USER MOD reduce.3.24.130724 H: found=0, std=0, add=980, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 979 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 46 LYS NZ :NH3+ -175:sc= 0.198 (180deg=0) USER MOD Set 1.2: A 48 GLN : amide:sc= -0.0989 K(o=0.099,f=-3) USER MOD Set 2.1: A 28 CYS SG : rot -170:sc= 0.144 USER MOD Set 2.2: A 90 THR OG1 : rot -20:sc= 0.553 USER MOD Set 3.1: A 14 MET CE :methyl 173:sc= -0.714 (180deg=-1.1) USER MOD Set 3.2: A 25 MET CE :methyl -165:sc= -0.0253 (180deg=-0.305) USER MOD Set 3.3: A 83 THR OG1 : rot 92:sc= 1.29 USER MOD Set 3.4: A 84 MET CE :methyl -127:sc= -0.126 (180deg=-2.14!) USER MOD Set 3.5: A 112 SER OG : rot 2:sc= -0.0148 USER MOD Set 4.1: A 17 HIS : no HE2:sc= 0.447 K(o=3,f=-3.3) USER MOD Set 4.2: A 21 THR OG1 : rot -70:sc= 1.29 USER MOD Set 4.3: A 23 LYS NZ :NH3+ 168:sc= 1.28 (180deg=0) USER MOD Set 5.1: A 6 THR OG1 : rot 141:sc= 1.17 USER MOD Set 5.2: A 123 ASN : amide:sc= 0.659 K(o=1.8,f=-1.3) USER MOD Single : A 8 SER OG : rot -150:sc= 0 USER MOD Single : A 10 ASN : amide:sc= 0.177 K(o=0.18,f=-2.8!) USER MOD Single : A 29 MET CE :methyl -162:sc= -0.126 (180deg=-0.69) USER MOD Single : A 35 MET CE :methyl 169:sc= -0.685 (180deg=-1.3) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0.813 K(o=0.81,f=-0.32) USER MOD Single : A 41 LYS NZ :NH3+ -178:sc= 0.754 (180deg=0.75) USER MOD Single : A 42 TYR OH : rot -3:sc= 0.427 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 9:sc= 1.42 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.0355 USER MOD Single : A 63 SER OG : rot 180:sc= 0.00442 USER MOD Single : A 64 LYS NZ :NH3+ -119:sc= 0.875 (180deg=-0.00858) USER MOD Single : A 69 SER OG : rot 180:sc= -0.151 USER MOD Single : A 72 THR OG1 : rot 84:sc= 1.22 USER MOD Single : A 73 LYS NZ :NH3+ -158:sc= 1.17 (180deg=0.896) USER MOD Single : A 75 ASN : amide:sc= 0.135 K(o=0.13,f=-4.9!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -0.137 K(o=-0.14,f=-1.5!) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HE2:sc= -0.0863 K(o=-0.086,f=-0.9) USER MOD Single : A 94 ASN : amide:sc= -0.356 X(o=-0.36,f=0) USER MOD Single : A 101 CYS SG : rot 160:sc= 0.39 USER MOD Single : A 102 MET CE :methyl -177:sc= -0.003 (180deg=-0.019) USER MOD Single : A 104 SER OG : rot 89:sc= 1.23 USER MOD Single : A 106 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00522) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 24:sc= 1.17 USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot 180:sc= -0.0464 USER MOD Single : A 122 TYR OH : rot -15:sc= -0.41 USER MOD Single : A 125 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 53 N GLY A 5 7.457 -9.394 5.451 1.00 64.31 N ATOM 54 CA GLY A 5 8.487 -8.448 5.075 1.00 54.22 C ATOM 55 C GLY A 5 8.248 -7.924 3.672 1.00 62.04 C ATOM 56 O GLY A 5 7.439 -7.022 3.466 1.00 2.51 O ATOM 0 HA2 GLY A 5 8.500 -7.618 5.781 1.00 54.22 H new ATOM 0 HA3 GLY A 5 9.465 -8.927 5.128 1.00 54.22 H new ATOM 60 N THR A 6 8.949 -8.484 2.706 1.00 63.03 N ATOM 61 CA THR A 6 8.987 -8.031 1.327 1.00 14.32 C ATOM 62 C THR A 6 8.786 -9.311 0.521 1.00 54.53 C ATOM 63 O THR A 6 9.457 -10.308 0.798 1.00 14.45 O ATOM 64 CB THR A 6 10.373 -7.399 1.105 1.00 2.14 C ATOM 65 OG1 THR A 6 10.659 -6.434 2.108 1.00 42.25 O ATOM 66 CG2 THR A 6 10.579 -6.723 -0.241 1.00 44.11 C ATOM 0 H THR A 6 9.534 -9.304 2.867 1.00 63.03 H new ATOM 0 HA THR A 6 8.241 -7.287 1.048 1.00 14.32 H new ATOM 0 HB THR A 6 11.048 -8.254 1.147 1.00 2.14 H new ATOM 0 HG1 THR A 6 11.602 -6.501 2.367 1.00 42.25 H new ATOM 0 HG21 THR A 6 11.587 -6.312 -0.291 1.00 44.11 H new ATOM 0 HG22 THR A 6 10.444 -7.453 -1.039 1.00 44.11 H new ATOM 0 HG23 THR A 6 9.853 -5.918 -0.359 1.00 44.11 H new ATOM 74 N VAL A 7 7.845 -9.322 -0.422 1.00 53.00 N ATOM 75 CA VAL A 7 7.414 -10.536 -1.116 1.00 61.22 C ATOM 76 C VAL A 7 7.174 -10.269 -2.606 1.00 1.15 C ATOM 77 O VAL A 7 7.388 -9.153 -3.075 1.00 22.03 O ATOM 78 CB VAL A 7 6.170 -11.122 -0.428 1.00 51.24 C ATOM 79 CG1 VAL A 7 6.415 -11.478 1.041 1.00 12.34 C ATOM 80 CG2 VAL A 7 4.941 -10.203 -0.498 1.00 75.43 C ATOM 0 H VAL A 7 7.356 -8.481 -0.729 1.00 53.00 H new ATOM 0 HA VAL A 7 8.212 -11.276 -1.056 1.00 61.22 H new ATOM 0 HB VAL A 7 5.965 -12.030 -0.995 1.00 51.24 H new ATOM 0 HG11 VAL A 7 5.502 -11.887 1.473 1.00 12.34 H new ATOM 0 HG12 VAL A 7 7.212 -12.219 1.108 1.00 12.34 H new ATOM 0 HG13 VAL A 7 6.706 -10.582 1.589 1.00 12.34 H new ATOM 0 HG21 VAL A 7 4.101 -10.680 0.007 1.00 75.43 H new ATOM 0 HG22 VAL A 7 5.167 -9.255 -0.010 1.00 75.43 H new ATOM 0 HG23 VAL A 7 4.681 -10.021 -1.541 1.00 75.43 H new ATOM 90 N SER A 8 6.711 -11.269 -3.355 1.00 74.31 N ATOM 91 CA SER A 8 6.171 -11.096 -4.695 1.00 70.42 C ATOM 92 C SER A 8 4.812 -11.765 -4.650 1.00 64.30 C ATOM 93 O SER A 8 4.683 -12.984 -4.826 1.00 40.23 O ATOM 94 CB SER A 8 7.115 -11.666 -5.757 1.00 31.13 C ATOM 95 OG SER A 8 6.539 -11.655 -7.048 1.00 25.24 O ATOM 0 H SER A 8 6.702 -12.238 -3.038 1.00 74.31 H new ATOM 0 HA SER A 8 6.069 -10.050 -4.983 1.00 70.42 H new ATOM 0 HB2 SER A 8 8.038 -11.086 -5.768 1.00 31.13 H new ATOM 0 HB3 SER A 8 7.384 -12.688 -5.490 1.00 31.13 H new ATOM 0 HG SER A 8 6.901 -12.398 -7.574 1.00 25.24 H new ATOM 101 N TRP A 9 3.806 -10.982 -4.288 1.00 23.01 N ATOM 102 CA TRP A 9 2.415 -11.313 -4.520 1.00 4.14 C ATOM 103 C TRP A 9 1.986 -10.601 -5.797 1.00 43.54 C ATOM 104 O TRP A 9 2.805 -10.004 -6.499 1.00 52.05 O ATOM 105 CB TRP A 9 1.607 -10.941 -3.265 1.00 72.01 C ATOM 106 CG TRP A 9 1.919 -11.758 -2.043 1.00 14.12 C ATOM 107 CD1 TRP A 9 2.563 -12.946 -2.046 1.00 4.42 C ATOM 108 CD2 TRP A 9 1.613 -11.482 -0.640 1.00 70.25 C ATOM 109 NE1 TRP A 9 2.707 -13.416 -0.760 1.00 31.32 N ATOM 110 CE2 TRP A 9 2.144 -12.549 0.150 1.00 0.33 C ATOM 111 CE3 TRP A 9 0.962 -10.435 0.050 1.00 40.12 C ATOM 112 CZ2 TRP A 9 2.054 -12.567 1.549 1.00 54.51 C ATOM 113 CZ3 TRP A 9 0.865 -10.446 1.453 1.00 24.34 C ATOM 114 CH2 TRP A 9 1.415 -11.501 2.200 1.00 13.50 C ATOM 0 H TRP A 9 3.939 -10.087 -3.818 1.00 23.01 H new ATOM 0 HA TRP A 9 2.241 -12.378 -4.677 1.00 4.14 H new ATOM 0 HB2 TRP A 9 1.784 -9.890 -3.036 1.00 72.01 H new ATOM 0 HB3 TRP A 9 0.546 -11.044 -3.491 1.00 72.01 H new ATOM 0 HD1 TRP A 9 2.915 -13.455 -2.931 1.00 4.42 H new ATOM 0 HE1 TRP A 9 3.170 -14.291 -0.514 1.00 31.32 H new ATOM 0 HE3 TRP A 9 0.533 -9.615 -0.507 1.00 40.12 H new ATOM 0 HZ2 TRP A 9 2.469 -13.387 2.116 1.00 54.51 H new ATOM 0 HZ3 TRP A 9 0.363 -9.636 1.961 1.00 24.34 H new ATOM 0 HH2 TRP A 9 1.346 -11.491 3.278 1.00 13.50 H new ATOM 125 N ASN A 10 0.708 -10.706 -6.126 1.00 52.23 N ATOM 126 CA ASN A 10 0.070 -9.939 -7.194 1.00 24.34 C ATOM 127 C ASN A 10 -1.129 -9.245 -6.585 1.00 34.12 C ATOM 128 O ASN A 10 -1.556 -9.613 -5.494 1.00 30.31 O ATOM 129 CB ASN A 10 -0.352 -10.839 -8.364 1.00 11.51 C ATOM 130 CG ASN A 10 -1.261 -11.968 -7.914 1.00 1.42 C ATOM 131 OD1 ASN A 10 -2.477 -11.820 -7.799 1.00 42.51 O ATOM 132 ND2 ASN A 10 -0.681 -13.112 -7.603 1.00 51.31 N ATOM 0 H ASN A 10 0.067 -11.341 -5.649 1.00 52.23 H new ATOM 0 HA ASN A 10 0.771 -9.214 -7.607 1.00 24.34 H new ATOM 0 HB2 ASN A 10 -0.864 -10.239 -9.116 1.00 11.51 H new ATOM 0 HB3 ASN A 10 0.536 -11.256 -8.839 1.00 11.51 H new ATOM 0 HD21 ASN A 10 -1.242 -13.892 -7.261 1.00 51.31 H new ATOM 0 HD22 ASN A 10 0.329 -13.216 -7.705 1.00 51.31 H new ATOM 139 N LEU A 11 -1.690 -8.275 -7.298 1.00 62.12 N ATOM 140 CA LEU A 11 -2.790 -7.430 -6.849 1.00 65.00 C ATOM 141 C LEU A 11 -3.932 -8.256 -6.256 1.00 72.00 C ATOM 142 O LEU A 11 -4.473 -7.884 -5.217 1.00 33.03 O ATOM 143 CB LEU A 11 -3.169 -6.534 -8.044 1.00 42.31 C ATOM 144 CG LEU A 11 -4.479 -5.720 -8.047 1.00 25.23 C ATOM 145 CD1 LEU A 11 -5.635 -6.494 -8.687 1.00 24.25 C ATOM 146 CD2 LEU A 11 -4.906 -5.115 -6.702 1.00 74.34 C ATOM 0 H LEU A 11 -1.378 -8.047 -8.242 1.00 62.12 H new ATOM 0 HA LEU A 11 -2.505 -6.786 -6.017 1.00 65.00 H new ATOM 0 HB2 LEU A 11 -2.353 -5.825 -8.182 1.00 42.31 H new ATOM 0 HB3 LEU A 11 -3.189 -7.172 -8.927 1.00 42.31 H new ATOM 0 HG LEU A 11 -4.231 -4.858 -8.667 1.00 25.23 H new ATOM 0 HD11 LEU A 11 -6.537 -5.883 -8.667 1.00 24.25 H new ATOM 0 HD12 LEU A 11 -5.383 -6.736 -9.719 1.00 24.25 H new ATOM 0 HD13 LEU A 11 -5.809 -7.415 -8.130 1.00 24.25 H new ATOM 0 HD21 LEU A 11 -5.839 -4.567 -6.830 1.00 74.34 H new ATOM 0 HD22 LEU A 11 -5.051 -5.913 -5.974 1.00 74.34 H new ATOM 0 HD23 LEU A 11 -4.132 -4.435 -6.347 1.00 74.34 H new ATOM 158 N ARG A 12 -4.283 -9.399 -6.853 1.00 1.33 N ATOM 159 CA ARG A 12 -5.372 -10.213 -6.342 1.00 52.25 C ATOM 160 C ARG A 12 -4.986 -10.880 -5.032 1.00 64.23 C ATOM 161 O ARG A 12 -5.784 -10.845 -4.101 1.00 35.45 O ATOM 162 CB ARG A 12 -5.760 -11.240 -7.407 1.00 64.44 C ATOM 163 CG ARG A 12 -7.270 -11.502 -7.390 1.00 62.24 C ATOM 164 CD ARG A 12 -7.704 -12.032 -8.753 1.00 21.04 C ATOM 165 NE ARG A 12 -7.190 -13.385 -9.014 1.00 43.11 N ATOM 166 CZ ARG A 12 -6.861 -13.896 -10.204 1.00 61.32 C ATOM 167 NH1 ARG A 12 -6.870 -13.139 -11.298 1.00 20.31 N ATOM 168 NH2 ARG A 12 -6.531 -15.174 -10.286 1.00 5.11 N ATOM 0 H ARG A 12 -3.827 -9.774 -7.685 1.00 1.33 H