35 C ATOM 425 C ILE A 27 7.678 1.097 -1.397 1.00 63.42 C ATOM 426 O ILE A 27 8.148 2.222 -1.275 1.00 24.30 O ATOM 427 CB ILE A 27 5.199 0.552 -1.121 1.00 55.14 C ATOM 428 CG1 ILE A 27 3.819 0.718 -1.781 1.00 24.05 C ATOM 429 CG2 ILE A 27 5.274 1.404 0.140 1.00 75.15 C ATOM 430 CD1 ILE A 27 2.644 0.337 -0.892 1.00 41.23 C ATOM 0 H ILE A 27 5.973 -0.959 -3.028 1.00 14.12 H new ATOM 0 HA ILE A 27 6.058 1.852 -2.605 1.00 41.35 H new ATOM 0 HB ILE A 27 5.338 -0.490 -0.833 1.00 55.14 H new ATOM 0 HG12 ILE A 27 3.701 1.756 -2.092 1.00 24.05 H new ATOM 0 HG13 ILE A 27 3.787 0.109 -2.685 1.00 24.05 H new ATOM 0 HG21 ILE A 27 4.466 1.124 0.817 1.00 75.15 H new ATOM 0 HG22 ILE A 27 6.233 1.241 0.632 1.00 75.15 H new ATOM 0 HG23 ILE A 27 5.177 2.457 -0.126 1.00 75.15 H new ATOM 0 HD11 ILE A 27 1.712 0.485 -1.438 1.00 41.23 H new ATOM 0 HD12 ILE A 27 2.732 -0.710 -0.601 1.00 41.23 H new ATOM 0 HD13 ILE A 27 2.645 0.963 0.001 1.00 41.23 H new ATOM 442 N ASN A 28 8.304 -0.014 -0.965 1.00 21.42 N ATOM 443 CA ASN A 28 9.551 0.042 -0.176 1.00 14.22 C ATOM 444 C ASN A 28 10.746 0.566 -0.977 1.00 43.44 C ATOM 445 O ASN A 28 11.609 1.249 -0.423 1.00 61.42 O ATOM 446 CB ASN A 28 9.901 -1.324 0.422 1.00 24.03 C ATOM 447 CG ASN A 28 9.201 -1.589 1.742 1.00 51.13 C ATOM 448 OD1 ASN A 28 9.672 -1.169 2.797 1.00 11.14 O ATOM 449 ND2 ASN A 28 8.096 -2.314 1.697 1.00 41.12 N ATOM 0 H ASN A 28 7.968 -0.960 -1.148 1.00 21.42 H new ATOM 0 HA ASN A 28 9.353 0.750 0.628 1.00 14.22 H new ATOM 0 HB2 ASN A 28 9.633 -2.105 -0.289 1.00 24.03 H new ATOM 0 HB3 ASN A 28 10.979 -1.384 0.570 1.00 24.03 H new ATOM 0 HD21 ASN A 28 7.601 -2.544 2.559 1.00 41.12 H new ATOM 0 HD22 ASN A 28 7.738 -2.643 0.800 1.00 41.12 H new ATOM 456 N ALA A 29 10.776 0.264 -2.277 1.00 73.40 N ATOM 457 CA ALA A 29 11.850 0.730 -3.156 1.00 65.24 C ATOM 458 C ALA A 29 11.701 2.215 -3.490 1.00 4.43 C ATOM 459 O ALA A 29 12.692 2.937 -3.608 1.00 13.01 O ATOM 460 CB ALA A 29 11.880 -0.100 -4.432 1.00 44.13 C ATOM 0 H ALA A 29 10.068 -0.302 -2.744 1.00 73.40 H new ATOM 0 HA ALA A 29 12.794 0.605 -2.625 1.00 65.24 H new ATOM 0 HB1 ALA A 29 12.683 0.255 -5.078 1.00 44.13 H new ATOM 0 HB2 ALA A 29 12.052 -1.147 -4.181 1.00 44.13 H new ATOM 0 HB3 ALA A 29 10.926 -0.004 -4.951 1.00 44.13 H new ATOM 466 N ALA A 30 10.461 2.677 -3.589 1.00 3.10 N ATOM 467 CA ALA A 30 10.180 4.052 -3.967 1.00 71.41 C ATOM 468 C ALA A 30 9.784 4.919 -2.772 1.00 20.21 C ATOM 469 O ALA A 30 9.178 5.969 -2.956 1.00 43.41 O ATOM 470 CB ALA A 30 9.120 4.097 -5.055 1.00 61.13 C ATOM 0 H ALA A 30 9.630 2.113 -3.411 1.00 3.10 H new ATOM 0 HA ALA A 30 11.104 4.475 -4.362 1.00 71.41 H new ATOM 0 HB1 ALA A 30 8.921 5.134 -5.327 1.00 61.13 H new ATOM 0 HB2 ALA A 30 9.475 3.554 -5.931 1.00 61.13 H new ATOM 0 HB3 ALA A 30 8.203 3.636 -4.689 1.00 61.13 H new ATOM 476 N LEU A 31 10.124 4.472 -1.548 1.00 2.40 N ATOM 477 CA LEU A 31 9.958 5.294 -0.335 1.00 42.04 C ATOM 478 C LEU A 31 10.698 6.652 -0.433 1.00 15.02 C ATOM 479 O LEU A 31 10.073 7.676 -0.166 1.00 72.21 O ATOM 480 CB LEU A 31 10.385 4.538 0.942 1.00 34.42 C ATOM 481 CG LEU A 31 9.441 3.437 1.440 1.00 33.23 C ATOM 482 CD1 LEU A 31 10.041 2.735 2.646 1.00 34.43 C ATOM 483 CD2 LEU A 31 8.079 4.013 1.800 1.00 74.11 C ATOM 0 H LEU A 31 10.515 3.546 -1.373 1.00 2.40 H new ATOM 0 HA LEU A 31 8.891 5.504 -0.263 1.00 42.04 H new ATOM 0 HB2 LEU A 31 11.363 4.092 0.762 1.00 34.42 H new ATOM 0 HB3 LEU A 31 10.510 5.267 1.743 1.00 34.42 H new ATOM 0 HG LEU A 31 9.309 2.714 0.635 1.00 33.23 H new ATOM 0 HD11 LEU A 31 9.360 1.956 2.989 1.00 34.43 H new ATOM 0 HD12 LEU A 31 10.995 2.287 2.369 1.00 34.43 H new ATOM 0 HD13 LEU A 31 10.198 3.458 3.447 1.00 34.43 H new ATOM 0 HD21 LEU A 31 7.427 3.213 2.151 1.00 74.11 H new ATOM 0 HD22 LEU A 31 8.195 4.758 2.587 1.00 74.11 H new ATOM 0 HD23 LEU A 31 7.638 4.481 0.920 1.00 74.11 H new ATOM 495 N PRO A 32 12.024 6.724 -0.814 1.00 1.33 N ATOM 496 CA PRO A 32 12.701 8.021 -1.026 1.00 43.01 C ATOM 497 C PRO A 32 12.149 8.826 -2.216 1.00 23.01 C ATOM 498 O PRO A 32 12.274 10.047 -2.247 1.00 24.34 O ATOM 499 CB PRO A 32 14.159 7.632 -1.298 1.00 73.33 C ATOM 500 CG PRO A 32 14.105 6.227 -1.765 1.00 32.04 C ATOM 501 CD PRO A 32 12.987 5.600 -0.999 1.00 1.24 C ATOM 0 HA PRO A 32 12.557 8.671 -0.163 1.00 43.01 H new ATOM 0 HB2 PRO A 32 14.606 8.281 -2.052 1.00 73.33 H new ATOM 0 HB3 PRO A 32 14.766 7.725 -0.397 1.00 73.33 H new ATOM 0 HG2 PRO A 32 13.923 6.176 -2.839 1.00 32.04 H new ATOM 0 HG3 PRO A 32 15.048 5.713 -1.576 1.00 32.04 H new ATOM 0 HD2 PRO A 32 12.538 4.772 -1.548 1.00 1.24 H new ATOM 0 HD3 PRO A 32 13.328 5.201 -0.044 1.00 1.24 H new ATOM 509 N PHE A 33 11.525 8.136 -3.178 1.00 35.43 N ATOM 510 CA PHE A 33 10.996 8.765 -4.389 1.00 2.34 C ATOM 511 C PHE A 33 9.672 9.484 -4.119 1.00 14.33 C ATOM 512 O PHE A 33 9.416 10.549 -4.686 1.00 50.24 O ATOM 513 CB PHE A 33 10.805 7.722 -5.499 1.00 31.32 C ATOM 514 CG PHE A 33 12.085 7.136 -6.039 1.00 32.43 C ATOM 515 CD1 PHE A 33 12.757 7.752 -7.083 1.00 44.00 C ATOM 516 CD2 PHE A 33 12.611 5.963 -5.514 1.00 10.34 C ATOM 517 CE1 PHE A 33 13.921 7.209 -7.594 1.00 60.50 C ATOM 518 CE2 PHE A 33 13.772 5.415 -6.024 1.00 13.44 C ATOM 519 CZ PHE A 33 14.430 6.042 -7.061 1.00 14.23 C ATOM 0 H PHE A 33 11.374 7.128 -3.137 1.00 35.43 H new ATOM 0 HA PHE A 33 11.725 9.507 -4.715 1.00 2.34 H new ATOM 0 HB2 PHE A 33 10.184 6.912 -5.115 1.00 31.32 H new ATOM 0 HB3 PHE A 33 10.257 8.182 -6.321 1.00 31.32 H new ATOM 0 HD1 PHE A 33 12.366 8.667 -7.502 1.00 44.00 H