new ATOM 0 HA ARG A 12 -6.234 -9.581 -6.128 1.00 52.25 H new ATOM 0 HB2 ARG A 12 -5.460 -10.880 -8.391 1.00 64.44 H new ATOM 0 HB3 ARG A 12 -5.223 -12.172 -7.232 1.00 64.44 H new ATOM 0 HG2 ARG A 12 -7.517 -12.223 -6.611 1.00 62.24 H new ATOM 0 HG3 ARG A 12 -7.808 -10.583 -7.156 1.00 62.24 H new ATOM 0 HD2 ARG A 12 -8.793 -12.042 -8.807 1.00 21.04 H new ATOM 0 HD3 ARG A 12 -7.353 -11.356 -9.532 1.00 21.04 H new ATOM 0 HE ARG A 12 -7.073 -13.995 -8.205 1.00 43.11 H new ATOM 0 HH11 ARG A 12 -7.130 -12.155 -11.235 1.00 20.31 H new ATOM 0 HH12 ARG A 12 -6.616 -13.543 -12.200 1.00 20.31 H new ATOM 0 HH21 ARG A 12 -6.530 -15.755 -9.448 1.00 5.11 H new ATOM 0 HH22 ARG A 12 -6.278 -15.578 -11.187 1.00 5.11 H new ATOM 182 N GLU A 13 -3.781 -11.452 -4.969 1.00 11.01 N ATOM 183 CA GLU A 13 -3.240 -12.038 -3.748 1.00 32.35 C ATOM 184 C GLU A 13 -3.206 -10.998 -2.633 1.00 12.24 C ATOM 185 O GLU A 13 -3.753 -11.241 -1.563 1.00 1.43 O ATOM 186 CB GLU A 13 -1.852 -12.673 -3.960 1.00 31.22 C ATOM 187 CG GLU A 13 -1.909 -14.204 -4.069 1.00 10.23 C ATOM 188 CD GLU A 13 -2.431 -14.876 -2.788 1.00 32.12 C ATOM 189 OE1 GLU A 13 -1.850 -14.675 -1.704 1.00 24.55 O ATOM 190 OE2 GLU A 13 -3.479 -15.566 -2.844 1.00 51.33 O ATOM 0 H GLU A 13 -3.153 -11.520 -5.770 1.00 11.01 H new ATOM 0 HA GLU A 13 -3.906 -12.849 -3.454 1.00 32.35 H new ATOM 0 HB2 GLU A 13 -1.405 -12.265 -4.867 1.00 31.22 H new ATOM 0 HB3 GLU A 13 -1.200 -12.396 -3.131 1.00 31.22 H new ATOM 0 HG2 GLU A 13 -2.551 -14.480 -4.906 1.00 10.23 H new ATOM 0 HG3 GLU A 13 -0.912 -14.585 -4.293 1.00 10.23 H new ATOM 197 N MET A 14 -2.601 -9.835 -2.886 1.00 21.32 N ATOM 198 CA MET A 14 -2.437 -8.778 -1.897 1.00 3.33 C ATOM 199 C MET A 14 -3.800 -8.326 -1.367 1.00 44.21 C ATOM 200 O MET A 14 -3.955 -8.149 -0.158 1.00 53.30 O ATOM 201 CB MET A 14 -1.668 -7.584 -2.490 1.00 41.54 C ATOM 202 CG MET A 14 -0.258 -7.915 -2.985 1.00 75.35 C ATOM 203 SD MET A 14 0.576 -6.630 -3.951 1.00 22.54 S ATOM 204 CE MET A 14 1.197 -5.618 -2.584 1.00 4.13 C ATOM 0 H MET A 14 -2.207 -9.602 -3.798 1.00 21.32 H new ATOM 0 HA MET A 14 -1.855 -9.178 -1.067 1.00 3.33 H new ATOM 0 HB2 MET A 14 -2.243 -7.175 -3.320 1.00 41.54 H new ATOM 0 HB3 MET A 14 -1.599 -6.802 -1.734 1.00 41.54 H new ATOM 0 HG2 MET A 14 0.362 -8.149 -2.120 1.00 75.35 H new ATOM 0 HG3 MET A 14 -0.312 -8.819 -3.592 1.00 75.35 H new ATOM 0 HE1 MET A 14 1.849 -4.837 -2.976 1.00 4.13 H new ATOM 0 HE2 MET A 14 0.358 -5.161 -2.059 1.00 4.13 H new ATOM 0 HE3 MET A 14 1.759 -6.246 -1.892 1.00 4.13 H new ATOM 214 N LEU A 15 -4.782 -8.148 -2.261 1.00 51.52 N ATOM 215 CA LEU A 15 -6.125 -7.741 -1.882 1.00 14.20 C ATOM 216 C LEU A 15 -6.755 -8.806 -0.987 1.00 44.04 C ATOM 217 O LEU A 15 -7.196 -8.496 0.121 1.00 62.34 O ATOM 218 CB LEU A 15 -6.999 -7.471 -3.120 1.00 43.34 C ATOM 219 CG LEU A 15 -8.387 -6.904 -2.733 1.00 54.32 C ATOM 220 CD1 LEU A 15 -8.446 -5.392 -2.973 1.00 50.31 C ATOM 221 CD2 LEU A 15 -9.507 -7.588 -3.519 1.00 72.41 C ATOM 0 H LEU A 15 -4.659 -8.284 -3.264 1.00 51.52 H new ATOM 0 HA LEU A 15 -6.059 -6.807 -1.324 1.00 14.20 H new ATOM 0 HB2 LEU A 15 -6.490 -6.767 -3.778 1.00 43.34 H new ATOM 0 HB3 LEU A 15 -7.128 -8.396 -3.682 1.00 43.34 H new ATOM 0 HG LEU A 15 -8.532 -7.104 -1.671 1.00 54.32 H new ATOM 0 HD11 LEU A 15 -9.431 -5.017 -2.694 1.00 50.31 H new ATOM 0 HD12 LEU A 15 -7.685 -4.898 -2.369 1.00 50.31 H new ATOM 0 HD13 LEU A 15 -8.264 -5.184 -4.027 1.00 50.31 H new ATOM 0 HD21 LEU A 15 -10.468 -7.167 -3.224 1.00 72.41 H new ATOM 0 HD22 LEU A 15 -9.353 -7.428 -4.586 1.00 72.41 H new ATOM 0 HD23 LEU A 15 -9.499 -8.657 -3.308 1.00 72.41 H new ATOM 233 N ALA A 16 -6.828 -10.037 -1.499 1.00 12.11 N ATOM 234 CA ALA A 16 -7.512 -11.154 -0.867 1.00 14.50 C ATOM 235 C ALA A 16 -6.870 -11.488 0.476 1.00 70.32 C ATOM 236 O ALA A 16 -7.580 -11.868 1.407 1.00 62.12 O ATOM 237 CB ALA A 16 -7.423 -12.365 -1.796 1.00 44.41 C ATOM 0 H ALA A 16 -6.399 -10.285 -2.390 1.00 12.11 H new ATOM 0 HA ALA A 16 -8.554 -10.887 -0.689 1.00 14.50 H new ATOM 0 HB1 ALA A 16 -7.931 -13.213 -1.338 1.00 44.41 H new ATOM 0 HB2 ALA A 16 -7.898 -12.129 -2.748 1.00 44.41 H new ATOM 0 HB3 ALA A 16 -6.376 -12.618 -1.965 1.00 44.41 H new ATOM 243 N HIS A 17 -5.547 -11.343 0.592 1.00 41.51 N ATOM 244 CA HIS A 17 -4.837 -11.643 1.818 1.00 50.41 C ATOM 245 C HIS A 17 -5.387 -10.795 2.962 1.00 72.12 C ATOM 246 O HIS A 17 -5.696 -11.326 4.025 1.00 1.03 O ATOM 247 CB HIS A 17 -3.322 -11.458 1.656 1.00 21.12 C ATOM 248 CG HIS A 17 -2.586 -11.828 2.919 1.00 14.05 C ATOM 249 ND1 HIS A 17 -2.690 -13.035 3.568 1.00 42.22 N ATOM 250 CD2 HIS A 17 -1.783 -11.014 3.671 1.00 33.44 C ATOM 251 CE1 HIS A 17 -1.968 -12.958 4.692 1.00 2.21 C ATOM 252 NE2 HIS A 17 -1.385 -11.745 4.807 1.00 61.03 N ATOM 0 H HIS A 17 -4.948 -11.014 -0.165 1.00 41.51 H new ATOM 0 HA HIS A 17 -4.999 -12.694 2.059 1.00 50.41 H new ATOM 0 HB2 HIS A 17 -2.965 -12.074 0.831 1.00 21.12 H new ATOM 0 HB3 HIS A 17 -3.106 -10.422 1.397 1.00 21.12 H new ATOM 0 HD1 HIS A 17 -3.222 -13.845 3.250 1.00 42.22 H new ATOM 0 HD2 HIS A 17 -1.505 -9.997 3.436 1.00 33.44 H new ATOM 0 HE1 HIS A 17 -1.865 -13.758 5.410 1.00 2.21 H new ATOM 260 N ALA A 18 -5.534 -9.487 2.759 1.00 43.02 N ATOM 261 CA ALA A 18 -6.037 -8.563 3.769 1.00 14.13 C ATOM 262 C ALA A 18 -7.583 -8.518 3.810 1.00 43.22 C ATOM 263 O ALA A 18 -8.143 -7.923 4.728 1.00 35.03 O ATOM 264 CB ALA A 18 -5.408 -7.198 3.478 1.00 32.23 C ATOM 0 H ALA A 18 -5.303 -9.034 1.875 1.00 43.02 H new ATOM 0 HA ALA A 18 -5.753 -8.898 4.767 1.00 14.13 H new ATOM 0 HB1 ALA A 18 -5.758 -6.472 4.212 1.00 32.23 H new ATOM 0 HB2 ALA A 18 -4.322 -7.278 3.535 1.00 32.23 H new ATOM 0 HB3 ALA A 18 -5.695 -6.871 2.479 1.00 32.23 H new ATOM 270 N GLU A 19 -8.308 -9.153 2.878 1.00 65.01 N ATOM 271 CA GLU A 19 -9.705 -9.498 3.121 1.00 5.14 C ATOM 272 C GLU A 19 -9.736 -10.562 4.218 1.00 62.14 C ATOM 273 O GLU A 19 -10.424 -10.392 5.224 1.00 61.11 O ATOM 274 CB GLU A 19 -10.414 -9.968 1.834 1.00 33.11 C ATOM 275 CG GLU A 19 -10.969 -8.793 1.016 1.00 31.34 C ATOM 276 CD GLU A 19 -12.284 -9.081 0.281 1.00 75.32 C ATOM 277 OE1 GLU A 19 -12.365 -9.924 -0.634 1.00 43.41 O ATOM 278 OE2 GLU A 19 -13.252 -8.310 0.526 1.00 73.01 O ATOM 0 H GLU A 19 -7.952 -9.432 1.964 1.00 65.01 H new ATOM 0 HA GLU A 19 -10.256 -8.616 3.448 1.00 5.14 H new ATOM 0 HB2 GLU A 19 -9.713 -10.536 1.222 1.00 33.11 H new ATOM 0 HB3 GLU A 19 -11.229 -10.643 2.096 1.00 33.11 H new ATOM 0 HG2 GLU A 19 -11.121 -7.945 1.683 1.00 31.34 H new ATOM 0 HG3 GLU A 19 -10.219 -8.493 0.284 1.00 31.34 H new ATOM 285 N GLU A 20 -8.951 -11.628 4.050 1.00 34.41 N ATOM 286 CA GLU A 20 -8.936 -12.777 4.948 1.00 12.53 C ATOM 287 C GLU A 20 -8.264 -12.465 6.293 1.00 61.52 C ATOM 288 O GLU A 20 -8.578 -13.083 7.314 1.00 72.34 O ATOM 289 CB GLU A 20 -8.186 -13.904 4.224 1.00 54.42 C ATOM 290 CG GLU A 20 -8.276 -15.258 4.934 1.00 55.33 C ATOM 291 CD GLU A 20 -9.729 -15.724 5.054 1.00 20.24 C ATOM 292 OE1 GLU A 20 -10.409 -15.851 4.007 1.00 64.34 O ATOM 293 OE2 GLU A 20 -10.208 -15.911 6.200 1.00 72.23 O ATOM 0 H GLU A 20 -8.298 -11.715 3.272 1.00 34.41 H new ATOM 0 HA GLU A 20 -9.960 -13.064 5.185 1.00 12.53 H new ATOM 0 HB2 GLU A 20 -8.586 -14.005 3.215 1.00 54.42 H new ATOM 0 HB3 GLU A 20 -7.137 -13.625 4.124 1.00 54.42 H new ATOM 0 HG2 GLU A 20 -7.698 -16.000 4.383 1.00 55.33 H new ATOM 0 HG3 GLU A 20 -7.833 -15.181 5.927 1.00 55.33 H new ATOM 300 N THR A 21 -7.323 -11.521 6.306 1.00 45.32 N ATOM 301 CA THR A 21 -6.518 -11.184 7.470 1.00 62.44 C ATOM 302 C THR A 21 -6.771 -9.751 7.903 1.00 53.22 C ATOM 303 O THR A 21 -7.570 -9.029 7.311 1.00 4.04 O ATOM 304 CB THR A 21 -5.033 -11.533 7.263 1.00 44.41 C ATOM 305 OG1 THR A 21 -4.442 -10.757 6.251 1.00 72.41 O ATOM 306 CG2 THR A 21 -4.805 -12.999 6.909 1.00 0.24 C ATOM 0 H THR A 21 -7.097 -10.959 5.486 1.00 45.32 H new ATOM 0 HA THR A 21 -6.833 -11.809 8.306 1.00 62.44 H new ATOM 0 HB THR A 21 -4.568 -11.318 8.225 1.00 44.41 H new ATOM 0 HG1 THR A 21 -4.807 -11.022 5.381 1.00 72.41 H new ATOM 0 HG21 THR A 21 -3.738 -13.180 6.776 1.00 0.24 H new ATOM 0 HG22 THR A 21 -5.183 -13.630 7.713 1.00 0.24 H new ATOM 0 HG23 THR A 21 -5.331 -13.236 5.984 1.00 0.24 H new ATOM 314 N ARG A 22 -6.121 -9.331 8.983 1.00 24.40 N ATOM 315 CA ARG A 22 -6.375 -8.044 9.611 1.00 0.24 C ATOM 316 C ARG A 22 -5.170 -7.169 9.339 1.00 2.41 C ATOM 317 O ARG A 22 -4.435 -6.802 10.259 1.00 12.24 O ATOM 318 CB ARG A 22 -6.741 -8.197 11.100 1.00 40.12 C ATOM 319 CG ARG A 22 -7.750 -9.316 11.417 1.00 12.31 C ATOM 320 CD ARG A 22 -9.014 -9.309 10.553 1.00 34.31 C ATOM 321 NE ARG A 22 -10.178 -9.764 11.322 1.00 33.11 N ATOM 322 CZ ARG A 22 -11.423 -9.339 11.089 1.00 71.32 C ATOM 323 NH1 ARG A 22 -11.773 -8.845 9.908 1.00 54.00 N ATOM 324 NH2 ARG A 22 -12.333 -9.397 12.044 1.00 35.41 N ATOM 0 H ARG A 22 -5.398 -9.880 9.449 1.00 24.40 H new ATOM 0 HA ARG A 22 -7.253 -7.558 9.186 1.00 0.24 H new ATOM 0 HB2 ARG A 22 -5.827 -8.383 11.665 1.00 40.12 H new ATOM 0 HB3 ARG A 22 -7.149 -7.251 11.456 1.00 40.12 H new ATOM 0 HG2 ARG A 22 -7.252 -10.278 11.299 1.00 12.31 H new ATOM 0 HG3 ARG A 22 -8.043 -9.235 12.464 1.00 12.31 H new ATOM 0 HD2 ARG A 22 -9.194 -8.303 10.174 1.00 34.31 H new ATOM 0 HD3 ARG A 22 -8.871 -9.955 9.687 1.00 34.31 H new ATOM 0 HE ARG A 22 -10.029 -10.439 12.072 1.00 33.11 H new ATOM 0 HH11 ARG A 22 -11.086 -8.784 9.157 1.00 54.00 H new ATOM 0 HH12 ARG A 22 -12.729 -8.526 9.752 1.00 54.00 H new ATOM 0 HH21 ARG A 22 -12.086 -9.767 12.962 1.00 35.41 H new ATOM 0 HH22 ARG A 22 -13.283 -9.072 11.864 1.00 35.41 H new ATOM 338 N LYS A 23 -4.896 -6.922 8.061 1.00 23.43 N ATOM 339 CA LYS A 23 -3.918 -5.921 7.662 1.00 75.33 C ATOM 340 C LYS A 23 -4.676 -4.764 7.028 1.00 60.11 C ATOM 341 O LYS A 23 -5.651 -4.999 6.316 1.00 25.20 O ATOM 342 CB LYS A 23 -2.883 -6.514 6.698 1.00 31.52 C ATOM 343 CG LYS A 23 -1.854 -7.432 7.387 1.00 63.34 C ATOM 344 CD LYS A 23 -2.223 -8.919 7.324 1.00 42.42 C ATOM 345 CE LYS A 23 -1.163 -9.762 8.045 1.00 53.22 C ATOM 346 NZ LYS A 23 -1.251 -11.202 7.730 1.00 30.23 N ATOM 0 H LYS A 23 -5.342 -7.406 7.282 1.00 23.43 H new ATOM 0 HA LYS A 23 -3.361 -5.568 8.530 1.00 75.33 H new ATOM 0 HB2 LYS A 23 -3.402 -7.080 5.924 1.00 31.52 H new ATOM 0 HB3 LYS A 23 -2.356 -5.701 6.199 1.00 31.52 H new ATOM 0 HG2 LYS A 23 -0.880 -7.287 6.920 1.00 63.34 H new ATOM 0 HG3 LYS A 23 -1.755 -7.134 8.431 1.00 63.34 H new ATOM 0 HD2 LYS A 23 -3.198 -9.078 7.784 1.00 42.42 H new ATOM 0 HD3 LYS A 23 -2.305 -9.237 6.285 1.00 42.42 H new ATOM 0 HE2 LYS A 23 -0.172 -9.397 7.774 1.00 53.22 H new ATOM 0 HE3 LYS A 23 -1.270 -9.625 9.121 1.00 53.22 H new ATOM 0 HZ1 LYS A 23 -0.399 -11.686 8.077 1.00 30.23 H new ATOM 0 HZ2 LYS A 23 -2.091 -11.607 8.190 1.00 30.23 H new ATOM 0 HZ3 LYS A 23 -1.325 -11.328 6.700 1.00 30.23 H new ATOM 360 N LEU A 24 -4.215 -3.534 7.250 1.00 51.15 N ATOM 361 CA LEU A 24 -4.707 -2.384 6.497 1.00 23.33 C ATOM 362 C LEU A 24 -4.263 -2.565 5.046 1.00 30.43 C ATOM 363 O LEU A 24 -3.169 -3.086 4.794 1.00 71.33 O ATOM 364 CB LEU A 24 -4.079 -1.096 7.046 1.00 3.01 C ATOM 365 CG LEU A 24 -4.755 0.222 6.610 1.00 51.13 C ATOM 366 CD1 LEU A 24 -5.736 0.723 7.668 1.00 23.10 C ATOM 367 CD2 LEU A 24 -3.717 1.335 6.430 1.00 71.02 C ATOM 0 H LEU A 24 -3.502 -3.310 7.944 1.00 51.15 H new ATOM 0 HA LEU A 24 -5.792 -2.314 6.577 1.00 23.33 H new ATOM 0 HB2 LEU A 24 -4.090 -1.145 8.135 1.00 3.01 H new ATOM 0 HB3 LEU A 24 -3.034 -1.065 6.739 1.00 3.01 H new ATOM 0 HG LEU A 24 -5.271 0.003 5.675 1.00 51.13 H new ATOM 0 HD11 LEU A 24 -6.194 1.652 7.329 1.00 23.10 H new ATOM 0 HD12 LEU A 24 -6.511 -0.026 7.829 1.00 23.10 H new ATOM 0 HD13 LEU A 24 -5.204 0.901 8.603 1.00 23.10 H new ATOM 0 HD21 LEU A 24 -4.218 2.253 6.123 1.00 71.02 H new ATOM 0 HD22 LEU A 24 -3.197 1.503 7.373 1.00 71.02 H new ATOM 0 HD23 LEU A 24 -2.997 1.041 5.666 1.00 71.02 H new ATOM 379 N MET A 25 -5.028 -2.014 4.110 1.00 61.12 N ATOM 380 CA MET A 25 -4.648 -1.932 2.711 1.00 4.43 C ATOM 381 C MET A 25 -4.612 -0.445 2.322 1.00 55.22 C ATOM 382 O MET A 25 -5.599 0.084 1.805 1.00 3.23 O ATOM 383 CB MET A 25 -5.613 -2.802 1.903 1.00 21.02 C ATOM 384 CG MET A 25 -5.209 -2.939 0.435 1.00 12.24 C ATOM 385 SD MET A 25 -4.534 -4.557 -0.013 1.00 1.20 S ATOM 386 CE MET A 25 -4.624 -4.385 -1.813 1.00 73.32 C ATOM 0 H MET A 25 -5.942 -1.607 4.308 1.00 61.12 H new ATOM 0 HA MET A 25 -3.653 -2.324 2.502 1.00 4.43 H new ATOM 0 HB2 MET A 25 -5.664 -3.793 2.354 1.00 21.02 H new ATOM 0 HB3 MET A 25 -6.614 -2.374 1.960 1.00 21.02 H new ATOM 0 HG2 MET A 25 -6.080 -2.738 -0.188 1.00 12.24 H new ATOM 0 HG3 MET A 25 -4.468 -2.174 0.203 1.00 12.24 H new ATOM 0 HE1 MET A 25 -4.506 -5.364 -2.278 1.00 73.32 H new ATOM 0 HE2 MET A 25 -5.591 -3.965 -2.090 1.00 73.32 H new ATOM 0 HE3 MET A 25 -3.829 -3.722 -2.155 1.00 73.32 H new ATOM 396 N PRO A 26 -3.513 0.275 2.614 1.00 61.31 N ATOM 397 CA PRO A 26 -3.340 1.648 2.158 1.00 22.01 C ATOM 398 C PRO A 26 -3.063 1.638 0.652 1.00 44.23 C ATOM 399 O PRO A 26 -2.265 0.818 0.187 1.00 50.40 O ATOM 400 CB PRO A 26 -2.161 2.184 2.960 1.00 54.34 C ATOM 401 CG PRO A 26 -1.309 0.955 3.265 1.00 35.21 C ATOM 402 CD PRO A 26 -2.303 -0.210 3.267 1.00 51.43 C ATOM 0 HA PRO A 26 -4.218 2.275 2.309 1.00 22.01 H new ATOM 0 HB2 PRO A 26 -1.599 2.924 2.391 1.00 54.34 H new ATOM 0 HB3 PRO A 26 -2.494 2.672 3.876 1.00 54.34 H new ATOM 0 HG2 PRO A 26 -0.533 0.813 2.513 1.00 35.21 H new ATOM 0 HG3 PRO A 26 -0.806 1.049 4.228 1.00 35.21 H new ATOM 0 HD2 PRO A 26 -1.894 -1.070 2.736 1.00 51.43 H new ATOM 0 HD3 PRO A 26 -2.516 -0.536 4.285 1.00 51.43 H new ATOM 410 N ILE A 27 -3.711 2.522 -0.104 1.00 54.42 N ATOM 411 CA ILE A 27 -3.725 2.536 -1.568 1.00 62.24 C ATOM 412 C ILE A 27 -3.651 4.010 -1.976 1.00 1.43 C ATOM 413 O ILE A 27 -4.269 4.854 -1.334 1.00 32.13 O ATOM 414 CB ILE A 27 -5.028 1.854 -2.058 1.00 41.02 C ATOM 415 CG1 ILE A 27 -4.949 0.322 -1.853 1.00 51.21 C ATOM 416 CG2 ILE A 27 -5.346 2.163 -3.536 1.00 62.54 C ATOM 417 CD1 ILE A 27 -6.330 -0.320 -1.791 1.00 34.13 C ATOM 0 H ILE A 27 -4.263 3.278 0.301 1.00 54.42 H new ATOM 0 HA ILE A 27 -2.892 1.990 -2.012 1.00 62.24 H new ATOM 0 HB ILE A 27 -5.838 2.267 -1.456 1.00 41.02 H new ATOM 0 HG12 ILE A 27 -4.379 -0.123 -2.668 1.00 51.21 H new ATOM 0 HG13 ILE A 27 -4.408 0.107 -0.931 1.00 51.21 H new ATOM 0 HG21 ILE A 27 -6.269 1.659 -3.823 1.00 62.54 H new ATOM 0 HG22 ILE A 27 -5.465 3.239 -3.665 1.00 62.54 H new ATOM 0 HG23 ILE A 27 -4.529 1.810 -4.165 1.00 62.54 H new ATOM 0 HD11 ILE A 27 -6.225 -1.395 -1.646 1.00 34.13 H new ATOM 0 HD12 ILE A 27 -6.892 0.105 -0.959 1.00 34.13 H new ATOM 0 HD13 ILE A 27 -6.862 -0.130 -2.723 1.00 34.13 H new ATOM 429 N CYS A 28 -2.893 4.379 -3.010 1.00 10.42 N ATOM 430 CA CYS A 28 -2.944 5.744 -3.524 1.00 35.54 C ATOM 431 C CYS A 28 -4.147 5.860 -4.460 1.00 41.24 C ATOM 432 O CYS A 28 -4.408 4.957 -5.254 1.00 51.13 O ATOM 433 CB CYS A 28 -1.640 6.086 -4.244 1.00 73.35 C ATOM 434 SG CYS A 28 -1.599 7.867 -4.584 1.00 31.24 S ATOM 0 H CYS A 28 -2.247 3.761 -3.500 1.00 10.42 H new ATOM 0 HA CYS A 28 -3.057 6.455 -2.706 1.00 35.54 H new ATOM 0 HB2 CYS A 28 -0.786 5.801 -3.630 1.00 73.35 H new ATOM 0 HB3 CYS A 28 -1.566 5.524 -5.175 1.00 73.35 H new ATOM 0 HG CYS A 28 -0.602 8.135 -5.374 1.00 31.24 H new ATOM 440 N MET A 29 -4.841 6.999 -4.419 1.00 75.25 N ATOM 441 CA MET A 29 -5.936 7.304 -5.334 1.00 24.43 C ATOM 442 C MET A 29 -5.430 7.350 -6.788 1.00 11.44 C ATOM 443 O MET A 29 -6.196 7.088 -7.714 1.00 43.20 O ATOM 444 CB MET A 29 -6.558 8.639 -4.892 1.00 71.42 C ATOM 445 CG MET A 29 -7.982 8.864 -5.395 1.00 54.24 C ATOM 446 SD MET A 29 -8.759 10.387 -4.776 1.00 62.02 S ATOM 447 CE MET A 29 -8.749 10.086 -2.985 1.00 35.22 C ATOM 0 H MET A 29 -4.655 7.740 -3.743 1.00 75.25 H new ATOM 0 HA MET A 29 -6.698 6.525 -5.301 1.00 24.43 H new ATOM 0 HB2 MET A 29 -6.558 8.684 -3.803 1.00 71.42 H new ATOM 0 HB3 MET A 29 -5.927 9.455 -5.244 1.00 71.42 H new ATOM 0 HG2 MET A 29 -7.970 8.892 -6.485 1.00 54.24 H new ATOM 0 HG3 MET A 29 -8.597 8.012 -5.105 1.00 54.24 H new ATOM 0 HE1 MET A 29 -9.459 10.755 -2.500 1.00 35.22 H new ATOM 0 HE2 MET A 29 -9.032 9.052 -2.788 1.00 35.22 H new ATOM 0 HE3 MET A 29 -7.750 10.270 -2.591 1.00 35.22 H new ATOM 457 N ASP A 30 -4.143 7.658 -6.982 1.00 72.33 N ATOM 458 CA ASP A 30 -3.477 7.941 -8.258 1.00 35.14 C ATOM 459 C ASP A 30 -3.031 6.674 -9.014 1.00 10.43 C ATOM 460 O ASP A 30 -2.104 6.719 -9.823 1.00 2.10 O ATOM 461 CB ASP A 30 -2.303 8.908 -7.987 1.00 31.14 C ATOM 462 CG ASP A 30 -1.641 9.416 -9.268 1.00 21.24 C ATOM 463 OD1 ASP A 30 -2.384 9.740 -10.222 1.00 50.50 O ATOM 464 OD2 ASP A 30 -0.400 9.572 -9.293 1.00 55.13 O ATOM 0 H ASP A 30 -3.494 7.720 -6.197 1.00 72.33 H new ATOM 0 HA ASP A 30 -4.196 8.411 -8.928 1.00 35.14 H new ATOM 0 HB2 ASP A 30 -2.666 9.759 -7.410 1.00 31.14 H new ATOM 0 HB3 ASP A 30 -1.557 8.402 -7.375 1.00 31.14 H new ATOM 469 N VAL A 31 -3.640 5.511 -8.753 1.00 4.20 N ATOM 470 CA VAL A 31 -3.178 4.237 -9.312 1.00 11.52 C ATOM 471 C VAL A 31 -4.359 3.454 -9.892 1.00 34.34 C ATOM 472 O VAL A 31 -4.992 2.667 -9.184 1.00 53.23 O ATOM 473 CB VAL A 31 -2.357 3.473 -8.244 1.00 65.23 C ATOM 474 CG1 VAL A 31 -1.770 2.167 -8.788 1.00 45.40 C ATOM 475 CG2 VAL A 31 -1.157 4.291 -7.734 1.00 11.24 C ATOM 0 H VAL A 31 -4.461 5.427 -8.153 1.00 4.20 H new ATOM 0 HA VAL A 31 -2.503 4.402 -10.152 1.00 11.52 H new ATOM 0 HB VAL A 31 -3.069 3.279 -7.441 1.00 65.23 H new ATOM 0 HG11 VAL A 31 -1.203 1.668 -8.002 1.00 45.40 H new ATOM 0 HG12 VAL A 31 -2.578 1.516 -9.122 1.00 45.40 H new ATOM 0 HG13 VAL A 31 -1.110 2.386 -9.628 1.00 45.40 H new ATOM 0 HG21 VAL A 31 -0.613 3.712 -6.987 1.00 11.24 H new ATOM 0 HG22 VAL A 31 -0.494 4.522 -8.567 1.00 11.24 H new ATOM 0 HG23 VAL A 31 -1.513 5.219 -7.286 1.00 11.24 H new ATOM 485 N ARG A 32 -4.687 3.643 -11.181 1.00 13.22 N ATOM 486 CA ARG A 32 -5.792 2.906 -11.821 1.00 30.32 C ATOM 487 C ARG A 32 -5.583 1.394 -11.837 1.00 2.43 C ATOM 488 O ARG A 32 -6.583 0.670 -11.850 1.00 11.22 O ATOM 489 CB ARG A 32 -6.107 3.385 -13.247 1.00 43.45 C ATOM 490 CG ARG A 32 -6.367 4.886 -13.428 1.00 52.12 C ATOM 491 CD ARG A 32 -7.223 5.559 -12.347 1.00 33.33 