new ATOM 0 HD2 PHE A 33 12.105 5.472 -4.696 1.00 10.34 H new ATOM 0 HE1 PHE A 33 14.432 7.698 -8.410 1.00 60.50 H new ATOM 0 HE2 PHE A 33 14.164 4.497 -5.611 1.00 13.44 H new ATOM 0 HZ PHE A 33 15.343 5.620 -7.456 1.00 14.23 H new ATOM 529 N MET A 34 8.844 8.904 -3.245 1.00 13.42 N ATOM 530 CA MET A 34 7.545 9.485 -2.897 1.00 34.20 C ATOM 531 C MET A 34 7.705 10.578 -1.828 1.00 33.42 C ATOM 532 O MET A 34 8.779 10.728 -1.234 1.00 33.10 O ATOM 533 CB MET A 34 6.563 8.389 -2.409 1.00 61.15 C ATOM 534 CG MET A 34 6.894 7.797 -1.037 1.00 21.34 C ATOM 535 SD MET A 34 5.710 6.559 -0.475 1.00 62.33 S ATOM 536 CE MET A 34 6.207 5.122 -1.411 1.00 33.13 C ATOM 0 H MET A 34 9.052 8.029 -2.764 1.00 13.42 H new ATOM 0 HA MET A 34 7.129 9.941 -3.795 1.00 34.20 H new ATOM 0 HB2 MET A 34 5.558 8.810 -2.375 1.00 61.15 H new ATOM 0 HB3 MET A 34 6.546 7.583 -3.143 1.00 61.15 H new ATOM 0 HG2 MET A 34 7.886 7.347 -1.075 1.00 21.34 H new ATOM 0 HG3 MET A 34 6.938 8.603 -0.305 1.00 21.34 H new ATOM 0 HE1 MET A 34 5.330 4.518 -1.644 1.00 33.13 H new ATOM 0 HE2 MET A 34 6.685 5.439 -2.338 1.00 33.13 H new ATOM 0 HE3 MET A 34 6.909 4.530 -0.824 1.00 33.13 H new ATOM 546 N ASP A 35 6.628 11.334 -1.602 1.00 34.34 N ATOM 547 CA ASP A 35 6.588 12.378 -0.566 1.00 23.00 C ATOM 548 C ASP A 35 6.532 11.721 0.824 1.00 23.12 C ATOM 549 O ASP A 35 6.051 10.605 0.940 1.00 63.32 O ATOM 550 CB ASP A 35 5.354 13.281 -0.793 1.00 15.24 C ATOM 551 CG ASP A 35 5.327 14.515 0.094 1.00 23.42 C ATOM 552 OD1 ASP A 35 5.927 15.536 -0.281 1.00 51.21 O ATOM 553 OD2 ASP A 35 4.719 14.461 1.177 1.00 40.33 O ATOM 0 H ASP A 35 5.759 11.243 -2.129 1.00 34.34 H new ATOM 0 HA ASP A 35 7.486 12.993 -0.624 1.00 23.00 H new ATOM 0 HB2 ASP A 35 5.331 13.594 -1.837 1.00 15.24 H new ATOM 0 HB3 ASP A 35 4.451 12.697 -0.616 1.00 15.24 H new ATOM 558 N GLU A 36 7.007 12.418 1.871 1.00 61.41 N ATOM 559 CA GLU A 36 7.100 11.846 3.223 1.00 12.14 C ATOM 560 C GLU A 36 5.718 11.642 3.879 1.00 12.00 C ATOM 561 O GLU A 36 5.582 10.829 4.794 1.00 3.51 O ATOM 562 CB GLU A 36 8.005 12.722 4.089 1.00 15.04 C ATOM 563 CG GLU A 36 8.427 12.095 5.412 1.00 4.42 C ATOM 564 CD GLU A 36 9.541 12.859 6.086 1.00 52.25 C ATOM 565 OE1 GLU A 36 9.318 14.024 6.481 1.00 12.13 O ATOM 566 OE2 GLU A 36 10.646 12.298 6.222 1.00 20.35 O ATOM 0 H GLU A 36 7.333 13.382 1.805 1.00 61.41 H new ATOM 0 HA GLU A 36 7.539 10.852 3.136 1.00 12.14 H new ATOM 0 HB2 GLU A 36 8.900 12.970 3.519 1.00 15.04 H new ATOM 0 HB3 GLU A 36 7.489 13.660 4.296 1.00 15.04 H new ATOM 0 HG2 GLU A 36 7.566 12.050 6.080 1.00 4.42 H new ATOM 0 HG3 GLU A 36 8.749 11.068 5.237 1.00 4.42 H new ATOM 573 N ASP A 37 4.693 12.347 3.386 1.00 5.31 N ATOM 574 CA ASP A 37 3.306 12.123 3.822 1.00 41.53 C ATOM 575 C ASP A 37 2.830 10.727 3.397 1.00 21.11 C ATOM 576 O ASP A 37 2.246 9.989 4.188 1.00 53.00 O ATOM 577 CB ASP A 37 2.383 13.190 3.224 1.00 52.11 C ATOM 578 CG ASP A 37 0.935 13.037 3.657 1.00 72.33 C ATOM 579 OD1 ASP A 37 0.587 13.494 4.761 1.00 52.54 O ATOM 580 OD2 ASP A 37 0.142 12.474 2.884 1.00 72.14 O ATOM 0 H ASP A 37 4.796 13.079 2.683 1.00 5.31 H new ATOM 0 HA ASP A 37 3.272 12.192 4.909 1.00 41.53 H new ATOM 0 HB2 ASP A 37 2.741 14.177 3.517 1.00 52.11 H new ATOM 0 HB3 ASP A 37 2.438 13.141 2.136 1.00 52.11 H new ATOM 585 N MET A 38 3.135 10.384 2.147 1.00 44.32 N ATOM 586 CA MET A 38 2.797 9.086 1.561 1.00 62.31 C ATOM 587 C MET A 38 3.744 7.986 2.073 1.00 63.34 C ATOM 588 O MET A 38 3.402 6.805 2.093 1.00 53.11 O ATOM 589 CB MET A 38 2.857 9.207 0.035 1.00 53.45 C ATOM 590 CG MET A 38 1.850 8.330 -0.682 1.00 74.12 C ATOM 591 SD MET A 38 1.147 9.138 -2.125 1.00 61.32 S ATOM 592 CE MET A 38 -0.407 8.266 -2.216 1.00 14.34 C ATOM 0 H MET A 38 3.629 11.005 1.505 1.00 44.32 H new ATOM 0 HA MET A 38 1.789 8.800 1.861 1.00 62.31 H new ATOM 0 HB2 MET A 38 2.687 10.246 -0.246 1.00 53.45 H new ATOM 0 HB3 MET A 38 3.860 8.946 -0.303 1.00 53.45 H new ATOM 0 HG2 MET A 38 2.333 7.402 -0.987 1.00 74.12 H new ATOM 0 HG3 MET A 38 1.049 8.062 0.007 1.00 74.12 H new ATOM 0 HE1 MET A 38 -0.795 8.318 -3.233 1.00 14.34 H new ATOM 0 HE2 MET A 38 -0.256 7.223 -1.939 1.00 14.34 H new ATOM 0 HE3 MET A 38 -1.121 8.723 -1.532 1.00 14.34 H new ATOM 602 N ARG A 39 4.940 8.410 2.479 1.00 42.02 N ATOM 603 CA ARG A 39 5.995 7.535 2.990 1.00 3.33 C ATOM 604 C ARG A 39 5.654 7.001 4.386 1.00 63.13 C ATOM 605 O ARG A 39 5.831 5.820 4.649 1.00 50.35 O ATOM 606 CB ARG A 39 7.292 8.338 3.022 1.00 61.30 C ATOM 607 CG ARG A 39 8.561 7.556 3.294 1.00 3.53 C ATOM 608 CD ARG A 39 9.747 8.503 3.415 1.00 4.32 C ATOM 609 NE ARG A 39 9.899 9.361 2.231 1.00 23.12 N ATOM 610 CZ ARG A 39 10.566 10.517 2.202 1.00 72.13 C ATOM 611 NH1 ARG A 39 11.179 10.977 3.286 1.00 53.23 N ATOM 612 NH2 ARG A 39 10.615 11.221 1.080 1.00 65.22 N ATOM 0 H ARG A 39 5.209 9.394 2.461 1.00 42.02 H new ATOM 0 HA ARG A 39 6.100 6.667 2.339 1.00 3.33 H new ATOM 0 HB2 ARG A 39 7.403 8.847 2.064 1.00 61.30 H new ATOM 0 HB3 ARG A 39 7.197 9.111 3.785 1.00 61.30 H new ATOM 0 HG2 ARG A 39 8.452 6.979 4.213 1.00 3.53 H new ATOM 0 HG3 ARG A 39 8.737 6.843 2.489 1.00 3.53 H new ATOM 0 HD2 ARG A 39 9.622 9.127 4.300 1.00 4.32 H new ATOM 0 HD3 ARG A 39 10.659 7.923 3.560 1.00 4.32 H new ATOM 0 HE ARG A 39 9.461 9.049 1.364 1.00 23.12 H new ATOM 0 HH11 ARG A 39 11.144 10.445 4.156 1.00 53.23 H new ATOM 0 HH12 ARG A 39 11.685 11.862 3.249 1.00 53.23 H new ATOM 0 HH21 ARG A 39 10.144 10.879 0.242 1.00 65.22 H new ATOM 0 HH22 ARG A 39 11.124 12.105 1.054 1.00 65.22 H new ATOM 