C ATOM 492 NE ARG A 32 -8.663 5.269 -12.472 1.00 5.31 N ATOM 493 CZ ARG A 32 -9.627 6.004 -11.901 1.00 43.50 C ATOM 494 NH1 ARG A 32 -9.327 6.978 -11.043 1.00 55.23 N ATOM 495 NH2 ARG A 32 -10.898 5.763 -12.181 1.00 4.51 N ATOM 0 H ARG A 32 -4.206 4.297 -11.799 1.00 13.22 H new ATOM 0 HA ARG A 32 -6.649 3.131 -11.187 1.00 30.32 H new ATOM 0 HB2 ARG A 32 -5.275 3.104 -13.892 1.00 43.45 H new ATOM 0 HB3 ARG A 32 -6.983 2.843 -13.602 1.00 43.45 H new ATOM 0 HG2 ARG A 32 -5.406 5.398 -13.472 1.00 52.12 H new ATOM 0 HG3 ARG A 32 -6.852 5.036 -14.392 1.00 52.12 H new ATOM 0 HD2 ARG A 32 -6.878 5.232 -11.366 1.00 33.33 H new ATOM 0 HD3 ARG A 32 -7.072 6.637 -12.395 1.00 33.33 H new ATOM 0 HE ARG A 32 -8.942 4.460 -13.027 1.00 5.31 H new ATOM 0 HH11 ARG A 32 -8.353 7.173 -10.813 1.00 55.23 H new ATOM 0 HH12 ARG A 32 -10.072 7.529 -10.616 1.00 55.23 H new ATOM 0 HH21 ARG A 32 -11.144 5.017 -12.832 1.00 4.51 H new ATOM 0 HH22 ARG A 32 -11.631 6.323 -11.746 1.00 4.51 H new ATOM 509 N ALA A 33 -4.341 0.904 -11.770 1.00 62.44 N ATOM 510 CA ALA A 33 -4.060 -0.527 -11.665 1.00 32.42 C ATOM 511 C ALA A 33 -4.734 -1.159 -10.442 1.00 11.20 C ATOM 512 O ALA A 33 -5.040 -2.355 -10.451 1.00 1.40 O ATOM 513 CB ALA A 33 -2.551 -0.760 -11.585 1.00 10.30 C ATOM 0 H ALA A 33 -3.505 1.489 -11.787 1.00 62.44 H new ATOM 0 HA ALA A 33 -4.467 -1.002 -12.558 1.00 32.42 H new ATOM 0 HB1 ALA A 33 -2.351 -1.829 -11.507 1.00 10.30 H new ATOM 0 HB2 ALA A 33 -2.074 -0.366 -12.483 1.00 10.30 H new ATOM 0 HB3 ALA A 33 -2.150 -0.251 -10.708 1.00 10.30 H new ATOM 519 N ILE A 34 -4.986 -0.356 -9.407 1.00 12.24 N ATOM 520 CA ILE A 34 -5.521 -0.785 -8.129 1.00 23.15 C ATOM 521 C ILE A 34 -6.923 -0.194 -7.999 1.00 71.52 C ATOM 522 O ILE A 34 -7.889 -0.952 -7.954 1.00 33.31 O ATOM 523 CB ILE A 34 -4.542 -0.375 -7.002 1.00 61.04 C ATOM 524 CG1 ILE A 34 -3.093 -0.853 -7.261 1.00 32.42 C ATOM 525 CG2 ILE A 34 -5.037 -0.876 -5.638 1.00 50.33 C ATOM 526 CD1 ILE A 34 -2.899 -2.370 -7.330 1.00 14.35 C ATOM 0 H ILE A 34 -4.814 0.649 -9.445 1.00 12.24 H new ATOM 0 HA ILE A 34 -5.616 -1.868 -8.051 1.00 23.15 H new ATOM 0 HB ILE A 34 -4.520 0.715 -6.994 1.00 61.04 H new ATOM 0 HG12 ILE A 34 -2.748 -0.418 -8.199 1.00 32.42 H new ATOM 0 HG13 ILE A 34 -2.453 -0.458 -6.472 1.00 32.42 H new ATOM 0 HG21 ILE A 34 -4.332 -0.576 -4.862 1.00 50.33 H new ATOM 0 HG22 ILE A 34 -6.016 -0.446 -5.426 1.00 50.33 H new ATOM 0 HG23 ILE A 34 -5.115 -1.963 -5.656 1.00 50.33 H new ATOM 0 HD11 ILE A 34 -1.849 -2.594 -7.515 1.00 14.35 H new ATOM 0 HD12 ILE A 34 -3.205 -2.819 -6.385 1.00 14.35 H new ATOM 0 HD13 ILE A 34 -3.505 -2.778 -8.139 1.00 14.35 H new ATOM 538 N MET A 35 -7.057 1.136 -8.044 1.00 74.04 N ATOM 539 CA MET A 35 -8.283 1.915 -7.840 1.00 25.31 C ATOM 540 C MET A 35 -9.474 1.311 -8.584 1.00 13.13 C ATOM 541 O MET A 35 -10.535 1.085 -7.990 1.00 62.42 O ATOM 542 CB MET A 35 -8.010 3.359 -8.312 1.00 43.54 C ATOM 543 CG MET A 35 -9.252 4.251 -8.453 1.00 25.13 C ATOM 544 SD MET A 35 -10.288 4.396 -6.978 1.00 72.11 S ATOM 545 CE MET A 35 -9.106 5.236 -5.900 1.00 31.35 C ATOM 0 H MET A 35 -6.256 1.738 -8.237 1.00 74.04 H new ATOM 0 HA MET A 35 -8.548 1.904 -6.783 1.00 25.31 H new ATOM 0 HB2 MET A 35 -7.323 3.830 -7.608 1.00 43.54 H new ATOM 0 HB3 MET A 35 -7.501 3.318 -9.275 1.00 43.54 H new ATOM 0 HG2 MET A 35 -8.928 5.250 -8.746 1.00 25.13 H new ATOM 0 HG3 MET A 35 -9.864 3.863 -9.267 1.00 25.13 H new ATOM 0 HE1 MET A 35 -9.618 5.590 -5.005 1.00 31.35 H new ATOM 0 HE2 MET A 35 -8.316 4.541 -5.616 1.00 31.35 H new ATOM 0 HE3 MET A 35 -8.671 6.084 -6.428 1.00 31.35 H new ATOM 555 N ALA A 36 -9.297 1.018 -9.875 1.00 22.45 N ATOM 556 CA ALA A 36 -10.351 0.458 -10.700 1.00 54.03 C ATOM 557 C ALA A 36 -10.878 -0.855 -10.117 1.00 41.00 C ATOM 558 O ALA A 36 -12.087 -1.049 -10.041 1.00 15.11 O ATOM 559 CB ALA A 36 -9.812 0.233 -12.111 1.00 73.33 C ATOM 0 H ALA A 36 -8.417 1.165 -10.370 1.00 22.45 H new ATOM 0 HA ALA A 36 -11.184 1.160 -10.729 1.00 54.03 H new ATOM 0 HB1 ALA A 36 -10.598 -0.188 -12.738 1.00 73.33 H new ATOM 0 HB2 ALA A 36 -9.483 1.184 -12.531 1.00 73.33 H new ATOM 0 HB3 ALA A 36 -8.970 -0.458 -12.073 1.00 73.33 H new ATOM 565 N THR A 37 -9.988 -1.746 -9.683 1.00 42.00 N ATOM 566 CA THR A 37 -10.324 -3.023 -9.079 1.00 44.03 C ATOM 567 C THR A 37 -11.125 -2.885 -7.783 1.00 71.05 C ATOM 568 O THR A 37 -11.933 -3.773 -7.482 1.00 72.52 O ATOM 569 CB THR A 37 -9.042 -3.873 -8.963 1.00 12.33 C ATOM 570 OG1 THR A 37 -8.748 -4.376 -10.254 1.00 32.00 O ATOM 571 CG2 THR A 37 -9.122 -4.993 -7.929 1.00 13.24 C ATOM 0 H THR A 37 -8.982 -1.589 -9.747 1.00 42.00 H new ATOM 0 HA THR A 37 -11.015 -3.560 -9.729 1.00 44.03 H new ATOM 0 HB THR A 37 -8.239 -3.234 -8.596 1.00 12.33 H new ATOM 0 HG1 THR A 37 -7.935 -4.921 -10.215 1.00 32.00 H new ATOM 0 HG21 THR A 37 -8.180 -5.541 -7.912 1.00 13.24 H new ATOM 0 HG22 THR A 37 -9.311 -4.566 -6.944 1.00 13.24 H new ATOM 0 HG23 THR A 37 -9.932 -5.673 -8.191 1.00 13.24 H new ATOM 579 N ILE A 38 -10.973 -1.793 -7.031 1.00 1.02 N ATOM 580 CA ILE A 38 -11.818 -1.579 -5.870 1.00 2.43 C ATOM 581 C ILE A 38 -13.221 -1.235 -6.343 1.00 41.43 C ATOM 582 O ILE A 38 -14.123 -2.004 -6.033 1.00 23.02 O ATOM 583 CB ILE A 38 -11.169 -0.573 -4.909 1.00 14.33 C ATOM 584 CG1 ILE A 38 -9.960 -1.287 -4.257 1.00 41.11 C ATOM 585 CG2 ILE A 38 -12.143 -0.060 -3.835 1.00 35.21 C ATOM 586 CD1 ILE A 38 -8.652 -0.622 -4.666 1.00 50.23 C ATOM 0 H ILE A 38 -10.285 -1.060 -7.205 1.00 1.02 H new ATOM 0 HA ILE A 38 -11.919 -2.485 -5.272 1.00 2.43 H new ATOM 0 HB ILE A 38 -10.858 0.311 -5.466 1.00 14.33 H new ATOM 0 HG12 ILE A 38 -10.061 -1.264 -3.172 1.00 41.11 H new ATOM 0 HG13 ILE A 38 -9.948 -2.336 -4.554 1.00 41.11 H new ATOM 0 HG21 ILE A 38 -11.628 0.648 -3.185 1.00 35.21 H new ATOM 0 HG22 ILE A 38 -12.986 0.436 -4.316 1.00 35.21 H new ATOM 0 HG23 ILE A 38 -12.506 -0.900 -3.242 1.00 35.21 H new ATOM 0 HD11 ILE A 38 -7.817 -1.141 -4.195 1.00 50.23 H new ATOM 0 HD12 ILE A 38 -8.544 -0.668 -5.750 1.00 50.23 H new ATOM 0 HD13 ILE A 38 -8.658 0.420 -4.346 1.00 50.23 H new ATOM 598 N GLN A 39 -13.409 -0.177 -7.141 1.00 0.13 N ATOM 599 CA GLN A 39 -14.748 0.239 -7.583 1.00 4.30 C ATOM 600 C GLN A 39 -15.449 -0.834 -8.428 1.00 72.43 C ATOM 601 O GLN A 39 -16.679 -0.867 -8.521 1.00 33.10 O ATOM 602 CB GLN A 39 -14.663 1.553 -8.375 1.00 62.33 C ATOM 603 CG GLN A 39 -14.242 2.739 -7.498 1.00 2.24 C ATOM 604 CD GLN A 39 -14.280 4.060 -8.266 1.00 65.22 C ATOM 605 OE1 GLN A 39 -15.171 4.325 -9.071 1.00 12.51 O ATOM 606 NE2 GLN A 39 -13.306 4.923 -8.054 1.00 23.33 N ATOM 0 H GLN A 39 -12.651 0.407 -7.495 1.00 0.13 H new ATOM 0 HA GLN A 39 -15.346 0.388 -6.684 1.00 4.30 H new ATOM 0 HB2 GLN A 39 -13.949 1.437 -9.191 1.00 62.33 H new ATOM 0 HB3 GLN A 39 -15.632 1.765 -8.827 1.00 62.33 H new ATOM 0 HG2 GLN A 39 -14.902 2.803 -6.633 1.00 2.24 H new ATOM 0 HG3 GLN A 39 -13.235 2.569 -7.118 1.00 2.24 H new ATOM 0 HE21 GLN A 39 -12.567 4.704 -7.386 1.00 23.33 H new ATOM 0 HE22 GLN A 39 -13.292 5.810 -8.558 1.00 23.33 H new ATOM 615 N ARG A 40 -14.673 -1.715 -9.061 1.00 73.51 N ATOM 616 CA ARG A 40 -15.165 -2.892 -9.762 1.00 13.31 C ATOM 617 C ARG A 40 -15.745 -3.898 -8.782 1.00 52.32 C ATOM 618 O ARG A 40 -16.853 -4.377 -9.010 1.00 12.43 O ATOM 619 CB ARG A 40 -14.017 -3.525 -10.561 1.00 15.25 C ATOM 620 CG ARG A 40 -13.799 -2.807 -11.901 1.00 32.11 C ATOM 621 CD ARG A 40 -14.522 -3.604 -12.980 1.00 43.22 C ATOM 622 NE ARG A 40 -14.776 -2.854 -14.216 1.00 24.04 N ATOM 623 CZ ARG A 40 -15.466 -3.373 -15.236 1.00 4.00 C ATOM 624 NH1 ARG A 40 -15.812 -4.655 -15.213 1.00 35.23 N ATOM 625 NH2 ARG A 40 -15.804 -2.621 -16.269 1.00 54.35 N ATOM 0 H ARG A 40 -13.658 -1.623 -9.099 1.00 73.51 H new ATOM 0 HA ARG A 40 -15.959 -2.592 -10.446 1.00 13.31 H new ATOM 0 HB2 ARG A 40 -13.100 -3.487 -9.974 1.00 15.25 H new ATOM 0 HB3 ARG A 40 -14.236 -4.577 -10.743 1.00 15.25 H new ATOM 0 HG2 ARG A 40 -14.184 -1.788 -11.856 1.00 32.11 H new ATOM 0 HG3 ARG A 40 -12.735 -2.735 -12.127 1.00 32.11 H new ATOM 0 HD2 ARG A 40 -13.931 -4.488 -13.220 1.00 43.22 H new ATOM 0 HD3 ARG A 40 -15.473 -3.955 -12.580 1.00 43.22 H new ATOM 0 HE ARG A 40 -14.413 -1.904 -14.299 1.00 24.04 H new ATOM 0 HH11 ARG A 40 -15.551 -5.239 -14.419 1.00 35.23 H new ATOM 0 HH12 ARG A 40 -16.339 -5.055 -15.989 1.00 35.23 H new ATOM 0 HH21 ARG A 40 -15.538 -1.637 -16.292 1.00 54.35 H new ATOM 0 HH22 ARG A 40 -16.331 -3.025 -17.043 1.00 54.35 H new ATOM 639 N LYS A 41 -14.973 -4.299 -7.770 1.00 4.41 N ATOM 640 CA LYS A 41 -15.326 -5.346 -6.819 1.00 24.14 C ATOM 641 C LYS A 41 -16.338 -4.773 -5.828 1.00 42.13 C ATOM 642 O LYS A 41 -17.507 -5.141 -5.872 1.00 64.34 O ATOM 643 CB LYS A 41 -14.015 -5.870 -6.195 1.00 51.12 C ATOM 644 CG LYS A 41 -14.059 -7.177 -5.382 1.00 61.44 C ATOM 645 CD LYS A 41 -14.611 -7.016 -3.959 1.00 51.44 C ATOM 646 CE LYS A 41 -13.846 -7.831 -2.897 1.00 0.42 C ATOM 647 NZ LYS A 41 -14.028 -9.296 -2.949 1.00 11.14 N ATOM 0 H LYS A 41 -14.057 -3.889 -7.587 1.00 4.41 H new ATOM 0 HA LYS A 41 -15.816 -6.206 -7.276 1.00 24.14 H new ATOM 0 HB2 