626 N GLU A 40 5.168 7.883 5.273 1.00 52.32 N ATOM 627 CA GLU A 40 4.695 7.488 6.615 1.00 53.14 C ATOM 628 C GLU A 40 3.381 6.716 6.539 1.00 22.03 C ATOM 629 O GLU A 40 3.099 5.860 7.380 1.00 54.53 O ATOM 630 CB GLU A 40 4.519 8.722 7.501 1.00 4.44 C ATOM 631 CG GLU A 40 5.823 9.388 7.895 1.00 64.45 C ATOM 632 CD GLU A 40 6.720 8.476 8.699 1.00 50.22 C ATOM 633 OE1 GLU A 40 6.410 8.230 9.880 1.00 74.10 O ATOM 634 OE2 GLU A 40 7.732 8.005 8.152 1.00 55.34 O ATOM 0 H GLU A 40 5.091 8.883 5.086 1.00 52.32 H new ATOM 0 HA GLU A 40 5.450 6.834 7.051 1.00 53.14 H new ATOM 0 HB2 GLU A 40 3.896 9.447 6.977 1.00 4.44 H new ATOM 0 HB3 GLU A 40 3.982 8.434 8.405 1.00 4.44 H new ATOM 0 HG2 GLU A 40 6.349 9.709 6.996 1.00 64.45 H new ATOM 0 HG3 GLU A 40 5.608 10.285 8.476 1.00 64.45 H new ATOM 641 N LEU A 41 2.592 7.038 5.514 1.00 64.13 N ATOM 642 CA LEU A 41 1.364 6.324 5.178 1.00 41.21 C ATOM 643 C LEU A 41 1.648 4.855 4.828 1.00 31.42 C ATOM 644 O LEU A 41 0.862 3.979 5.156 1.00 75.35 O ATOM 645 CB LEU A 41 0.723 7.036 3.986 1.00 22.54 C ATOM 646 CG LEU A 41 -0.573 6.454 3.448 1.00 61.50 C ATOM 647 CD1 LEU A 41 -1.743 6.849 4.324 1.00 32.15 C ATOM 648 CD2 LEU A 41 -0.777 6.914 2.022 1.00 14.42 C ATOM 0 H LEU A 41 2.793 7.815 4.885 1.00 64.13 H new ATOM 0 HA LEU A 41 0.693 6.325 6.037 1.00 41.21 H new ATOM 0 HB2 LEU A 41 0.536 8.071 4.271 1.00 22.54 H new ATOM 0 HB3 LEU A 41 1.449 7.055 3.173 1.00 22.54 H new ATOM 0 HG LEU A 41 -0.510 5.366 3.460 1.00 61.50 H new ATOM 0 HD11 LEU A 41 -2.661 6.421 3.920 1.00 32.15 H new ATOM 0 HD12 LEU A 41 -1.583 6.475 5.335 1.00 32.15 H new ATOM 0 HD13 LEU A 41 -1.829 7.935 4.348 1.00 32.15 H new ATOM 0 HD21 LEU A 41 -1.707 6.497 1.635 1.00 14.42 H new ATOM 0 HD22 LEU A 41 -0.828 8.002 1.995 1.00 14.42 H new ATOM 0 HD23 LEU A 41 0.057 6.574 1.407 1.00 14.42 H new ATOM 660 N ALA A 42 2.805 4.613 4.206 1.00 1.14 N ATOM 661 CA ALA A 42 3.222 3.285 3.756 1.00 40.42 C ATOM 662 C ALA A 42 3.477 2.306 4.899 1.00 62.13 C ATOM 663 O ALA A 42 3.220 1.110 4.752 1.00 51.00 O ATOM 664 CB ALA A 42 4.466 3.417 2.905 1.00 40.51 C ATOM 0 H ALA A 42 3.486 5.344 3.999 1.00 1.14 H new ATOM 0 HA ALA A 42 2.397 2.871 3.177 1.00 40.42 H new ATOM 0 HB1 ALA A 42 4.782 2.430 2.567 1.00 40.51 H new ATOM 0 HB2 ALA A 42 4.251 4.045 2.041 1.00 40.51 H new ATOM 0 HB3 ALA A 42 5.263 3.871 3.494 1.00 40.51 H new ATOM 670 N LYS A 43 3.972 2.816 6.036 1.00 24.32 N ATOM 671 CA LYS A 43 4.197 1.994 7.238 1.00 10.23 C ATOM 672 C LYS A 43 2.873 1.434 7.757 1.00 73.14 C ATOM 673 O LYS A 43 2.796 0.285 8.196 1.00 45.05 O ATOM 674 CB LYS A 43 4.863 2.795 8.376 1.00 11.25 C ATOM 675 CG LYS A 43 6.361 3.055 8.228 1.00 31.41 C ATOM 676 CD LYS A 43 6.676 4.115 7.185 1.00 13.31 C ATOM 677 CE LYS A 43 8.155 4.453 7.144 1.00 64.31 C ATOM 678 NZ LYS A 43 8.581 5.198 8.353 1.00 33.12 N ATOM 0 H LYS A 43 4.226 3.797 6.150 1.00 24.32 H new ATOM 0 HA LYS A 43 4.865 1.186 6.941 1.00 10.23 H new ATOM 0 HB2 LYS A 43 4.355 3.756 8.462 1.00 11.25 H new ATOM 0 HB3 LYS A 43 4.698 2.262 9.312 1.00 11.25 H new ATOM 0 HG2 LYS A 43 6.768 3.367 9.190 1.00 31.41 H new ATOM 0 HG3 LYS A 43 6.861 2.125 7.957 1.00 31.41 H new ATOM 0 HD2 LYS A 43 6.357 3.763 6.204 1.00 13.31 H new ATOM 0 HD3 LYS A 43 6.104 5.017 7.401 1.00 13.31 H new ATOM 0 HE2 LYS A 43 8.736 3.535 7.059 1.00 64.31 H new ATOM 0 HE3 LYS A 43 8.368 5.048 6.256 1.00 64.31 H new ATOM 0 HZ1 LYS A 43 9.615 5.308 8.347 1.00 33.12 H new ATOM 0 HZ2 LYS A 43 8.133 6.137 8.358 1.00 33.12 H new ATOM 0 HZ3 LYS A 43 8.294 4.673 9.204 1.00 33.12 H new ATOM 692 N ARG A 44 1.841 2.272 7.683 1.00 3.32 N ATOM 693 CA ARG A 44 0.495 1.914 8.097 1.00 52.41 C ATOM 694 C ARG A 44 -0.160 0.922 7.137 1.00 44.24 C ATOM 695 O ARG A 44 -0.575 -0.142 7.576 1.00 3.51 O ATOM 696 CB ARG A 44 -0.361 3.172 8.222 1.00 42.43 C ATOM 697 CG ARG A 44 0.022 4.049 9.398 1.00 14.45 C ATOM 698 CD ARG A 44 -0.844 5.287 9.434 1.00 23.42 C ATOM 699 NE ARG A 44 -0.810 5.969 10.727 1.00 21.32 N ATOM 700 CZ ARG A 44 -1.896 6.206 11.475 1.00 22.31 C ATOM 701 NH1 ARG A 44 -3.089 5.738 11.108 1.00 54.14 N ATOM 702 NH2 ARG A 44 -1.783 6.886 12.606 1.00 51.24 N ATOM 0 H ARG A 44 1.921 3.226 7.330 1.00 3.32 H new ATOM 0 HA ARG A 44 0.569 1.423 9.067 1.00 52.41 H new ATOM 0 HB2 ARG A 44 -0.276 3.752 7.303 1.00 42.43 H new ATOM 0 HB3 ARG A 44 -1.407 2.882 8.321 1.00 42.43 H new ATOM 0 HG2 ARG A 44 -0.090 3.491 10.328 1.00 14.45 H new ATOM 0 HG3 ARG A 44 1.071 4.333 9.322 1.00 14.45 H new ATOM 0 HD2 ARG A 44 -0.515 5.977 8.657 1.00 23.42 H new ATOM 0 HD3 ARG A 44 -1.873 5.011 9.201 1.00 23.42 H new ATOM 0 HE ARG A 44 0.094 6.283 11.080 1.00 21.32 H new ATOM 0 HH11 ARG A 44 -3.181 5.194 10.250 1.00 54.14 H new ATOM 0 HH12 ARG A 44 -3.909 5.924 11.685 1.00 54.14 H new ATOM 0 HH21 ARG A 44 -0.870 7.228 12.906 1.00 51.24 H new ATOM 0 HH22 ARG A 44 -2.609 7.067 13.177 1.00 51.24 H new ATOM 716 N THR A 45 -0.192 1.252 5.830 1.00 22.51 N ATOM 717 CA THR A 45 -0.928 0.480 4.809 1.00 24.23 C ATOM 718 C THR A 45 -0.419 -0.964 4.675 1.00 44.21 C ATOM 719 O THR A 45 -1.216 -1.906 4.647 1.00 11.45 O ATOM 720 CB THR A 45 -0.833 1.179 3.430 1.00 70.15 C ATOM 721 OG1 THR A 45 -1.131 2.568 3.577 1.00 4.40 O ATOM 722 CG2 THR A 45 -1.802 0.567 2.422 1.00 35.31 C ATOM 0 H THR A 45 0.294 2.065 5.452 1.00 22.51 H new ATOM 0 HA THR A 45 -1.965 0.440 5.142 1.00 24.23 H new ATOM 0 HB THR A 45 0.182 1.044 3.057 1.00 70.15 H new ATOM 0 HG1 THR A 45 -0.362 3.027 3.975 1.00 4.40 H new ATOM 0 HG21 THR A 45 -1.707 1.083 1.467 1.00 35.31 H