LYS A 41 -13.295 -6.006 -7.002 1.00 51.12 H new ATOM 0 HB3 LYS A 41 -13.622 -5.088 -5.545 1.00 51.12 H new ATOM 0 HG2 LYS A 41 -14.671 -7.904 -5.917 1.00 61.44 H new ATOM 0 HG3 LYS A 41 -13.052 -7.590 -5.324 1.00 61.44 H new ATOM 0 HD2 LYS A 41 -14.581 -5.961 -3.685 1.00 51.44 H new ATOM 0 HD3 LYS A 41 -15.658 -7.318 -3.950 1.00 51.44 H new ATOM 0 HE2 LYS A 41 -12.783 -7.613 -2.997 1.00 0.42 H new ATOM 0 HE3 LYS A 41 -14.151 -7.482 -1.911 1.00 0.42 H new ATOM 0 HZ1 LYS A 41 -13.498 -9.740 -2.172 1.00 11.14 H new ATOM 0 HZ2 LYS A 41 -15.038 -9.524 -2.853 1.00 11.14 H new ATOM 0 HZ3 LYS A 41 -13.677 -9.657 -3.859 1.00 11.14 H new ATOM 661 N TYR A 42 -15.910 -3.860 -4.960 1.00 42.23 N ATOM 662 CA TYR A 42 -16.722 -3.194 -3.954 1.00 73.12 C ATOM 663 C TYR A 42 -17.536 -2.079 -4.615 1.00 51.30 C ATOM 664 O TYR A 42 -16.969 -1.096 -5.091 1.00 5.54 O ATOM 665 CB TYR A 42 -15.821 -2.582 -2.873 1.00 44.00 C ATOM 666 CG TYR A 42 -14.818 -3.531 -2.255 1.00 3.10 C ATOM 667 CD1 TYR A 42 -15.177 -4.355 -1.173 1.00 61.21 C ATOM 668 CD2 TYR A 42 -13.515 -3.592 -2.781 1.00 53.43 C ATOM 669 CE1 TYR A 42 -14.245 -5.259 -0.639 1.00 75.12 C ATOM 670 CE2 TYR A 42 -12.578 -4.486 -2.249 1.00 43.32 C ATOM 671 CZ TYR A 42 -12.941 -5.322 -1.174 1.00 10.21 C ATOM 672 OH TYR A 42 -12.046 -6.223 -0.706 1.00 52.32 O ATOM 0 H TYR A 42 -14.938 -3.551 -4.941 1.00 42.23 H new ATOM 0 HA TYR A 42 -17.391 -3.923 -3.497 1.00 73.12 H new ATOM 0 HB2 TYR A 42 -15.281 -1.741 -3.307 1.00 44.00 H new ATOM 0 HB3 TYR A 42 -16.453 -2.181 -2.081 1.00 44.00 H new ATOM 0 HD1 TYR A 42 -16.170 -4.292 -0.753 1.00 61.21 H new ATOM 0 HD2 TYR A 42 -13.236 -2.946 -3.600 1.00 53.43 H new ATOM 0 HE1 TYR A 42 -14.526 -5.905 0.180 1.00 75.12 H new ATOM 0 HE2 TYR A 42 -11.581 -4.535 -2.661 1.00 43.32 H new ATOM 0 HH TYR A 42 -12.442 -6.720 0.040 1.00 52.32 H new ATOM 682 N LYS A 43 -18.861 -2.204 -4.638 1.00 31.14 N ATOM 683 CA LYS A 43 -19.741 -1.139 -5.121 1.00 70.21 C ATOM 684 C LYS A 43 -19.958 -0.101 -4.013 1.00 35.44 C ATOM 685 O LYS A 43 -19.693 1.079 -4.243 1.00 54.34 O ATOM 686 CB LYS A 43 -21.062 -1.733 -5.645 1.00 53.02 C ATOM 687 CG LYS A 43 -20.881 -2.741 -6.797 1.00 74.02 C ATOM 688 CD LYS A 43 -20.624 -2.115 -8.172 1.00 42.52 C ATOM 689 CE LYS A 43 -21.929 -1.529 -8.722 1.00 44.33 C ATOM 690 NZ LYS A 43 -21.794 -1.071 -10.118 1.00 32.53 N ATOM 0 H LYS A 43 -19.354 -3.040 -4.325 1.00 31.14 H new ATOM 0 HA LYS A 43 -19.272 -0.625 -5.960 1.00 70.21 H new ATOM 0 HB2 LYS A 43 -21.579 -2.226 -4.822 1.00 53.02 H new ATOM 0 HB3 LYS A 43 -21.705 -0.921 -5.984 1.00 53.02 H new ATOM 0 HG2 LYS A 43 -20.049 -3.402 -6.554 1.00 74.02 H new ATOM 0 HG3 LYS A 43 -21.774 -3.363 -6.859 1.00 74.02 H new ATOM 0 HD2 LYS A 43 -19.868 -1.334 -8.092 1.00 42.52 H new ATOM 0 HD3 LYS A 43 -20.234 -2.867 -8.858 1.00 42.52 H new ATOM 0 HE2 LYS A 43 -22.715 -2.282 -8.664 1.00 44.33 H new ATOM 0 HE3 LYS A 43 -22.241 -0.693 -8.096 1.00 44.33 H new ATOM 0 HZ1 LYS A 43 -22.702 -0.683 -10.445 1.00 32.53 H new ATOM 0 HZ2 LYS A 43 -21.063 -0.334 -10.172 1.00 32.53 H new ATOM 0 HZ3 LYS A 43 -21.522 -1.873 -10.722 1.00 32.53 H new ATOM 704 N GLY A 44 -20.396 -0.528 -2.821 1.00 62.00 N ATOM 705 CA GLY A 44 -20.903 0.278 -1.703 1.00 73.00 C ATOM 706 C GLY A 44 -19.848 1.035 -0.895 1.00 11.11 C ATOM 707 O GLY A 44 -19.806 0.939 0.328 1.00 34.24 O ATOM 0 H GLY A 44 -20.406 -1.523 -2.596 1.00 62.00 H new ATOM 0 HA2 GLY A 44 -21.619 1.000 -2.096 1.00 73.00 H new ATOM 0 HA3 GLY A 44 -21.450 -0.378 -1.026 1.00 73.00 H new ATOM 711 N ILE A 45 -18.982 1.779 -1.572 1.00 70.42 N ATOM 712 CA ILE A 45 -17.886 2.563 -1.016 1.00 71.50 C ATOM 713 C ILE A 45 -17.887 3.956 -1.655 1.00 13.21 C ATOM 714 O ILE A 45 -18.326 4.100 -2.802 1.00 40.21 O ATOM 715 CB ILE A 45 -16.573 1.758 -1.197 1.00 12.23 C ATOM 716 CG1 ILE A 45 -15.281 2.557 -0.941 1.00 54.23 C ATOM 717 CG2 ILE A 45 -16.482 0.963 -2.513 1.00 72.34 C ATOM 718 CD1 ILE A 45 -14.651 3.258 -2.150 1.00 33.45 C ATOM 0 H ILE A 45 -19.029 1.856 -2.588 1.00 70.42 H new ATOM 0 HA ILE A 45 -17.996 2.736 0.055 1.00 71.50 H new ATOM 0 HB ILE A 45 -16.645 1.025 -0.394 1.00 12.23 H new ATOM 0 HG12 ILE A 45 -15.493 3.311 -0.183 1.00 54.23 H new ATOM 0 HG13 ILE A 45 -14.540 1.879 -0.518 1.00 54.23 H new ATOM 0 HG21 ILE A 45 -15.531 0.432 -2.552 1.00 72.34 H new ATOM 0 HG22 ILE A 45 -17.301 0.245 -2.562 1.00 72.34 H new ATOM 0 HG23 ILE A 45 -16.550 1.649 -3.358 1.00 72.34 H new ATOM 0 HD11 ILE A 45 -13.749 3.784 -1.836 1.00 33.45 H new ATOM 0 HD12 ILE A 45 -14.394 2.517 -2.907 1.00 33.45 H new ATOM 0 HD13 ILE A 45 -15.361 3.972 -2.567 1.00 33.45 H new ATOM 730 N LYS A 46 -17.370 4.962 -0.942 1.00 54.01 N ATOM 731 CA LYS A 46 -17.114 6.323 -1.417 1.00 42.12 C ATOM 732 C LYS A 46 -15.603 6.549 -1.423 1.00 23.22 C ATOM 733 O LYS A 46 -14.941 6.186 -0.452 1.00 2.21 O ATOM 734 CB LYS A 46 -17.840 7.299 -0.478 1.00 33.54 C ATOM 735 CG LYS A 46 -17.671 8.779 -0.861 1.00 5.14 C ATOM 736 CD LYS A 46 -16.751 9.565 0.088 1.00 72.33 C ATOM 737 CE LYS A 46 -17.500 9.934 1.373 1.00 74.23 C ATOM 738 NZ LYS A 46 -16.607 10.363 2.463 1.00 0.10 N ATOM 0 H LYS A 46 -17.105 4.840 0.035 1.00 54.01 H new ATOM 0 HA LYS A 46 -17.485 6.482 -2.429 1.00 42.12 H new ATOM 0 HB2 LYS A 46 -18.902 7.056 -0.469 1.00 33.54 H new ATOM 0 HB3 LYS A 46 -17.471 7.153 0.537 1.00 33.54 H new ATOM 0 HG2 LYS A 46 -17.270 8.839 -1.873 1.00 5.14 H new ATOM 0 HG3 LYS A 46 -18.652 9.255 -0.878 1.00 5.14 H new ATOM 0 HD2 LYS A 46 -15.872 8.968 0.330 1.00 72.33 H new ATOM 0 HD3 LYS A 46 -16.395 10.469 -0.406 1.00 72.33 H new ATOM 0 HE2 LYS A 46 -18.208 10.734 1.156 1.00 74.23 H new ATOM 0 HE3 LYS A 46 -18.082 9.075 1.706 1.00 74.23 H new ATOM 0 HZ1 LYS A 46 -17.164 10.517 3.328 1.00 0.10 H new ATOM 0 HZ2 LYS A 46 -15.893 9.627 2.637 1.00 0.10 H new ATOM 0 HZ3 LYS A 46 -16.132 11.249 2.195 1.00 0.10 H new ATOM 752 N ILE A 47 -15.053 7.132 -2.491 1.00 61.32 N ATOM 753 CA ILE A 47 -13.656 7.562 -2.516 1.00 54.00 C ATOM 754 C ILE A 47 -13.580 8.878 -1.738 1.00 4.21 C ATOM 755 O ILE A 47 -14.370 9.789 -2.006 1.00 65.41 O ATOM 756 CB ILE A 47 -13.144 7.753 -3.970 1.00 51.13 C ATOM 757 CG1 ILE A 47 -13.488 6.592 -4.931 1.00 12.43 C ATOM 758 CG2 ILE A 47 -11.630 8.025 -3.991 1.00 24.33 C ATOM 759 CD1 ILE A 47 -12.870 5.247 -4.539 1.00 11.43 C ATOM 0 H ILE A 47 -15.561 7.318 -3.356 1.00 61.32 H new ATOM 0 HA ILE A 47 -13.020 6.802 -2.063 1.00 54.00 H new ATOM 0 HB ILE A 47 -13.683 8.623 -4.345 1.00 51.13 H new ATOM 0 HG12 ILE A 47 -14.571 6.482 -4.976 1.00 12.43 H new ATOM 0 HG13 ILE A 47 -13.152 6.854 -5.934 1.00 12.43 H new ATOM 0 HG21 ILE A 47 -11.298 8.155 -5.021 1.00 24.33 H new ATOM 0 HG22 ILE A 47 -11.415 8.931 -3.424 1.00 24.33 H new ATOM 0 HG23 ILE A 47 -11.103 7.183 -3.543 1.00 24.33 H new ATOM 0 HD11 ILE A 47 -13.161 4.488 -5.265 1.00 11.43 H new ATOM 0 HD12 ILE A 47 -11.784 5.337 -4.523 1.00 11.43 H new ATOM 0 HD13 ILE A 47 -13.225 4.958 -3.550 1.00 11.43 H new ATOM 771 N GLN A 48 -12.612 9.000 -0.835 1.00 21.21 N ATOM 772 CA GLN A 48 -12.130 10.266 -0.299 1.00 14.00 C ATOM 773 C GLN A 48 -10.638 10.131 0.012 1.00 30.43 C ATOM 774 O GLN A 48 -10.019 9.116 -0.295 1.00 14.24 O ATOM 775 CB GLN A 48 -12.983 10.702 0.913 1.00 24.31 C ATOM 776 CG GLN A 48 -13.022 9.674 2.055 1.00 33.42 C ATOM 777 CD GLN A 48 -13.403 10.271 3.398 1.00 22.24 C ATOM 778 OE1 GLN A 48 -14.359 9.851 4.037 1.00 4.22 O ATOM 779 NE2 GLN A 48 -12.653 11.249 3.874 1.00 71.42 N ATOM 0 H GLN A 48 -12.126 8.193 -0.444 1.00 21.21 H new ATOM 0 HA GLN A 48 -12.239 11.065 -1.033 1.00 14.00 H new ATOM 0 HB2 GLN A 48 -12.592 11.643 1.299 1.00 24.31 H new ATOM 0 HB3 GLN A 48 -14.002 10.894 0.576 1.00 24.31 H new ATOM 0 HG2 GLN A 48 -13.734 8.888 1.801 1.00 33.42 H new ATOM 0 HG3 GLN A 48 -12.043 9.202 2.141 1.00 33.42 H new ATOM 0 HE21 GLN A 48 -11.859 11.592 3.334 1.00 71.42 H new ATOM 0 HE22 GLN A 48 -12.868 11.661 4.782 1.00 71.42 H new ATOM 788 N GLU A 49 -10.038 11.128 0.651 1.00 74.52 N ATOM 789 CA GLU A 49 -8.644 11.101 1.107 1.00 50.32 C ATOM 790 C GLU A 49 -8.512 10.504 2.520 1.00 55.52 C ATOM 791 O GLU A 49 -7.466 10.580 3.158 1.00 23.50 O ATOM 792 CB GLU A 49 -8.006 12.504 1.063 1.00 71.51 C ATOM 793 CG GLU A 49 -8.624 13.470 0.050 1.00 72.22 C ATOM 794 CD GLU A 49 -9.855 14.203 0.594 1.00 52.50 C ATOM 795 OE1 GLU A 49 -9.684 15.247 1.268 1.00 15.43 O ATOM 796 OE2 GLU A 49 -10.996 13.731 0.382 1.00 61.32 O ATOM 0 H GLU A 49 -10.515 12.002 0.874 1.00 74.52 H new ATOM 0 HA GLU A 49 -8.105 10.454 0.415 1.00 50.32 H new ATOM 0 HB2 GLU A 49 -8.077 12.949 2.055 1.00 71.51 H new ATOM 0 HB3 GLU A 49 -6.945 12.396 0.837 1.00 71.51 H new ATOM 0 HG2 GLU A 49 -7.874 14.203 -0.249 1.00 72.22 H new ATOM 0 HG3 GLU A 49 -8.904 12.917 -0.847 1.00 72.22 H new ATOM 803 N GLY A 50 -9.618 10.006 3.058 1.00 23.13 N ATOM 804 CA GLY A 50 -9.747 9.529 4.431 1.00 1.32 C ATOM 805 C GLY A 50 -9.628 8.016 4.545 1.00 21.10 C ATOM 806 O GLY A 50 -9.312 7.315 3.578 1.00 11.31 O ATOM 0 H GLY A 50 -10.486 9.919 2.529 1.00 23.13 H new ATOM 0 HA2 GLY A 50 -8.978 9.996 5.047 1.00 1.32 H new ATOM 0 HA3 GLY A 50 -10.711 9.844 4.831 1.00 1.32 H new ATOM 810 N ILE A 51 -9.872 7.512 5.754 1.00 15.05 N ATOM 811 CA ILE A 51 -10.163 6.108 5.987 1.00 44.34 C ATOM 812 C ILE A 51 -11.542 5.820 5.400 1.00 24.31 C ATOM 813 O ILE A 51 -12.451 6.654 5.468 1.00 75.45 O ATOM 814 CB ILE A 51 -10.134 5.821 7.508 1.00 62.42 C ATOM 815 CG1 ILE A 51 -8.710 6.008 8.084 1.00 74.55 C ATOM 816 CG2 ILE A 51 -10.699 4.438 7.884 1.00 42.11 C ATOM 817 CD1 ILE A 51 -7.743 4.863 7.774 1.00 20.33 C ATOM 0 H ILE A 51 -9.872 8.076 6.604 1.00 15.05 H new ATOM 0 HA ILE A 51 -9.421 5.466 5.513 1.00 44.34 H new ATOM 0 HB ILE A 51 -10.798 6.556 7.963 1.00 62.42 H new ATOM 0 HG12 ILE A 51 -8.292 6.935 7.692 1.00 74.55 H new ATOM 0 HG13 ILE A 51 -8.782 6.123 9.166 1.00 74.55 H new ATOM 0 HG21 ILE A 51 -10.647 4.305 8.965 1.00 42.11 H new ATOM 0 HG22 ILE A 51 -11.737 4.369 7.559 1.00 42.11 H new ATOM 0 HG23 ILE A 51 -10.113 3.660 7.395 1.00 42.11 H new ATOM 0 HD11 ILE A 51 -6.770 5.079 8.216 1.00 20.33 H new ATOM 0 HD12 ILE A 51 -8.133 3.934 8.191 1.00 20.33 H new ATOM 0 HD13 ILE A 51 -7.636 4.759 6.694 1.00 20.33 H new ATOM 829 N VAL A 52 -11.681 4.599 4.906 1.00 65.12 N ATOM 830 CA VAL A 52 -12.920 3.929 4.593 1.00 12.41 C ATOM 831 C VAL A 52 -12.884 2.626 5.404 1.00 52.02 C ATOM 832 O VAL A 52 -11.823 2.148 5.820 1.00 43.31 O ATOM 833 CB VAL A 52 -12.991 3.723 3.063 1.00 22.41 C ATOM 834 CG1 VAL A 52 -14.325 3.158 2.577 1.00 71.21 C ATOM 835 CG2 VAL A 52 -12.754 5.030 2.300 1.00 53.03 C ATOM 0 H VAL A 52 -10.870 4.015 4.701 1.00 65.12 H new ATOM 0 HA VAL A 52 -13.819 4.486 4.856 1.00 12.41 H new ATOM 0 HB VAL A 52 -12.202 2.999 2.859 1.00 22.41 H new ATOM 0 HG11 VAL A 52 -14.298 3.042 1.494 1.00 71.21 H new ATOM 0 HG12 VAL A 52 -14.500 2.188 3.042 1.00 71.21 H new ATOM 0 HG13 VAL A 52 -15.130 3.841 2.848 1.00 71.21 H new ATOM 0 HG21 VAL A 52 -12.812 4.841 1.228 1.00 53.03 H new ATOM 0 HG22 VAL A 52 -13.514 5.759 2.582 1.00 53.03 H new ATOM 0 HG23 VAL A 52 -11.767 5.421 2.546 1.00 53.03 H new ATOM 845 N ASP A 53 -14.055 2.056 5.655 1.00 62.12 N ATOM 846 CA ASP A 53 -14.303 0.896 6.511 1.00 13.32 C ATOM 847 C ASP A 53 -15.141 -0.162 5.791 1.00 61.32 C ATOM 848 O ASP A 53 -15.981 -0.839 6.395 1.00 45.40 O ATOM 849 CB ASP A 53 -14.973 1.364 7.806 1.00 31.12 C ATOM 850 CG ASP A 53 -16.295 2.122 7.623 1.00 31.43 C ATOM 851 OD1 ASP A 53 -16.901 2.144 6.522 1.00 42.45 O ATOM 852 OD2 ASP A 53 -16.665 2.826 8.590 1.00 34.32 O ATOM 0 H ASP A 53 -14.916 2.413 5.240 1.00 62.12 H new ATOM 0 HA ASP A 53 -13.353 0.422 6.756 1.00 13.32 H new ATOM 0 HB2 ASP A 53 -15.156 0.494 8.436 1.00 31.12 H new ATOM 0 HB3 ASP A 53 -14.276 2.006 8.345 1.00 31.12 H new ATOM 857 N TYR A 54 -14.903 -0.317 4.489 1.00 14.35 N ATOM 858 CA TYR A 54 -15.686 -1.159 3.602 1.00 24.13 C ATOM 859 C TYR A 54 -14.741 -2.076 2.836 1.00 11.41 C ATOM 860 O TYR A 54 -14.028 -1.626 1.931 1.00 52.23 O ATOM 861 CB TYR A 54 -16.530 -0.290 2.661 1.00 12.25 C ATOM 862 CG TYR A 54 -17.656 -1.063 2.013 1.00 74.31 C ATOM 863 CD1 TYR A 54 -18.789 -1.412 2.774 1.00 25.51 C ATOM 864 CD2 TYR A 54 -17.589 -1.412 0.652 1.00 14.24 C ATOM 865 CE1 TYR A 54 -19.862 -2.085 2.170 1.00 51.43 C ATOM 866 CE2 TYR A 54 -18.668 -2.061 0.036 1.00 41.21 C ATOM 867 CZ TYR A 54 -19.809 -2.390 0.795 1.00 23.11 C ATOM 868 OH TYR A 54 -20.796 -3.107 0.212 1.00 44.22 O ATOM 0 H TYR A 54 -14.135 0.157 4.013 1.00 14.35 H new ATOM 0 HA TYR A 54 -16.377 -1.777 4.175 1.00 24.13 H new ATOM 0 HB2 TYR A 54 -16.944 0.549 3.220 1.00 12.25 H new ATOM 0 HB3 TYR A 54 -15.888 0.129 1.886 1.00 12.25 H new ATOM 0 HD1 TYR A 54 -18.832 -1.161 3.824 1.00 25.51 H new ATOM 0 HD2 TYR A 54 -16.703 -1.179 0.080 1.00 14.24 H new ATOM 0 HE1 TYR A 54 -20.724 -2.368 2.756 1.00 51.43 H new ATOM 0 HE2 TYR A 54 -18.625 -2.308 -1.015 1.00 41.21 H new ATOM 0 HH TYR A 54 -20.597 -3.223 -0.741 1.00 44.22 H new ATOM 878 N GLY A 55 -14.694 -3.352 3.201 1.00 5.21 N ATOM 879 CA GLY A 55 -13.827 -4.324 2.565 1.00 72.55 C ATOM 880 C GLY A 55 -12.566 -4.491 3.390 1.00 50.22 C ATOM 881 O GLY A 55 -12.480 -5.430 4.184 1.00 4.10 O ATOM 0 H GLY A 55 -15.263 -3.740 3.953 1.00 5.21 H new ATOM 0 HA2 GLY A 55 -14.342 -5.280 2.470 1.00 72.55 H new ATOM 0 HA3 GLY A 55 -13.574 -3.997 1.556 1.00 72.55 H new ATOM 885 N VAL A 56 -11.587 -3.607 3.186 1.00 60.31 N ATOM 886 CA VAL A 56 -10.257 -3.753 3.775 1.00 2.31 C ATOM 887 C VAL A 56 -9.732 -2.395 4.219 1.00 3.23 C ATOM 888 O VAL A 56 -8.652 -1.955 3.822 1.00 22.55 O ATOM 889 CB VAL A 56 -9.303 -4.515 2.833 1.00 61.24 C ATOM 890 CG1 VAL A 56 -8.005 -4.904 3.541 1.00 21.52 C ATOM 891 CG2 VAL A 56 -9.959 -5.775 2.253 1.00 63.01 C ATOM 0 H VAL A 56 -11.695 -2.773 2.609 1.00 60.31 H new ATOM 0 HA VAL A 56 -10.324 -4.371 4.671 1.00 2.31 H new ATOM 0 HB VAL A 56 -9.071 -3.832 2.016 1.00 61.24 H new ATOM 0 HG11 VAL A 56 -7.358 -5.439 2.846 1.00 21.52 H new ATOM 0 HG12 VAL A 56 -7.498 -4.005 3.890 1.00 21.52 H new ATOM 0 HG13 VAL A 56 -8.233 -5.546 4.392 1.00 21.52 H new ATOM 0 HG21 VAL A 56 -9.254 -6.282 1.595 1.00 63.01 H new ATOM 0 HG22 VAL A 56 -10.243 -6.444 3.065 1.00 63.01 H new ATOM 0 HG23 VAL A 56 -10.847 -5.495 1.686 1.00 63.01 H new ATOM 901 N ARG A 57 -10.511 -1.746 5.089 1.00 2.25 N ATOM 902 CA ARG A 57 -10.098 -0.583 5.872 1.00 52.54 C ATOM 903 C ARG A 57 -9.335 0.449 5.028 1.00 24.12 C ATOM 904 O ARG A 57 -8.272 0.925 5.430 1.00 22.11 O ATOM 905 CB ARG A 57 -9.303 -1.052 7.106 1.00 72.03 C ATOM 906 CG ARG A 57 -10.014 -2.157 7.914 1.00 72.23 C ATOM 907 CD ARG A 57 -9.633 -2.114 9.396 1.00 31.22 C ATOM 908 NE ARG A 57 -10.279 -0.959 10.035 1.00 10.22 N ATOM 909 CZ ARG A 57 -11.490 -0.928 10.602 1.00 33.01 C ATOM 910 NH1 ARG A 57 -12.198 -2.038 10.768 1.00 71.10 N ATOM 911 NH2 ARG A 57 -11.997 0.234 10.991 1.00 50.14 N ATOM 0 H ARG A 57 -11.475 -2.025 5.272 1.00 2.25 H new ATOM 0 HA ARG A 57 -10.989 -0.060 6.219 1.00 52.54 H new ATOM 0 HB2 ARG A 57 -8.329 -1.419 6.782 1.00 72.03 H new ATOM 0 HB3 ARG A 57 -9.121 -0.197 7.757 1.00 72.03 H new ATOM 0 HG2 ARG A 57 -11.093 -2.043 7.813 1.00 72.23 H new ATOM 0 HG3 ARG A 57 -9.756 -3.132 7.501 1.00 72.23 H new ATOM 0 HD2 ARG A 57 -9.942 -3.036 9.889 1.00 31.22 H new ATOM 0 HD3 ARG A 57 -8.550 -2.043 9.502 1.00 31.22 H new ATOM 0 HE ARG A 57 -9.747 -0.089 10.047 1.00 10.22 H new ATOM 0 HH11 ARG A 57 -11.820 -2.934 10.461 1.00 71.10 H new ATOM 0 HH12 ARG A 57 -13.120 -1.995 11.203 1.00 71.10 H new ATOM 0 HH21 ARG A 57 -11.464 1.093 10.857 1.00 50.14 H new ATOM 0 HH22 ARG A 57 -12.920 0.268 11.424 1.00 50.14 H new ATOM 925 N PHE A 58 -9.804 0.670 3.796 1.00 32.22 N ATOM 926 CA PHE A 58 -8.985 1.237 2.745 1.00 73.21 C ATOM 927 C PHE A 58 -8.650 2.671 3.115 1.00 11.23 C ATOM 928 O PHE A 58 -9.539 3.480 3.379 1.00 14.11 O ATOM 929 CB PHE A 58 -9.672 1.159 1.374 1.00 13.12 C ATOM 930 CG PHE A 58 -9.895 -0.243 0.828 1.00 61.23 C ATOM 931 CD1 PHE A 58 -8.799 -1.106 0.651 1.00 53.13 C ATOM 932 CD2 PHE A 58 -11.166 -0.657 0.382 1.00 12.00 C ATOM 933 CE1 PHE A 58 -8.974 -2.365 0.053 1.00 13.24 C ATOM 934 CE2 PHE A 58 -11.346 -1.945 -0.153 1.00 13.05 C ATOM 935 CZ PHE A 58 -10.251 -2.803 -0.312 1.00 14.11 C ATOM 0 H PHE A 58 -10.760 0.458 3.510 1.00 32.22 H new ATOM 0 HA PHE A 58 -8.067 0.656 2.656 1.00 73.21 H new ATOM 0 HB2 PHE A 58 -10.637 1.660 1.443 1.00 13.12 H new ATOM 0 HB3 PHE A 58 -9.073 1.718 0.655 1.00 13.12 H new ATOM 0 HD1 PHE A 58 -7.816 -0.799 0.977 1.00 53.13 H new ATOM 0 HD2 PHE A 58 -12.006 0.018 0.451 1.00 12.00 H new ATOM 0 HE1 PHE A 58 -8.118 -2.998 -0.126 1.00 13.24 H new ATOM 0 HE2 PHE A 58 -12.333 -2.274 -0.442 1.00 13.05 H new ATOM 0 HZ PHE A 58 -10.392 -3.796 -0.714 1.00 14.11 H new ATOM 945 N PHE A 59 -7.361 2.986 3.122 1.00 60.11 N ATOM 946 CA PHE A 59 -6.857 4.297 3.471 1.00 13.24 C ATOM 947 C PHE A 59 -6.302 4.877 2.178 1.00 45.22 C ATOM 948 O PHE A 59 -5.240 4.452 1.716 1.00 71.44 O ATOM 949 CB PHE A 59 -5.851 4.144 4.620 1.00 4.12 C ATOM 950 CG PHE A 59 -5.409 5.406 5.343 1.00 11.42 C ATOM 951 CD1 PHE A 59 -6.218 6.559 5.418 1.00 62.03 C ATOM 952 CD2 PHE A 59 -4.169 5.395 6.004 1.00 1.45 C ATOM 953 CE1 PHE A 59 -5.754 7.706 6.079 1.00 22.22 C ATOM 954 CE2 PHE A 59 -3.682 6.550 6.643 1.00 24.42 C ATOM 955 CZ PHE A 59 -4.487 7.704 6.681 1.00 4.44 C ATOM 0 H PHE A 59 -6.627 2.321 2.880 1.00 60.11 H new ATOM 0 HA PHE A 59 -7.605 4.992 3.852 1.00 13.24 H new ATOM 0 HB2 PHE A 59 -6.284 3.469 5.358 1.00 4.12 H new ATOM 0 HB3 PHE A 59 -4.961 3.655 4.224 1.00 4.12 H new ATOM 0 HD1 PHE A 59 -7.198 6.559 4.965 1.00 62.03 H new ATOM 0 HD2 PHE A 59 -3.582 4.488 6.022 1.00 1.45 H new ATOM 0 HE1 PHE A 59 -6.372 8.590 6.124 1.00 22.22 H new ATOM 0 HE2 PHE A 59 -2.703 6.551 7.099 1.00 24.42 H new ATOM 0 HZ PHE A 59 -4.127 8.593 7.177 1.00 4.44 H new ATOM 965 N PHE A 60 -7.102 5.725 1.532 1.00 14.31 N ATOM 966 CA PHE A 60 -6.773 6.341 0.255 1.00 61.34 C ATOM 967 C PHE A 60 -6.077 7.681 0.489 1.00 54.40 C ATOM 968 O PHE A 60 -6.305 8.319 1.515 1.00 14.30 O ATOM 969 CB PHE A 60 -8.051 6.573 -0.554 1.00 70.54 C ATOM 970 CG PHE A 60 -8.700 5.358 -1.187 1.00 31.00 C ATOM 971 CD1 PHE A 60 -8.086 