new ATOM 0 HG22 THR A 45 -1.569 -0.489 2.289 1.00 35.31 H new ATOM 0 HG23 THR A 45 -2.823 0.670 2.790 1.00 35.31 H new ATOM 730 N LEU A 46 0.909 -1.122 4.639 1.00 35.04 N ATOM 731 CA LEU A 46 1.556 -2.432 4.480 1.00 31.44 C ATOM 732 C LEU A 46 1.298 -3.366 5.660 1.00 52.54 C ATOM 733 O LEU A 46 1.300 -4.578 5.486 1.00 22.33 O ATOM 734 CB LEU A 46 3.064 -2.279 4.265 1.00 4.14 C ATOM 735 CG LEU A 46 3.477 -1.612 2.952 1.00 13.13 C ATOM 736 CD1 LEU A 46 4.974 -1.404 2.937 1.00 21.53 C ATOM 737 CD2 LEU A 46 3.049 -2.448 1.754 1.00 65.01 C ATOM 0 H LEU A 46 1.566 -0.346 4.719 1.00 35.04 H new ATOM 0 HA LEU A 46 1.107 -2.885 3.596 1.00 31.44 H new ATOM 0 HB2 LEU A 46 3.474 -1.699 5.092 1.00 4.14 H new ATOM 0 HB3 LEU A 46 3.522 -3.267 4.310 1.00 4.14 H new ATOM 0 HG LEU A 46 2.977 -0.646 2.882 1.00 13.13 H new ATOM 0 HD11 LEU A 46 5.266 -0.929 2.001 1.00 21.53 H new ATOM 0 HD12 LEU A 46 5.261 -0.766 3.773 1.00 21.53 H new ATOM 0 HD13 LEU A 46 5.476 -2.367 3.027 1.00 21.53 H new ATOM 0 HD21 LEU A 46 3.356 -1.950 0.834 1.00 65.01 H new ATOM 0 HD22 LEU A 46 3.519 -3.430 1.809 1.00 65.01 H new ATOM 0 HD23 LEU A 46 1.965 -2.564 1.760 1.00 65.01 H new ATOM 749 N ALA A 47 1.064 -2.794 6.851 1.00 64.44 N ATOM 750 CA ALA A 47 0.788 -3.572 8.063 1.00 10.45 C ATOM 751 C ALA A 47 -0.576 -4.293 8.015 1.00 53.14 C ATOM 752 O ALA A 47 -0.763 -5.299 8.700 1.00 34.42 O ATOM 753 CB ALA A 47 0.865 -2.676 9.289 1.00 73.43 C ATOM 0 H ALA A 47 1.061 -1.785 6.998 1.00 64.44 H new ATOM 0 HA ALA A 47 1.553 -4.346 8.124 1.00 10.45 H new ATOM 0 HB1 ALA A 47 0.658 -3.264 10.183 1.00 73.43 H new ATOM 0 HB2 ALA A 47 1.863 -2.244 9.362 1.00 73.43 H new ATOM 0 HB3 ALA A 47 0.129 -1.877 9.202 1.00 73.43 H new ATOM 759 N LYS A 48 -1.517 -3.794 7.198 1.00 3.30 N ATOM 760 CA LYS A 48 -2.828 -4.441 7.040 1.00 12.11 C ATOM 761 C LYS A 48 -2.758 -5.579 6.022 1.00 5.11 C ATOM 762 O LYS A 48 -3.530 -6.537 6.101 1.00 54.41 O ATOM 763 CB LYS A 48 -3.921 -3.463 6.576 1.00 13.11 C ATOM 764 CG LYS A 48 -4.274 -2.349 7.552 1.00 54.14 C ATOM 765 CD LYS A 48 -3.511 -1.074 7.244 1.00 1.34 C ATOM 766 CE LYS A 48 -4.036 0.123 8.020 1.00 60.13 C ATOM 767 NZ LYS A 48 -3.996 -0.080 9.487 1.00 32.41 N ATOM 0 H LYS A 48 -1.395 -2.949 6.640 1.00 3.30 H new ATOM 0 HA LYS A 48 -3.088 -4.821 8.028 1.00 12.11 H new ATOM 0 HB2 LYS A 48 -3.601 -3.010 5.638 1.00 13.11 H new ATOM 0 HB3 LYS A 48 -4.825 -4.033 6.363 1.00 13.11 H new ATOM 0 HG2 LYS A 48 -5.345 -2.152 7.508 1.00 54.14 H new ATOM 0 HG3 LYS A 48 -4.050 -2.671 8.569 1.00 54.14 H new ATOM 0 HD2 LYS A 48 -2.457 -1.220 7.478 1.00 1.34 H new ATOM 0 HD3 LYS A 48 -3.574 -0.866 6.176 1.00 1.34 H new ATOM 0 HE2 LYS A 48 -3.446 1.003 7.764 1.00 60.13 H new ATOM 0 HE3 LYS A 48 -5.062 0.327 7.714 1.00 60.13 H new ATOM 0 HZ1 LYS A 48 -4.285 0.796 9.967 1.00 32.41 H new ATOM 0 HZ2 LYS A 48 -4.646 -0.849 9.749 1.00 32.41 H new ATOM 0 HZ3 LYS A 48 -3.029 -0.330 9.777 1.00 32.41 H new ATOM 781 N ILE A 49 -1.826 -5.473 5.068 1.00 73.40 N ATOM 782 CA ILE A 49 -1.738 -6.429 3.956 1.00 20.42 C ATOM 783 C ILE A 49 -0.679 -7.516 4.246 1.00 21.54 C ATOM 784 O ILE A 49 -0.587 -8.519 3.536 1.00 40.12 O ATOM 785 CB ILE A 49 -1.413 -5.707 2.606 1.00 22.40 C ATOM 786 CG1 ILE A 49 -2.095 -4.333 2.543 1.00 4.42 C ATOM 787 CG2 ILE A 49 -1.886 -6.550 1.425 1.00 4.35 C ATOM 788 CD1 ILE A 49 -1.534 -3.425 1.473 1.00 51.44 C ATOM 0 H ILE A 49 -1.122 -4.735 5.043 1.00 73.40 H new ATOM 0 HA ILE A 49 -2.713 -6.907 3.860 1.00 20.42 H new ATOM 0 HB ILE A 49 -0.333 -5.574 2.552 1.00 22.40 H new ATOM 0 HG12 ILE A 49 -3.161 -4.474 2.365 1.00 4.42 H new ATOM 0 HG13 ILE A 49 -1.996 -3.843 3.512 1.00 4.42 H new ATOM 0 HG21 ILE A 49 -1.653 -6.034 0.493 1.00 4.35 H new ATOM 0 HG22 ILE A 49 -1.381 -7.516 1.442 1.00 4.35 H new ATOM 0 HG23 ILE A 49 -2.963 -6.703 1.495 1.00 4.35 H new ATOM 0 HD11 ILE A 49 -2.065 -2.473 1.489 1.00 51.44 H new ATOM 0 HD12 ILE A 49 -0.474 -3.253 1.661 1.00 51.44 H new ATOM 0 HD13 ILE A 49 -1.658 -3.893 0.497 1.00 51.44 H new ATOM 800 N ALA A 50 0.135 -7.286 5.285 1.00 73.13 N ATOM 801 CA ALA A 50 1.101 -8.277 5.785 1.00 52.32 C ATOM 802 C ALA A 50 0.462 -9.615 6.254 1.00 35.15 C ATOM 803 O ALA A 50 1.015 -10.662 5.933 1.00 72.42 O ATOM 804 CB ALA A 50 1.980 -7.660 6.874 1.00 51.42 C ATOM 0 H ALA A 50 0.143 -6.408 5.804 1.00 73.13 H new ATOM 0 HA ALA A 50 1.724 -8.551 4.933 1.00 52.32 H new ATOM 0 HB1 ALA A 50 2.690 -8.405 7.234 1.00 51.42 H new ATOM 0 HB2 ALA A 50 2.524 -6.809 6.464 1.00 51.42 H new ATOM 0 HB3 ALA A 50 1.354 -7.326 7.701 1.00 51.42 H new ATOM 810 N PRO A 51 -0.682 -9.652 7.030 1.00 71.34 N ATOM 811 CA PRO A 51 -1.391 -10.925 7.299 1.00 73.43 C ATOM 812 C PRO A 51 -2.296 -11.406 6.142 1.00 73.31 C ATOM 813 O PRO A 51 -3.088 -12.333 6.315 1.00 31.21 O ATOM 814 CB PRO A 51 -2.232 -10.600 8.533 1.00 14.45 C ATOM 815 CG PRO A 51 -2.519 -9.148 8.427 1.00 41.32 C ATOM 816 CD PRO A 51 -1.310 -8.534 7.787 1.00 63.04 C ATOM 0 HA PRO A 51 -0.684 -11.744 7.431 1.00 73.43 H new ATOM 0 HB2 PRO A 51 -3.152 -11.184 8.549 1.00 14.45 H new ATOM 0 HB3 PRO A 51 -1.692 -10.830 9.451 1.00 14.45 H new ATOM 0 HG2 PRO A 51 -3.411 -8.969 7.827 1.00 41.32 H new ATOM 0 HG3 PRO A 51 -2.703 -8.714 9.410 1.00 41.32 H new ATOM 0 HD2 PRO A 51 -1.585 -7.712 7.126 1.00 63.04 H new ATOM 0 HD3 PRO A 51 -0.628 -8.128 8.534 1.00 63.04 H new ATOM 824 N LEU A 52 -2.169 -10.777 4.972 1.00 63.35 N ATOM 825 CA LEU A 52 -2.908 -11.175 3.776 1.00 54.33 C ATOM 826 C LEU A 52 -1.965 -11.831 2.770 1.00 3.25 C ATOM 827 O LEU A 52 -0.769 -11.968 3.031 1.00 43.52 O ATOM 828 CB LEU A 52 -3.585 -9.954 3.128 1.00 4.40 C ATOM 829 CG LEU A 52 -4.676 -9.268 3.957 1.00 30.21 C ATOM 830 CD1 LEU A 52 -5.196 -8.035 3.227 1.00 52.30 C ATOM 831 CD2 LEU A 52 -5.812 -10.232 4.230 1.00 31.02 C ATOM 0 H LEU A 52 -1.551 -9.978 4.829 1.00 63.35 H new ATOM 0 HA LEU A 52 -3.676 -11.890 4.070 1.00 54.33 H new ATOM 0 HB2 LEU A 52 -2.815 -9.217 2.897 1.00 4.40 H new ATOM 0 HB3 LEU A 52 -4.021 -10.267 2.179 1.00 4.40 H new ATOM 0 HG LEU A 52 -4.246 -8.956 4.909 1.00 30.21 H new ATOM 0 HD11 LEU A 52 -5.971 -7.557 3.827 1.00 52.30 H new ATOM 0 HD12 LEU A 52 -4.377 -7.334 3.067 1.00 52.30 H new ATOM 0 HD13 LEU A 52 -5.613 -8.331 2.265 1.00 52.30 H new ATOM 0 HD21 LEU A 52 -6.580 -9.732 4.820 1.00 31.02 H new ATOM 0 HD22 LEU A 52 -6.240 -10.566 3.285 1.00 31.02 H new ATOM 0 HD23 LEU A 52 -5.434 -11.093 4.782 1.00 31.02 H new ATOM 843 N THR A 53 -2.502 -12.240 1.623 1.00 12.25 N ATOM 844 CA THR A 53 -1.693 -12.779 0.547 1.00 40.23 C ATOM 845 C THR A 53 -2.229 -12.222 -0.797 1.00 71.41 C ATOM 846 O THR A 53 -3.047 -11.286 -0.777 1.00 3.43 O ATOM 847 CB THR A 53 -1.609 -14.345 0.662 1.00 73.45 C ATOM 848 OG1 THR A 53 -0.859 -14.935 -0.412 1.00 63.31 O ATOM 849 CG2 THR A 53 -2.981 -14.991 0.756 1.00 70.10 C ATOM 0 H THR A 53 -3.501 -12.205 1.420 1.00 12.25 H new ATOM 0 HA THR A 53 -0.654 -12.455 0.610 1.00 40.23 H new ATOM 0 HB THR A 53 -1.076 -14.541 1.593 1.00 73.45 H new ATOM 0 HG1 THR A 53 -0.833 -15.908 -0.297 1.00 63.31 H new ATOM 0 HG21 THR A 53 -2.869 -16.072 0.834 1.00 70.10 H new ATOM 0 HG22 THR A 53 -3.500 -14.616 1.638 1.00 70.10 H new ATOM 0 HG23 THR A 53 -3.559 -14.749 -0.136 1.00 70.10 H new ATOM 857 N GLU A 54 -1.760 -12.748 -1.938 1.00 42.24 N ATOM 858 CA GLU A 54 -1.981 -12.143 -3.266 1.00 41.32 C ATOM 859 C GLU A 54 -3.450 -12.132 -3.670 1.00 71.34 C ATOM 860 O GLU A 54 -3.942 -11.124 -4.168 1.00 55.14 O ATOM 861 CB GLU A 54 -1.177 -12.877 -4.356 1.00 70.32 C ATOM 862 CG GLU A 54 0.318 -12.921 -4.120 1.00 71.11 C ATOM 863 CD GLU A 54 0.916 -11.558 -3.900 1.00 32.33 C ATOM 864 OE1 GLU A 54 0.620 -10.641 -4.686 1.00 71.23 O ATOM 865 OE2 GLU A 54 1.674 -11.399 -2.923 1.00 33.23 O ATOM 0 H GLU A 54 -1.214 -13.609 -1.969 1.00 42.24 H new ATOM 0 HA GLU A 54 -1.638 -11.112 -3.180 1.00 41.32 H new ATOM 0 HB2 GLU A 54 -1.548 -13.899 -4.436 1.00 70.32 H new ATOM 0 HB3 GLU A 54 -1.365 -12.393 -5.315 1.00 70.32 H new ATOM 0 HG2 GLU A 54 0.526 -13.548 -3.253 1.00 71.11 H new ATOM 0 HG3 GLU A 54 0.802 -13.391 -4.976 1.00 71.11 H new ATOM 872 N ASN A 55 -4.137 -13.246 -3.427 1.00 72.43 N ATOM 873 CA ASN A 55 -5.548 -13.411 -3.799 1.00 20.54 C ATOM 874 C ASN A 55 -6.475 -12.501 -2.983 1.00 33.33 C ATOM 875 O ASN A 55 -7.489 -12.020 -3.500 1.00 45.14 O ATOM 876 CB ASN A 55 -5.969 -14.897 -3.676 1.00 12.11 C ATOM 877 CG ASN A 55 -5.976 -15.483 -2.264 1.00 50.41 C ATOM 878 OD1 ASN A 55 -5.221 -15.079 -1.397 1.00 22.32 O ATOM 879 ND2 ASN A 55 -6.827 -16.460 -2.028 1.00 52.51 N ATOM 0 H ASN A 55 -3.735 -14.062 -2.967 1.00 72.43 H new ATOM 0 HA ASN A 55 -5.650 -13.106 -4.840 1.00 20.54 H new ATOM 0 HB2 ASN A 55 -6.969 -15.006 -4.097 1.00 12.11 H new ATOM 0 HB3 ASN A 55 -5.297 -15.495 -4.292 1.00 12.11 H new ATOM 0 HD21 ASN A 55 -6.863 -16.893 -1.105 1.00 52.51 H new ATOM 0 HD22 ASN A 55 -7.450 -16.783 -2.768 1.00 52.51 H new ATOM 886 N GLU A 56 -6.091 -12.248 -1.733 1.00 3.25 N ATOM 887 CA GLU A 56 -6.834 -11.380 -0.832 1.00 63.11 C ATOM 888 C GLU A 56 -6.807 -9.931 -1.292 1.00 52.20 C ATOM 889 O GLU A 56 -7.825 -9.252 -1.238 1.00 71.33 O ATOM 890 CB GLU A 56 -6.249 -11.482 0.571 1.00 22.12 C ATOM 891 CG GLU A 56 -6.527 -12.805 1.256 1.00 14.31 C ATOM 892 CD GLU A 56 -7.974 -12.939 1.674 1.00 61.22 C ATOM 893 OE1 GLU A 56 -8.321 -12.457 2.767 1.00 70.40 O ATOM 894 OE2 GLU A 56 -8.772 -13.512 0.917 1.00 34.41 O ATOM 0 H GLU A 56 -5.248 -12.645 -1.317 1.00 3.25 H new ATOM 0 HA GLU A 56 -7.873 -11.710 -0.831 1.00 63.11 H new ATOM 0 HB2 GLU A 56 -5.171 -11.331 0.517 1.00 22.12 H new ATOM 0 HB3 GLU A 56 -6.653 -10.675 1.182 1.00 22.12 H new ATOM 0 HG2 GLU A 56 -6.268 -13.622 0.583 1.00 14.31 H new ATOM 0 HG3 GLU A 56 -5.887 -12.900 2.133 1.00 14.31 H new ATOM 901 N TYR A 57 -5.637 -9.472 -1.752 1.00 30.41 N ATOM 902 CA TYR A 57 -5.489 -8.105 -2.224 1.00 52.43 C ATOM 903 C TYR A 57 -6.124 -7.917 -3.607 1.00 32.12 C ATOM 904 O TYR A 57 -6.734 -6.891 -3.849 1.00 65.22 O ATOM 905 CB TYR A 57 -4.008 -7.678 -2.264 1.00 41.32 C ATOM 906 CG TYR A 57 -3.798 -6.292 -2.862 1.00 75.42 C ATOM 907 CD1 TYR A 57 -4.042 -5.147 -2.117 1.00 73.40 C ATOM 908 CD2 TYR A 57 -3.419 -6.140 -4.196 1.00 44.13 C ATOM 909 CE1 TYR A 57 -3.916 -3.897 -2.684 1.00 51.44 C ATOM 910 CE2 TYR A 57 -3.278 -4.895 -4.759 1.00 61.10 C ATOM 911 CZ TYR A 57 -3.535 -3.777 -4.007 1.00 5.14 C ATOM 912 OH TYR A 57 -3.421 -2.536 -4.580 1.00 44.00 O ATOM 0 H TYR A 57 -4.786 -10.031 -1.804 1.00 30.41 H new ATOM 0 HA TYR A 57 -6.013 -7.467 -1.513 1.00 52.43 H new ATOM 0 HB2 TYR A 57 -3.604 -7.695 -1.252 1.00 41.32 H new ATOM 0 HB3 TYR A 57 -3.442 -8.407 -2.845 1.00 41.32 H new ATOM 0 HD1 TYR A 57 -4.334 -5.236 -1.081 1.00 73.40 H new ATOM 0 HD2 TYR A 57 -3.233 -7.018 -4.797 1.00 44.13 H new ATOM 0 HE1 TYR A 57 -4.115 -3.013 -2.096 1.00 51.44 H new ATOM 0 HE2 TYR A 57 -2.966 -4.797 -5.788 1.00 61.10 H new ATOM 0 HH TYR A 57 -4.290 -2.084 -4.557 1.00 44.00 H new ATOM 922 N ALA A 58 -5.991 -8.916 -4.488 1.00 24.04 N ATOM 923 CA ALA A 58 -6.338 -8.776 -5.916 1.00 62.23 C ATOM 924 C ALA A 58 -7.836 -8.553 -6.171 1.00 71.45 C ATOM 925 O ALA A 58 -8.209 -8.004 -7.207 1.00 44.25 O ATOM 926 CB ALA A 58 -5.855 -9.991 -6.689 1.00 3.22 C ATOM 0 H ALA A 58 -5.642 -9.841 -4.238 1.00 24.04 H new ATOM 0 HA ALA A 58 -5.831 -7.877 -6.267 1.00 62.23 H new ATOM 0 HB1 ALA A 58 -6.115 -9.880 -7.742 1.00 3.22 H new ATOM 0 HB2 ALA A 58 -4.773 -10.079 -6.590 1.00 3.22 H new ATOM 0 HB3 ALA A 58 -6.330 -10.888 -6.291 1.00 3.22 H new ATOM 932 N GLU A 59 -8.686 -8.985 -5.237 1.00 51.31 N ATOM 933 CA GLU A 59 -10.129 -8.750 -5.329 1.00 71.23 C ATOM 934 C GLU A 59 -10.496 -7.326 -4.903 1.00 3.23 C ATOM 935 O GLU A 59 -11.423 -6.731 -5.454 1.00 73.30 O ATOM 936 CB GLU A 59 -10.892 -9.758 -4.474 1.00 41.10 C ATOM 937 CG GLU A 59 -10.719 -11.187 -4.940 1.00 51.32 C ATOM 938 CD GLU A 59 -11.504 -12.163 -4.098 1.00 63.05 C ATOM 939 OE1 GLU A 59 -11.085 -12.442 -2.969 1.00 62.34 O ATOM 940 OE2 GLU A 59 -12.543 -12.657 -4.572 1.00 64.33 O ATOM 0 H GLU A 59 -8.399 -9.501 -4.405 1.00 51.31 H new ATOM 0 HA GLU A 59 -10.413 -8.877 -6.374 1.00 71.23 H new ATOM 0 HB2 GLU A 59 -10.555 -9.676 -3.441 1.00 41.10 H new ATOM 0 HB3 GLU A 59 -11.952 -9.505 -4.485 1.00 41.10 H new ATOM 0 HG2 GLU A 59 -11.037 -11.269 -5.979 1.00 51.32 H new ATOM 0 HG3 GLU A 59 -9.662 -11.452 -4.909 1.00 51.32 H new ATOM 947 N LEU A 60 -9.759 -6.787 -3.930 1.00 22.40 N ATOM 948 CA LEU A 60 -9.988 -5.428 -3.425 1.00 11.54 C ATOM 949 C LEU A 60 -9.444 -4.420 -4.431 1.00 4.42 C ATOM 950 O LEU A 60 -10.177 -3.549 -4.913 1.00 70.43 O ATOM 951 CB LEU A 60 -9.275 -5.228 -2.076 1.00 73.05 C ATOM 952 CG LEU A 60 -9.408 -6.363 -1.049 1.00 43.34 C ATOM 953 CD1 LEU A 60 -8.450 -6.125 0.101 1.00 64.13 C ATOM 954 CD2 LEU A 60 -10.829 -6.485 -0.521 1.00 0.41 C ATOM 0 H LEU A 60 -8.990 -7.275 -3.471 1.00 22.40 H new ATOM 0 HA LEU A 60 -11.059 -5.280 -3.285 1.00 11.54 H new ATOM 0 HB2 LEU A 60 -8.215 -5.069 -2.272 1.00 73.05 H new ATOM 0 HB3 LEU A 60 -9.656 -4.313 -1.623 1.00 73.05 H new ATOM 0 HG LEU A 60 -9.161 -7.298 -1.551 1.00 43.34 H new ATOM 0 HD11 LEU A 60 -8.547 -6.932 0.828 1.00 64.13 H new ATOM 0 HD12 LEU A 60 -7.428 -6.097 -0.277 1.00 64.13 H new ATOM 0 HD13 LEU A 60 -8.686 -5.175 0.580 1.00 64.13 H new ATOM 0 HD21 LEU A 60 -10.880 -7.299 0.202 1.00 0.41 H new ATOM 0 HD22 LEU A 60 -11.119 -5.552 -0.038 1.00 0.41 H new ATOM 0 HD23 LEU A 60 -11.508 -6.692 -1.348 1.00 0.41 H new ATOM 966 N ALA A 61 -8.142 -4.595 -4.723 1.00 44.01 N ATOM 967 CA ALA A 61 -7.372 -3.836 -5.710 1.00 2.11 C ATOM 968 C ALA A 61 -7.455 -2.319 -5.503 1.00 1.51 C ATOM 969 O ALA A 61 -6.893 -1.800 -4.537 1.00 73.21 O ATOM 970 CB ALA A 61 -7.741 -4.256 -7.131 1.00 72.11 C ATOM 0 H ALA A 61 -7.578 -5.303 -4.253 1.00 44.01 H new ATOM 0 HA ALA A 61 -6.322 -4.086 -5.555 1.00 2.11 H new ATOM 0 HB1 ALA A 61 -7.155 -3.677 -7.845 1.00 72.11 H new ATOM 0 HB2 ALA A 61 -7.529 -5.317 -7.263 1.00 72.11 H new ATOM 0 HB3 ALA A 61 -8.802 -4.074 -7.300 1.00 72.11 H new ATOM 976 N ILE A 62 -8.166 -1.614 -6.389 1.00 31.20 N ATOM 977 CA ILE A 62 -8.289 -0.169 -6.297 1.00 13.33 C ATOM 978 C ILE A 62 -9.740 0.162 -5.976 1.00 55.02 C ATOM 979 O ILE A 62 -10.579 0.314 -6.869 1.00 41.01 O ATOM 980 CB ILE A 62 -7.851 0.560 -7.608 1.00 35.25 C ATOM 981 CG1 ILE A 62 -6.533 -0.013 -8.191 1.00 22.11 C ATOM 982 CG2 ILE A 62 -7.715 2.063 -7.370 1.00 41.32 C ATOM 983 CD1 ILE A 62 -5.332 0.043 -7.260 1.00 52.24 C ATOM 0 H ILE A 62 -8.663 -2.029 -7.177 1.00 31.20 H new ATOM 0 HA ILE A 62 -7.621 0.184 -5.511 1.00 13.33 H new ATOM 0 HB ILE A 62 -8.635 0.384 -8.345 1.00 35.25 H new ATOM 0 HG12 ILE A 62 -6.702 -1.051 -8.476 1.00 22.11 H new ATOM 0 HG13 ILE A 62 -6.291 0.533 -9.103 1.00 22.11 H new ATOM 0 HG21 ILE A 62 -7.409 2.552 -8.295 1.00 41.32 H new ATOM 0 HG22 ILE A 62 -8.673 2.468 -7.045 1.00 41.32 H new ATOM 0 HG23 ILE A 62 -6.965 2.243 -6.600 1.00 41.32 H new ATOM 0 HD11 ILE A 62 -4.462 -0.381 -7.762 1.00 52.24 H new ATOM 0 HD12 ILE A 62 -5.127 1.080 -6.993 1.00 52.24 H new ATOM 0 HD13 ILE A 62 -5.545 -0.529 -6.357 1.00 52.24 H new ATOM 995 N PHE A 63 -10.044 0.198 -4.690 1.00 71.41 N ATOM 996 CA PHE A 63 -11.406 0.413 -4.233 1.00 23.42 C ATOM 997 C PHE A 63 -11.621 1.840 -3.721 1.00 35.00 C ATOM 998 O PHE A 63 -12.755 2.246 -3.485 1.00 31.02 O ATOM 999 CB PHE A 63 -11.802 -0.631 -3.168 1.00 12.53 C ATOM 1000 CG PHE A 63 -10.923 -0.699 -1.936 1.00 31.44 C ATOM 1001 CD1 PHE A 63 -9.806 -1.519 -1.906 1.00 15.34 C ATOM 1002 CD2 PHE A 63 -11.241 0.028 -0.796 1.00 41.53 C ATOM 1003 CE1 PHE A 63 -9.016 -1.599 -0.778 1.00 41.45 C ATOM 1004 CE2 PHE A 63 -10.455 -0.052 0.334 1.00 43.51 C ATOM 1005 CZ PHE A 63 -9.345 -0.870 0.343 1.00 23.13 C ATOM 0 H PHE A 63 -9.362 0.080 -3.941 1.00 71.41 H new ATOM 0 HA PHE A 63 -12.062 0.283 -5.094 1.00 23.42 H new ATOM 0 HB2 PHE A 63 -12.823 -0.424 -2.849 1.00 12.53 H new ATOM 0 HB3 PHE A 63 -11.809 -1.614 -3.638 1.00 12.53 H new ATOM 0 HD1 PHE A 63 -9.551 -2.103 -2.778 1.00 15.34 H new ATOM 0 HD2 PHE A 63 -12.114 0.663 -0.795 1.00 41.53 H new ATOM 0 HE1 PHE A 63 -8.141 -2.232 -0.774 1.00 41.45 H new ATOM 0 HE2 PHE A 63 -10.708 0.525 1.211 1.00 43.51 H new ATOM 0 HZ PHE A 63 -8.733 -0.939 1.230 1.00 23.13 H new ATOM 1015 N ALA A 64 -10.535 2.594 -3.555 1.00 51.51 N ATOM 1016 CA ALA A 64 -10.611 3.948 -3.018 1.00 33.45 C ATOM 1017 C ALA A 64 -9.550 4.852 -3.639 1.00 11.53 C ATOM 1018 O ALA A 64 -8.464 5.041 -3.089 1.00 15.23 O ATOM 1019 CB ALA A 64 -10.496 3.929 -1.496 1.00 2.05 C ATOM 0 H ALA A 64 -9.590 2.287 -3.786 1.00 51.51 H new ATOM 0 HA ALA A 64 -11.585 4.360 -3.281 1.00 33.45 H new ATOM 0 HB1 ALA A 64 -10.555 4.948 -1.114 1.00 2.05 H new ATOM 0 HB2 ALA A 64 -11.310 3.337 -1.077 1.00 2.05 H new ATOM 0 HB3 ALA A 64 -9.541 3.488 -1.209 1.00 2.05 H new ATOM 1025 N ALA A 65 -9.855 5.361 -4.820 1.00 40.32 N ATOM 1026 CA ALA A 65 -9.052 6.401 -5.448 1.00 64.04 C ATOM 1027 C ALA A 65 -9.977 7.498 -5.981 1.00 51.42 C ATOM 1028 O ALA A 65 -9.592 8.316 -6.814 1.00 33.10 O ATOM 1029 CB ALA A 65 -8.187 5.816 -6.560 1.00 33.11 C ATOM 0 H ALA A 65 -10.662 5.068 -5.370 1.00 40.32 H new ATOM 0 HA ALA A 65 -8.379 6.837 -4.709 1.00 64.04 H new ATOM 0 HB1 ALA A 65 -7.595 6.610 -7.016 1.00 33.11 H new ATOM 0 HB2 ALA A 65 -7.521 5.060 -6.144 1.00 33.11 H new ATOM 0 HB3 ALA A 65 -8.826 5.360 -7.316 1.00 33.11 H new ATOM 1035 N ASP A 66 -11.194 7.517 -5.443 1.00 52.34 N ATOM 1036 CA ASP A 66 -12.243 8.446 -5.862 1.00 34.24 C ATOM 1037 C ASP A 66 -12.034 9.824 -5.251 1.00 3.44 C ATOM 1038 O ASP A 66 -12.169 10.836 -5.928 1.00 72.32 O ATOM 1039 CB ASP A 66 -13.613 7.917 -5.426 1.00 23.03 C ATOM 1040 CG ASP A 66 -13.926 6.541 -5.972 1.00 22.54 C ATOM 1041 OD1 ASP A 66 -13.463 5.544 -5.379 1.00 25.04 O ATOM 1042 OD2 ASP A 66 -14.647 6.449 -6.983 1.00 62.32 O ATOM 0 H ASP A 66 -11.483 6.883 -4.698 1.00 52.34 H new ATOM 0 HA ASP A 66 -12.199 8.530 -6.948 1.00 34.24 H new ATOM 0 HB2 ASP A 66 -13.653 7.886 -4.337 1.00 23.03 H new ATOM 0 HB3 ASP A 66 -14.385 8.614 -5.753 1.00 23.03 H new ATOM 1047 N GLU A 67 -11.680 9.845 -3.970 1.00 32.41 N ATOM 1048 CA GLU A 67 -11.560 11.088 -3.203 1.00 54.11 C ATOM 1049 C GLU A 67 -10.233 11.813 -3.447 1.00 50.32 C ATOM 1050 O GLU A 67 -10.104 12.987 -3.112 1.00 44.42 O ATOM 1051 CB GLU A 67 -11.715 10.781 -1.716 1.00 72.31 C ATOM 1052 CG GLU A 67 -13.128 10.441 -1.292 1.00 42.15 C ATOM 1053 CD GLU A 67 -14.006 11.661 -1.190 1.00 52.51 C ATOM 1054 OE1 GLU A 67 -13.841 12.433 -0.224 1.00 2.33 O ATOM 1055 OE2 GLU A 67 -14.863 11.858 -2.067 1.00 12.32 O ATOM 0 H GLU A 67 -11.468 9.005 -3.432 1.00 32.41 H new ATOM 0 HA GLU A 67 -12.352 11.756 -3.541 1.00 54.11 H new ATOM 0 HB2 GLU A 67 -11.061 9.948 -1.459 1.00 72.31 H new ATOM 0 HB3 GLU A 67 -11.374 11.642 -1.142 1.00 72.31 H new ATOM 0 HG2 GLU A 67 -13.562 9.743 -2.009 1.00 42.15 H new ATOM 0 HG3 GLU A 67 -13.103 9.933 -0.328 1.00 42.15 H new ATOM 1062 N VAL A 68 -9.260 11.130 -4.050 1.00 51.34 N ATOM 1063 CA VAL A 68 -7.945 11.733 -4.314 1.00 55.41 C ATOM 1064 C VAL A 68 -7.883 12.388 -5.701 1.00 52.13 C ATOM 1065 O VAL A 68 -6.841 12.912 -6.106 1.00 51.31 O ATOM 1066 CB VAL A 68 -6.787 10.710 -4.171 1.00 1.50 C ATOM 1067 CG1 VAL A 68 -6.665 10.228 -2.731 1.00 1.54 C ATOM 1068 CG2 VAL A 68 -6.967 9.529 -5.118 1.00 3.34 C ATOM 0 H VAL A 68 -9.352 10.164 -4.365 1.00 51.34 H new ATOM 0 HA VAL A 68 -7.816 12.505 -3.555 1.00 55.41 H new ATOM 0 HB VAL A 68 -5.863 11.219 -4.444 1.00 1.50 H new ATOM 0 HG11 VAL A 68 -5.847 9.512 -2.655 1.00 1.54 H new ATOM 0 HG12 VAL A 68 -6.465 11.078 -2.079 1.00 1.54 H new ATOM 0 HG13 VAL A 68 -7.596 9.749 -2.428 1.00 1.54 H new ATOM 0 HG21 VAL A 68 -6.139 8.832 -4.992 1.00 3.34 H new ATOM 0 HG22 VAL A 68 -7.905 9.022 -4.893 1.00 3.34 H new ATOM 0 HG23 VAL A 68 -6.986 9.887 -6.147 1.00 3.34 H new ATOM 1078 N LEU A 69 -9.010 12.368 -6.418 1.00 11.32 N ATOM 1079 CA LEU A 69 -9.103 12.998 -7.729 1.00 21.01 C ATOM 1080 C LEU A 69 -9.218 14.514 -7.580 1.00 65.22 C ATOM 1081 O LEU A 69 -9.787 14.992 -6.592 1.00 24.23 O ATOM 1082 CB LEU A 69 -10.287 12.429 -8.518 1.00 31.50 C ATOM 1083 CG LEU A 69 -10.252 10.907 -8.729 1.00 3.50 C ATOM 1084 CD1 LEU A 69 -11.472 10.440 -9.500 1.00 34.14 C ATOM 1085 CD2 LEU A 69 -8.977 10.481 -9.445 1.00 2.02 C ATOM 0 H LEU A 69 -9.872 11.919 -6.107 1.00 11.32 H new ATOM 0 HA LEU A 69 -8.193 12.779 -8.288 1.00 21.01 H new ATOM 0 HB2 LEU A 69 -11.209 12.688 -7.998 1.00 31.50 H new ATOM 0 HB3 LEU A 69 -10.323 12.916 -9.493 1.00 31.50 H new ATOM 0 HG LEU A 69 -10.264 10.436 -7.746 1.00 3.50 H new ATOM 0 HD11 LEU A 69 -11.424 9.360 -9.637 1.00 34.14 H new ATOM 0 HD12 LEU A 69 -12.374 10.696 -8.944 1.00 34.14 H new ATOM 0 HD13 LEU A 69 -11.496 10.928 -10.474 1.00 34.14 H new ATOM 0 HD21 LEU A 69 -8.980 9.399 -9.581 1.00 2.02 H new ATOM 0 HD22 LEU A 69 -8.926 10.969 -10.419 1.00 2.02 H new ATOM 0 HD23 LEU A 69 -8.111 10.770 -8.849 1.00 2.02 H new ATOM 1097 N GLU A 70 -8.605 15.230 -8.551 1.00 51.42 N ATOM 1098 CA GLU A 70 -8.399 16.705 -8.559 1.00 63.25 C ATOM 1099 C GLU A 70 -7.242 17.130 -7.617 1.00 53.40 C ATOM 1100 O GLU A 70 -6.647 18.195 -7.806 1.00 4.52 O ATOM 1101 CB GLU A 70 -9.689 17.496 -8.247 1.00 43.44 C ATOM 1102 CG GLU A 70 -9.608 18.985 -8.552 1.00 0.44 C ATOM 1103 CD GLU A 70 -10.722 19.772 -7.913 1.00 40.45 C ATOM 1104 OE1 GLU A 70 -10.576 20.140 -6.732 1.00 41.13 O ATOM 1105 OE2 GLU A 70 -11.740 20.036 -8.579 1.00 10.54 O ATOM 0 H GLU A 70 -8.224 14.783 -9.385 1.00 51.42 H new ATOM 0 HA GLU A 70 -8.114 16.961 -9.579 1.00 63.25 H new ATOM 0 HB2 GLU A 70 -10.511 17.065 -8.819 1.00 43.44 H new ATOM 0 HB3 GLU A 70 -9.933 17.367 -7.192 1.00 43.44 H new ATOM 0 HG2 GLU A 70 -8.650 19.371 -8.204 1.00 0.44 H new ATOM 0 HG3 GLU A 70 -9.638 19.132 -9.632 1.00 0.44 H new ATOM 1112 N HIS A 71 -6.888 16.271 -6.647 1.00 34.44 N ATOM 1113 CA HIS A 71 -5.841 16.563 -5.662 1.00 11.32 C ATOM 1114 C HIS A 71 -4.457 16.194 -6.202 1.00 70.01 C ATOM 1115 O HIS A 71 -3.875 15.178 -5.804 1.00 63.13 O ATOM 1116 CB HIS A 71 -6.109 15.821 -4.343 1.00 20.12 C ATOM 1117 CG HIS A 71 -7.328 16.291 -3.608 1.00 62.13 C ATOM 1118 ND1 HIS A 