4.755 -2.300 1.00 74.44 C ATOM 972 CD2 PHE A 60 -9.959 4.892 -0.750 1.00 53.25 C ATOM 973 CE1 PHE A 60 -8.756 3.745 -3.009 1.00 61.25 C ATOM 974 CE2 PHE A 60 -10.634 3.900 -1.477 1.00 2.21 C ATOM 975 CZ PHE A 60 -10.052 3.362 -2.635 1.00 34.14 C ATOM 0 H PHE A 60 -8.014 6.006 1.892 1.00 14.31 H new ATOM 0 HA PHE A 60 -6.108 5.676 -0.296 1.00 61.34 H new ATOM 0 HB2 PHE A 60 -8.784 7.045 0.100 1.00 70.54 H new ATOM 0 HB3 PHE A 60 -7.824 7.286 -1.346 1.00 70.54 H new ATOM 0 HD1 PHE A 60 -7.100 5.069 -2.609 1.00 74.44 H new ATOM 0 HD2 PHE A 60 -10.403 5.300 0.146 1.00 53.25 H new ATOM 0 HE1 PHE A 60 -8.272 3.262 -3.845 1.00 61.25 H new ATOM 0 HE2 PHE A 60 -11.601 3.551 -1.146 1.00 2.21 H new ATOM 0 HZ PHE A 60 -10.602 2.654 -3.237 1.00 34.14 H new ATOM 985 N TYR A 61 -5.310 8.159 -0.497 1.00 54.55 N ATOM 986 CA TYR A 61 -4.620 9.448 -0.436 1.00 4.42 C ATOM 987 C TYR A 61 -4.624 10.103 -1.801 1.00 1.24 C ATOM 988 O TYR A 61 -4.476 9.400 -2.803 1.00 32.44 O ATOM 989 CB TYR A 61 -3.151 9.269 -0.037 1.00 11.21 C ATOM 990 CG TYR A 61 -2.925 8.215 1.010 1.00 25.52 C ATOM 991 CD1 TYR A 61 -3.227 8.483 2.354 1.00 43.31 C ATOM 992 CD2 TYR A 61 -2.478 6.943 0.612 1.00 1.12 C ATOM 993 CE1 TYR A 61 -3.007 7.492 3.319 1.00 51.24 C ATOM 994 CE2 TYR A 61 -2.281 5.938 1.570 1.00 75.21 C ATOM 995 CZ TYR A 61 -2.526 6.222 2.927 1.00 61.01 C ATOM 996 OH TYR A 61 -2.256 5.277 3.857 1.00 5.23 O ATOM 0 H TYR A 61 -5.150 7.654 -1.369 1.00 54.55 H new ATOM 0 HA TYR A 61 -5.143 10.058 0.301 1.00 4.42 H new ATOM 0 HB2 TYR A 61 -2.573 9.014 -0.925 1.00 11.21 H new ATOM 0 HB3 TYR A 61 -2.767 10.220 0.331 1.00 11.21 H new ATOM 0 HD1 TYR A 61 -3.625 9.445 2.642 1.00 43.31 H new ATOM 0 HD2 TYR A 61 -2.286 6.740 -0.431 1.00 1.12 H new ATOM 0 HE1 TYR A 61 -3.205 7.698 4.361 1.00 51.24 H new ATOM 0 HE2 TYR A 61 -1.945 4.956 1.270 1.00 75.21 H new ATOM 0 HH TYR A 61 -2.579 5.578 4.732 1.00 5.23 H new ATOM 1006 N THR A 62 -4.707 11.430 -1.834 1.00 43.12 N ATOM 1007 CA THR A 62 -4.428 12.184 -3.050 1.00 0.14 C ATOM 1008 C THR A 62 -2.935 12.479 -3.152 1.00 54.11 C ATOM 1009 O THR A 62 -2.305 12.794 -2.142 1.00 5.43 O ATOM 1010 CB THR A 62 -5.234 13.492 -3.079 1.00 3.02 C ATOM 1011 OG1 THR A 62 -5.369 14.094 -1.799 1.00 23.10 O ATOM 1012 CG2 THR A 62 -6.636 13.214 -3.597 1.00 64.20 C ATOM 0 H THR A 62 -4.965 12.005 -1.032 1.00 43.12 H new ATOM 0 HA THR A 62 -4.729 11.581 -3.906 1.00 0.14 H new ATOM 0 HB THR A 62 -4.683 14.174 -3.726 1.00 3.02 H new ATOM 0 HG1 THR A 62 -5.888 14.921 -1.880 1.00 23.10 H new ATOM 0 HG21 THR A 62 -7.207 14.142 -3.617 1.00 64.20 H new ATOM 0 HG22 THR A 62 -6.577 12.802 -4.605 1.00 64.20 H new ATOM 0 HG23 THR A 62 -7.131 12.498 -2.941 1.00 64.20 H new ATOM 1020 N SER A 63 -2.425 12.488 -4.384 1.00 30.33 N ATOM 1021 CA SER A 63 -1.075 12.879 -4.788 1.00 72.32 C ATOM 1022 C SER A 63 -0.680 14.284 -4.312 1.00 24.23 C ATOM 1023 O SER A 63 0.509 14.578 -4.200 1.00 63.34 O ATOM 1024 CB SER A 63 -1.011 12.750 -6.319 1.00 11.14 C ATOM 1025 OG SER A 63 -2.088 13.456 -6.920 1.00 33.23 O ATOM 0 H SER A 63 -2.987 12.201 -5.185 1.00 30.33 H new ATOM 0 HA SER A 63 -0.348 12.222 -4.311 1.00 72.32 H new ATOM 0 HB2 SER A 63 -0.062 13.142 -6.684 1.00 11.14 H new ATOM 0 HB3 SER A 63 -1.053 11.699 -6.604 1.00 11.14 H new ATOM 0 HG SER A 63 -2.034 13.367 -7.894 1.00 33.23 H new ATOM 1031 N LYS A 64 -1.674 15.125 -3.999 1.00 4.45 N ATOM 1032 CA LYS A 64 -1.542 16.400 -3.312 1.00 0.22 C ATOM 1033 C LYS A 64 -0.681 16.274 -2.060 1.00 11.45 C ATOM 1034 O LYS A 64 0.166 17.135 -1.832 1.00 3.01 O ATOM 1035 CB LYS A 64 -2.959 16.925 -3.001 1.00 54.01 C ATOM 1036 CG LYS A 64 -3.004 18.152 -2.076 1.00 1.13 C ATOM 1037 CD LYS A 64 -3.368 17.795 -0.622 1.00 52.12 C ATOM 1038 CE LYS A 64 -4.875 17.907 -0.374 1.00 40.24 C ATOM 1039 NZ LYS A 64 -5.229 17.551 1.015 1.00 21.02 N ATOM 0 H LYS A 64 -2.644 14.915 -4.235 1.00 4.45 H new ATOM 0 HA LYS A 64 -1.027 17.118 -3.950 1.00 0.22 H new ATOM 0 HB2 LYS A 64 -3.452 17.177 -3.940 1.00 54.01 H new ATOM 0 HB3 LYS A 64 -3.537 16.122 -2.544 1.00 54.01 H new ATOM 0 HG2 LYS A 64 -2.033 18.647 -2.091 1.00 1.13 H new ATOM 0 HG3 LYS A 64 -3.732 18.865 -2.463 1.00 1.13 H new ATOM 0 HD2 LYS A 64 -3.037 16.780 -0.402 1.00 52.12 H new ATOM 0 HD3 LYS A 64 -2.836 18.458 0.060 1.00 52.12 H new ATOM 0 HE2 LYS A 64 -5.203 18.925 -0.584 1.00 40.24 H new ATOM 0 HE3 LYS A 64 -5.407 17.252 -1.064 1.00 40.24 H new ATOM 0 HZ1 LYS A 64 -5.870 16.732 1.011 1.00 21.02 H new ATOM 0 HZ2 LYS A 64 -4.365 17.312 1.543 1.00 21.02 H new ATOM 0 HZ3 LYS A 64 -5.701 18.358 1.471 1.00 21.02 H new ATOM 1053 N GLU A 65 -0.953 15.288 -1.202 1.00 24.24 N ATOM 1054 CA GLU A 65 -0.209 15.214 0.056 1.00 33.20 C ATOM 1055 C GLU A 65 1.169 14.571 -0.214 1.00 24.15 C ATOM 1056 O GLU A 65 1.244 13.640 -1.022 1.00 24.52 O ATOM 1057 CB GLU A 65 -1.018 14.424 1.104 1.00 64.32 C ATOM 1058 CG GLU A 65 -1.120 15.132 2.470 1.00 1.35 C ATOM 1059 CD GLU A 65 -2.512 15.706 2.735 1.00 2.40 C ATOM 1060 OE1 GLU A 65 -3.374 14.975 3.270 1.00 0.02 O ATOM 1061 OE2 GLU A 65 -2.772 16.897 2.453 1.00 72.31 O ATOM 0 H GLU A 65 -1.652 14.559 -1.345 1.00 24.24 H new ATOM 0 HA GLU A 65 -0.049 16.214 0.460 1.00 33.20 H new ATOM 0 HB2 GLU A 65 -2.023 14.250 0.719 1.00 64.32 H new ATOM 0 HB3 GLU A 65 -0.557 13.446 1.245 1.00 64.32 H new ATOM 0 HG2 GLU A 65 -0.866 14.426 3.260 1.00 1.35 H new ATOM 0 HG3 GLU A 65 -0.386 15.936 2.513 1.00 1.35 H new ATOM 1068 N PRO A 66 2.252 14.990 0.472 1.00 14.42 N ATOM 1069 CA PRO A 66 3.569 14.396 0.279 1.00 12.34 C ATOM 1070 C PRO A 66 3.627 12.982 0.845 1.00 13.11 C ATOM 1071 O PRO A 66 2.973 12.678 1.847 1.00 62.11 O ATOM 1072 CB PRO A 66 4.565 15.299 1.011 1.00 22.14 C ATOM 1073 CG PRO A 66 3.730 16.117 1.983 1.00 25.45 C ATOM 1074 CD PRO A 66 2.308 16.080 1.434 1.00 74.42 C ATOM 0 HA PRO A 66 3.801 14.321 -0.783 1.00 12.34 H new ATOM 0 HB2 PRO A 66 5.316 14.710 1.537 1.00 22.14 H new ATOM 0 HB3 PRO A 66 5.098 15.944 0.312 1.00 22.14 H new ATOM 0 HG2 PRO A 66 3.773 15.696 2.988 1.00 25.45 H new ATOM 0 HG3 PRO A 66 4.098 17.141 2.050 1.00 25.45 H new ATOM 0 HD2 PRO A 66 1.588 15.923 2.237 1.00 74.42 H new ATOM 0 HD3 PRO A 66 2.053 17.027 0.959 1.00 74.42 H new ATOM 1082 N VAL A 67 4.509 12.163 0.271 1.00 53.43 N ATOM 1083 CA VAL A 67 4.732 10.769 0.638 1.00 53.44 C ATOM 1084 C VAL A 67 5.040 10.689 2.136 1.00 55.24 C ATOM 1085 O VAL A 67 4.453 9.883 2.857 1.00 51.11 O ATOM 1086 CB VAL A 67 5.867 10.157 -0.222 1.00 32.44 C ATOM 1087 CG1 VAL A 67 5.786 8.626 -0.222 1.00 24.13 C ATOM 1088 CG2 VAL A 67 5.859 10.629 -1.683 1.00 32.50 C ATOM 0 H VAL A 67 5.111 12.468 -0.494 1.00 53.43 H new ATOM 0 HA VAL A 67 3.834 10.184 0.440 1.00 53.44 H new ATOM 0 HB VAL A 67 6.791 10.503 0.242 1.00 32.44 H new ATOM 0 HG11 VAL A 67 6.592 8.219 -0.832 1.00 24.13 H new ATOM 0 HG12 VAL A 67 5.881 8.257 0.799 1.00 24.13 H new ATOM 0 HG13 VAL A 67 4.826 8.312 -0.633 1.00 24.13 H new ATOM 0 HG21 VAL A 67 6.682 10.159 -2.222 1.00 32.50 H new ATOM 0 HG22 VAL A 67 4.914 10.352 -2.150 1.00 32.50 H new ATOM 0 HG23 VAL A 67 5.976 11.712 -1.716 1.00 32.50 H new ATOM 1098 N ALA A 68 5.905 11.583 2.626 1.00 64.44 N ATOM 1099 CA ALA A 68 6.254 11.672 4.035 1.00 22.14 C ATOM 1100 C ALA A 68 5.021 11.826 4.931 1.00 14.25 C ATOM 1101 O ALA A 68 4.968 11.226 6.011 1.00 44.04 O ATOM 1102 CB ALA A 68 7.199 12.853 4.238 1.00 11.42 C ATOM 0 H ALA A 68 6.384 12.270 2.043 1.00 64.44 H new ATOM 0 HA ALA A 68 6.742 10.740 4.322 1.00 22.14 H new ATOM 0 HB1 ALA A 68 7.466 12.928 5.292 1.00 11.42 H new ATOM 0 HB2 ALA A 68 8.101 12.703 3.644 1.00 11.42 H new ATOM 0 HB3 ALA A 68 6.705 13.772 3.923 1.00 11.42 H new ATOM 1108 N SER A 69 4.026 12.617 4.524 1.00 72.12 N ATOM 1109 CA SER A 69 2.825 12.763 5.333 1.00 34.11 C ATOM 1110 C SER A 69 1.982 11.482 5.335 1.00 64.20 C ATOM 1111 O SER A 69 1.378 11.188 6.365 1.00 63.41 O ATOM 1112 CB SER A 69 2.030 13.991 4.896 1.00 62.23 C ATOM 1113 OG SER A 69 2.801 15.151 5.155 1.00 60.03 O ATOM 0 H SER A 69 4.030 13.154 3.657 1.00 72.12 H new ATOM 0 HA SER A 69 3.127 12.925 6.368 1.00 34.11 H new ATOM 0 HB2 SER A 69 1.790 13.927 3.835 1.00 62.23 H new ATOM 0 HB3 SER A 69 1.084 14.039 5.435 1.00 62.23 H new ATOM 0 HG SER A 69 2.300 15.946 4.876 1.00 60.03 H new ATOM 1119 N ILE A 70 1.967 10.675 4.264 1.00 74.31 N ATOM 1120 CA ILE A 70 1.284 9.379 4.307 1.00 31.12 C ATOM 1121 C ILE A 70 1.983 8.490 5.342 1.00 1.15 C ATOM 1122 O ILE A 70 1.293 7.941 6.207 1.00 71.11 O ATOM 1123 CB ILE A 70 1.177 8.678 2.930 1.00 55.12 C ATOM 1124 CG1 ILE A 70 0.201 9.353 1.943 1.00 51.01 C ATOM 1125 CG2 ILE A 70 0.640 7.249 3.160 1.00 30.21 C ATOM 1126 CD1 ILE A 70 0.663 10.682 1.349 1.00 43.45 C ATOM 0 H ILE A 70 2.413 10.894 3.373 1.00 74.31 H new ATOM 0 HA ILE A 70 0.250 9.559 4.602 1.00 31.12 H new ATOM 0 HB ILE A 70 2.175 8.717 2.493 1.00 55.12 H new ATOM 0 HG12 ILE A 70 0.006 8.660 1.125 1.00 51.01 H new ATOM 0 HG13 ILE A 70 -0.747 9.517 2.455 1.00 51.01 H new ATOM 0 HG21 ILE A 70 0.555 6.734 2.203 1.00 30.21 H new ATOM 0 HG22 ILE A 70 1.326 6.702 3.807 1.00 30.21 H new ATOM 0 HG23 