71 -8.454 15.515 -3.431 1.00 24.33 N ATOM 1119 CD2 HIS A 71 -7.584 17.460 -2.986 1.00 10.52 C ATOM 1120 CE1 HIS A 71 -9.345 16.196 -2.739 1.00 31.21 C ATOM 1121 NE2 HIS A 71 -8.844 17.378 -2.457 1.00 22.12 N ATOM 0 H HIS A 71 -7.321 15.356 -6.526 1.00 34.44 H new ATOM 0 HA HIS A 71 -5.860 17.636 -5.469 1.00 11.32 H new ATOM 0 HB2 HIS A 71 -6.214 14.757 -4.553 1.00 20.12 H new ATOM 0 HB3 HIS A 71 -5.241 15.934 -3.693 1.00 20.12 H new ATOM 0 HD1 HIS A 71 -8.578 14.565 -3.780 1.00 24.33 H new ATOM 0 HD2 HIS A 71 -6.917 18.306 -2.918 1.00 10.52 H new ATOM 0 HE1 HIS A 71 -10.324 15.842 -2.451 1.00 31.21 H new ATOM 1130 N HIS A 72 -3.975 17.032 -7.134 1.00 15.24 N ATOM 1131 CA HIS A 72 -2.680 16.881 -7.830 1.00 63.22 C ATOM 1132 C HIS A 72 -2.527 15.502 -8.488 1.00 42.32 C ATOM 1133 O HIS A 72 -1.521 14.804 -8.304 1.00 14.51 O ATOM 1134 CB HIS A 72 -1.492 17.198 -6.898 1.00 73.35 C ATOM 1135 CG HIS A 72 -1.432 18.631 -6.458 1.00 13.41 C ATOM 1136 ND1 HIS A 72 -1.244 19.679 -7.331 1.00 41.22 N ATOM 1137 CD2 HIS A 72 -1.559 19.190 -5.234 1.00 73.21 C ATOM 1138 CE1 HIS A 72 -1.259 20.815 -6.663 1.00 33.42 C ATOM 1139 NE2 HIS A 72 -1.447 20.546 -5.389 1.00 61.21 N ATOM 0 H HIS A 72 -4.489 17.860 -7.436 1.00 15.24 H new ATOM 0 HA HIS A 72 -2.672 17.616 -8.635 1.00 63.22 H new ATOM 0 HB2 HIS A 72 -1.553 16.560 -6.017 1.00 73.35 H new ATOM 0 HB3 HIS A 72 -0.563 16.946 -7.410 1.00 73.35 H new ATOM 0 HD2 HIS A 72 -1.719 18.664 -4.305 1.00 73.21 H new ATOM 0 HE1 HIS A 72 -1.138 21.800 -7.089 1.00 33.42 H new ATOM 0 HE2 HIS A 72 -1.501 21.235 -4.639 1.00 61.21 H new ATOM 1148 N HIS A 73 -3.544 15.129 -9.268 1.00 75.25 N ATOM 1149 CA HIS A 73 -3.559 13.863 -9.986 1.00 62.02 C ATOM 1150 C HIS A 73 -2.700 13.976 -11.248 1.00 33.14 C ATOM 1151 O HIS A 73 -2.763 14.981 -11.965 1.00 34.11 O ATOM 1152 CB HIS A 73 -5.013 13.472 -10.331 1.00 32.15 C ATOM 1153 CG HIS A 73 -5.186 12.106 -10.950 1.00 44.34 C ATOM 1154 ND1 HIS A 73 -5.467 11.916 -12.285 1.00 20.43 N ATOM 1155 CD2 HIS A 73 -5.118 10.868 -10.408 1.00 30.23 C ATOM 1156 CE1 HIS A 73 -5.565 10.627 -12.537 1.00 12.10 C ATOM 1157 NE2 HIS A 73 -5.355 9.968 -11.416 1.00 1.04 N ATOM 0 H HIS A 73 -4.377 15.699 -9.416 1.00 75.25 H new ATOM 0 HA HIS A 73 -3.139 13.079 -9.356 1.00 62.02 H new ATOM 0 HB2 HIS A 73 -5.610 13.518 -9.420 1.00 32.15 H new ATOM 0 HB3 HIS A 73 -5.419 14.217 -11.016 1.00 32.15 H new ATOM 0 HD2 HIS A 73 -4.915 10.632 -9.374 1.00 30.23 H new ATOM 0 HE1 HIS A 73 -5.781 10.186 -13.499 1.00 12.10 H new ATOM 0 HE2 HIS A 73 -5.367 8.953 -11.314 1.00 1.04 H new ATOM 1166 N HIS A 74 -1.885 12.945 -11.485 1.00 42.55 N ATOM 1167 CA HIS A 74 -1.019 12.878 -12.658 1.00 61.23 C ATOM 1168 C HIS A 74 -1.866 12.705 -13.922 1.00 14.14 C ATOM 1169 O HIS A 74 -2.818 11.923 -13.923 1.00 73.22 O ATOM 1170 CB HIS A 74 -0.022 11.715 -12.504 1.00 14.42 C ATOM 1171 CG HIS A 74 1.150 11.771 -13.442 1.00 35.03 C ATOM 1172 ND1 HIS A 74 1.177 11.120 -14.654 1.00 22.13 N ATOM 1173 CD2 HIS A 74 2.347 12.387 -13.326 1.00 12.35 C ATOM 1174 CE1 HIS A 74 2.332 11.338 -15.244 1.00 54.13 C ATOM 1175 NE2 HIS A 74 3.058 12.103 -14.459 1.00 2.54 N ATOM 0 H HIS A 74 -1.809 12.136 -10.868 1.00 42.55 H new ATOM 0 HA HIS A 74 -0.456 13.807 -12.746 1.00 61.23 H new ATOM 0 HB2 HIS A 74 0.349 11.705 -11.479 1.00 14.42 H new ATOM 0 HB3 HIS A 74 -0.552 10.776 -12.661 1.00 14.42 H new ATOM 0 HD2 HIS A 74 2.680 12.990 -12.494 1.00 12.35 H new ATOM 0 HE1 HIS A 74 2.632 10.954 -16.208 1.00 54.13 H new ATOM 0 HE2 HIS A 74 4.002 12.432 -14.663 1.00 2.54 H new ATOM 1184 N HIS A 75 -1.519 13.453 -14.979 1.00 4.32 N ATOM 1185 CA HIS A 75 -2.250 13.405 -16.252 1.00 51.34 C ATOM 1186 C HIS A 75 -2.076 12.033 -16.899 1.00 25.13 C ATOM 1187 O HIS A 75 -0.971 11.655 -17.288 1.00 71.42 O ATOM 1188 CB HIS A 75 -1.769 14.494 -17.229 1.00 4.14 C ATOM 1189 CG HIS A 75 -1.981 15.913 -16.769 1.00 13.23 C ATOM 1190 ND1 HIS A 75 -3.101 16.651 -17.083 1.00 62.41 N ATOM 1191 CD2 HIS A 75 -1.192 16.739 -16.040 1.00 0.25 C ATOM 1192 CE1 HIS A 75 -2.989 17.861 -16.571 1.00 41.23 C ATOM 1193 NE2 HIS A 75 -1.841 17.940 -15.933 1.00 12.23 N ATOM 0 H HIS A 75 -0.732 14.102 -14.976 1.00 4.32 H new ATOM 0 HA HIS A 75 -3.303 13.586 -16.034 1.00 51.34 H new ATOM 0 HB2 HIS A 75 -0.706 14.346 -17.417 1.00 4.14 H new ATOM 0 HB3 HIS A 75 -2.283 14.358 -18.180 1.00 4.14 H new ATOM 0 HD2 HIS A 75 -0.227 16.495 -15.620 1.00 0.25 H new ATOM 0 HE1 HIS A 75 -3.717 18.654 -16.660 1.00 41.23 H new ATOM 0 HE2 HIS A 75 -1.492 18.761 -15.439 1.00 12.23 H new ATOM 1202 N HIS A 76 -3.175 11.295 -16.988 1.00 55.00 N ATOM 1203 CA HIS A 76 -3.145 9.920 -17.470 1.00 32.00 C ATOM 1204 C HIS A 76 -3.507 9.868 -18.955 1.00 24.52 C ATOM 1205 O HIS A 76 -3.567 10.900 -19.626 1.00 20.40 O ATOM 1206 CB HIS A 76 -4.108 9.063 -16.628 1.00 62.24 C ATOM 1207 CG HIS A 76 -3.905 7.581 -16.753 1.00 73.21 C ATOM 1208 ND1 HIS A 76 -3.116 6.858 -15.888 1.00 5.42 N ATOM 1209 CD2 HIS A 76 -4.397 6.688 -17.643 1.00 32.00 C ATOM 1210 CE1 HIS A 76 -3.130 5.589 -16.244 1.00 33.43 C ATOM 1211 NE2 HIS A 76 -3.901 5.456 -17.303 1.00 22.41 N ATOM 0 H HIS A 76 -4.104 11.628 -16.731 1.00 55.00 H new ATOM 0 HA HIS A 76 -2.138 9.517 -17.363 1.00 32.00 H new ATOM 0 HB2 HIS A 76 -4.000 9.343 -15.580 1.00 62.24 H new ATOM 0 HB3 HIS A 76 -5.132 9.301 -16.918 1.00 62.24 H new ATOM 0 HD2 HIS A 76 -5.058 6.906 -18.469 1.00 32.00 H new ATOM 0 HE1 HIS A 76 -2.597 4.791 -15.749 1.00 33.43 H new ATOM 0 HE2 HIS A 76 -4.097 4.581 -17.790 1.00 22.41 H new TER 1220 HIS A 76