ILE A 70 -0.341 7.301 3.632 1.00 30.21 H new ATOM 0 HD11 ILE A 70 -0.101 11.063 0.671 1.00 43.45 H new ATOM 0 HD12 ILE A 70 0.828 11.401 2.151 1.00 43.45 H new ATOM 0 HD13 ILE A 70 1.593 10.532 0.800 1.00 43.45 H new ATOM 1138 N ILE A 71 3.321 8.377 5.296 1.00 1.54 N ATOM 1139 CA ILE A 71 4.082 7.600 6.280 1.00 34.41 C ATOM 1140 C ILE A 71 3.667 8.030 7.692 1.00 63.02 C ATOM 1141 O ILE A 71 3.452 7.191 8.562 1.00 50.31 O ATOM 1142 CB ILE A 71 5.614 7.769 6.103 1.00 70.43 C ATOM 1143 CG1 ILE A 71 6.180 7.344 4.729 1.00 53.45 C ATOM 1144 CG2 ILE A 71 6.346 7.012 7.223 1.00 23.33 C ATOM 1145 CD1 ILE A 71 6.228 5.834 4.459 1.00 5.01 C ATOM 0 H ILE A 71 3.899 8.819 4.581 1.00 1.54 H new ATOM 0 HA ILE A 71 3.855 6.545 6.124 1.00 34.41 H new ATOM 0 HB ILE A 71 5.792 8.843 6.160 1.00 70.43 H new ATOM 0 HG12 ILE A 71 5.579 7.813 3.950 1.00 53.45 H new ATOM 0 HG13 ILE A 71 7.190 7.742 4.636 1.00 53.45 H new ATOM 0 HG21 ILE A 71 7.422 7.130 7.099 1.00 23.33 H new ATOM 0 HG22 ILE A 71 6.046 7.414 8.191 1.00 23.33 H new ATOM 0 HG23 ILE A 71 6.090 5.954 7.175 1.00 23.33 H new ATOM 0 HD11 ILE A 71 6.642 5.655 3.467 1.00 5.01 H new ATOM 0 HD12 ILE A 71 6.856 5.350 5.207 1.00 5.01 H new ATOM 0 HD13 ILE A 71 5.220 5.423 4.511 1.00 5.01 H new ATOM 1157 N THR A 72 3.564 9.337 7.921 1.00 32.40 N ATOM 1158 CA THR A 72 3.251 9.902 9.221 1.00 60.22 C ATOM 1159 C THR A 72 1.870 9.434 9.701 1.00 43.43 C ATOM 1160 O THR A 72 1.748 8.954 10.831 1.00 72.22 O ATOM 1161 CB THR A 72 3.418 11.428 9.132 1.00 13.51 C ATOM 1162 OG1 THR A 72 4.704 11.742 8.605 1.00 74.44 O ATOM 1163 CG2 THR A 72 3.287 12.111 10.488 1.00 11.34 C ATOM 0 H THR A 72 3.699 10.040 7.194 1.00 32.40 H new ATOM 0 HA THR A 72 3.939 9.545 9.987 1.00 60.22 H new ATOM 0 HB THR A 72 2.622 11.792 8.482 1.00 13.51 H new ATOM 0 HG1 THR A 72 4.673 11.709 7.626 1.00 74.44 H new ATOM 0 HG21 THR A 72 3.413 13.187 10.367 1.00 11.34 H new ATOM 0 HG22 THR A 72 2.301 11.906 10.905 1.00 11.34 H new ATOM 0 HG23 THR A 72 4.053 11.729 11.163 1.00 11.34 H new ATOM 1171 N LYS A 73 0.832 9.501 8.860 1.00 31.43 N ATOM 1172 CA LYS A 73 -0.494 9.014 9.215 1.00 23.13 C ATOM 1173 C LYS A 73 -0.451 7.507 9.505 1.00 21.00 C ATOM 1174 O LYS A 73 -0.947 7.061 10.541 1.00 72.35 O ATOM 1175 CB LYS A 73 -1.474 9.366 8.088 1.00 33.45 C ATOM 1176 CG LYS A 73 -1.649 10.880 7.855 1.00 75.31 C ATOM 1177 CD LYS A 73 -2.645 11.210 6.726 1.00 50.44 C ATOM 1178 CE LYS A 73 -2.252 12.516 6.010 1.00 62.20 C ATOM 1179 NZ LYS A 73 -3.395 13.156 5.322 1.00 34.12 N ATOM 0 H LYS A 73 0.893 9.893 7.920 1.00 31.43 H new ATOM 0 HA LYS A 73 -0.841 9.497 10.128 1.00 23.13 H new ATOM 0 HB2 LYS A 73 -1.128 8.905 7.163 1.00 33.45 H new ATOM 0 HB3 LYS A 73 -2.446 8.930 8.317 1.00 33.45 H new ATOM 0 HG2 LYS A 73 -1.990 11.346 8.779 1.00 75.31 H new ATOM 0 HG3 LYS A 73 -0.680 11.318 7.616 1.00 75.31 H new ATOM 0 HD2 LYS A 73 -2.671 10.391 6.008 1.00 50.44 H new ATOM 0 HD3 LYS A 73 -3.650 11.305 7.138 1.00 50.44 H new ATOM 0 HE2 LYS A 73 -1.834 13.213 6.737 1.00 62.20 H new ATOM 0 HE3 LYS A 73 -1.467 12.305 5.283 1.00 62.20 H new ATOM 0 HZ1 LYS A 73 -3.041 13.787 4.575 1.00 34.12 H new ATOM 0 HZ2 LYS A 73 -4.000 12.423 4.899 1.00 34.12 H new ATOM 0 HZ3 LYS A 73 -3.948 13.708 6.008 1.00 34.12 H new ATOM 1193 N LEU A 74 0.183 6.718 8.631 1.00 61.15 N ATOM 1194 CA LEU A 74 0.311 5.268 8.795 1.00 52.54 C ATOM 1195 C LEU A 74 1.116 4.881 10.031 1.00 24.43 C ATOM 1196 O LEU A 74 0.958 3.764 10.522 1.00 21.23 O ATOM 1197 CB LEU A 74 1.003 4.635 7.577 1.00 42.44 C ATOM 1198 CG LEU A 74 0.128 4.515 6.323 1.00 22.21 C ATOM 1199 CD1 LEU A 74 1.027 4.074 5.161 1.00 32.15 C ATOM 1200 CD2 LEU A 74 -1.005 3.498 6.544 1.00 74.43 C ATOM 0 H LEU A 74 0.625 7.072 7.783 1.00 61.15 H new ATOM 0 HA LEU A 74 -0.708 4.897 8.902 1.00 52.54 H new ATOM 0 HB2 LEU A 74 1.885 5.227 7.331 1.00 42.44 H new ATOM 0 HB3 LEU A 74 1.353 3.641 7.853 1.00 42.44 H new ATOM 0 HG LEU A 74 -0.336 5.476 6.098 1.00 22.21 H new ATOM 0 HD11 LEU A 74 0.430 3.980 4.254 1.00 32.15 H new ATOM 0 HD12 LEU A 74 1.810 4.816 5.005 1.00 32.15 H new ATOM 0 HD13 LEU A 74 1.481 3.112 5.397 1.00 32.15 H new ATOM 0 HD21 LEU A 74 -1.613 3.429 5.642 1.00 74.43 H new ATOM 0 HD22 LEU A 74 -0.578 2.521 6.769 1.00 74.43 H new ATOM 0 HD23 LEU A 74 -1.628 3.823 7.377 1.00 74.43 H new ATOM 1212 N ASN A 75 1.978 5.758 10.550 1.00 52.44 N ATOM 1213 CA ASN A 75 2.820 5.434 11.697 1.00 23.14 C ATOM 1214 C ASN A 75 1.948 5.351 12.951 1.00 22.32 C ATOM 1215 O ASN A 75 2.329 4.699 13.924 1.00 62.02 O ATOM 1216 CB ASN A 75 3.956 6.473 11.880 1.00 65.31 C ATOM 1217 CG ASN A 75 5.362 5.914 11.640 1.00 61.41 C ATOM 1218 OD1 ASN A 75 5.647 4.744 11.872 1.00 62.44 O ATOM 1219 ND2 ASN A 75 6.307 6.729 11.196 1.00 70.12 N ATOM 0 H ASN A 75 2.109 6.703 10.189 1.00 52.44 H new ATOM 0 HA ASN A 75 3.297 4.470 11.522 1.00 23.14 H new ATOM 0 HB2 ASN A 75 3.786 7.305 11.196 1.00 65.31 H new ATOM 0 HB3 ASN A 75 3.905 6.876 12.891 1.00 65.31 H new ATOM 0 HD21 ASN A 75 7.255 6.380 11.052 1.00 70.12 H new ATOM 0 HD22 ASN A 75 6.087 7.705 10.998 1.00 70.12 H new ATOM 1226 N SER A 76 0.782 5.997 12.920 1.00 10.43 N ATOM 1227 CA SER A 76 -0.128 6.107 14.035 1.00 52.42 C ATOM 1228 C SER A 76 -1.126 4.951 14.111 1.00 3.00 C ATOM 1229 O SER A 76 -1.607 4.642 15.197 1.00 21.23 O ATOM 1230 CB SER A 76 -0.869 7.428 13.893 1.00 31.02 C ATOM 1231 OG SER A 76 -0.952 8.085 15.147 1.00 10.31 O ATOM 0 H SER A 76 0.443 6.471 12.083 1.00 10.43 H new ATOM 0 HA SER A 76 0.449 6.066 14.959 1.00 52.42 H new ATOM 0 HB2 SER A 76 -0.354 8.066 13.174 1.00 31.02 H new ATOM 0 HB3 SER A 76 -1.871 7.250 13.501 1.00 31.02 H new ATOM 0 HG SER A 76 -1.430 8.934 15.040 1.00 10.31 H new ATOM 1237 N LEU A 77 -1.475 4.328 12.981 1.00 23.42 N ATOM 1238 CA LEU A 77 -2.413 3.207 12.979 1.00 53.44 C ATOM 1239 C LEU A 77 -1.827 2.007 13.717 1.00 64.01 C ATOM 1240 O LEU A 77 -2.552 1.334 14.447 1.00 20.31 O ATOM 1241 CB LEU A 77 -2.811 2.860 11.537 1.00 52.23 C ATOM 1242 CG LEU A 77 -3.806 3.891 10.970 1.00 22.13 C ATOM 1243 CD1 LEU A 77 -3.896 3.785 9.452 1.00 51.15 C ATOM 1244 CD2 LEU A 77 -5.198 3.707 11.574 1.00 34.45 C ATOM 0 H LEU A 77 -1.121 4.582 12.059 1.00 23.42 H new ATOM 0 HA LEU A 77 -3.317 3.497 13.514 1.00 53.44 H new ATOM 0 HB2 LEU A 77 -1.921 2.827 10.909 1.00 52.23 H new ATOM 0 HB3 LEU A 77 -3.258 1.866 11.509 1.00 52.23 H new ATOM 0 HG LEU A 77 -3.433 4.880 11.238 1.00 22.13 H new ATOM 0 HD11 LEU A 77 -4.605 4.523 9.077 1.00 51.15 H new ATOM 0 HD12 LEU A 77 -2.914 3.970 9.016 1.00 51.15 H new ATOM 0 HD13 LEU A 77 -4.233 2.786 9.176 1.00 51.15 H new ATOM 0 HD21 LEU A 77 -5.878 4.449 11.154 1.00 34.45 H new ATOM 0 HD22 LEU A 77 -5.565 2.707 11.344 1.00 34.45 H new ATOM 0 HD23 LEU A 77 -5.145 3.834 12.655 1.00 34.45 H new ATOM 1256 N ASN A 78 -0.510 1.836 13.620 1.00 65.32 N ATOM 1257 CA ASN A 78 0.310 0.805 14.257 1.00 21.35 C ATOM 1258 C ASN A 78 -0.300 -0.600 14.130 1.00 25.53 C ATOM 1259 O ASN A 78 -0.293 -1.405 15.067 1.00 65.21 O ATOM 1260 CB ASN A 78 0.678 1.206 15.697 1.00 51.01 C ATOM 1261 CG ASN A 78 1.827 0.356 16.231 1.00 53.44 C ATOM 1262 OD1 ASN A 78 2.692 -0.073 15.475 1.00 33.30 O ATOM 1263 ND2 ASN A 78 1.879 0.111 17.526 1.00 24.14 N ATOM 0 H ASN A 78 0.057 2.464 13.049 1.00 65.32 H new ATOM 0 HA ASN A 78 1.251 0.738 13.710 1.00 21.35 H new ATOM 0 HB2 ASN A 78 0.959 2.259 15.723 1.00 51.01 H new ATOM 0 HB3 ASN A 78 -0.193 1.092 16.343 1.00 51.01 H new ATOM 0 HD21 ASN A 78 2.646 -0.442 17.910 1.00 24.14 H new ATOM 0 HD22 ASN A 78 1.153 0.474 18.143 1.00 24.14 H new ATOM 1270 N GLU A 79 -0.828 -0.890 12.943 1.00 12.14 N ATOM 1271 CA GLU A 79 -1.222 -2.212 12.473 1.00 12.21 C ATOM 1272 C GLU A 79 -0.178 -2.690 11.453 1.00 41.43 C ATOM 1273 O GLU A 79 0.499 -1.847 10.848 1.00 50.23 O ATOM 1274 CB GLU A 79 -2.598 -2.108 11.788 1.00 74.33 C ATOM 1275 CG GLU A 79 -3.777 -2.151 12.766 1.00 15.03 C ATOM 1276 CD GLU A 79 -4.095 -3.581 13.218 1.00 70.54 C ATOM 1277 OE1 GLU A 79 -3.283 -4.189 13.953 1.00 2.34 O ATOM 1278 OE2 GLU A 79 -5.173 -4.117 12.868 1.00 13.12 O ATOM 0 H GLU A 79 -1.001 -0.166 12.245 1.00 12.14 H new ATOM 0 HA GLU A 79 -1.282 -2.914 13.305 1.00 12.21 H new ATOM 0 HB2 GLU A 79 -2.642 -1.179 11.220 1.00 74.33 H new ATOM 0 HB3 GLU A 79 -2.701 -2.924 11.073 1.00 74.33 H new ATOM 0 HG2 GLU A 79 -3.548 -1.538 13.637 1.00 15.03 H new ATOM 0 HG3 GLU A 79 -4.657 -1.716 12.292 1.00 15.03 H new ATOM 1285 N PRO A 80 -0.072 -4.007 11.200 1.00 53.34 N ATOM 1286 CA PRO A 80 0.587 -4.522 10.012 1.00 25.20 C ATOM 1287 C PRO A 80 -0.254 -4.180 8.780 1.00 1.44 C ATOM 1288 O PRO A 80 -1.486 -4.117 8.846 1.00 33.14 O ATOM 1289 CB PRO A 80 0.688 -6.032 10.230 1.00 10.02 C ATOM 1290 CG PRO A 80 -0.526 -6.347 11.102 1.00 62.51 C ATOM 1291 CD PRO A 80 -0.700 -5.088 11.945 1.00 1.42 C ATOM 0 HA PRO A 80 1.574 -4.090 9.848 1.00 25.20 H new ATOM 0 HB2 PRO A 80 0.657 -6.577 9.287 1.00 10.02 H new ATOM 0 HB3 PRO A 80 1.620 -6.305 10.725 1.00 10.02 H new ATOM 0 HG2 PRO A 80 -1.411 -6.551 10.499 1.00 62.51 H new ATOM 0 HG3 PRO A 80 -0.355 -7.225 11.724 1.00 62.51 H new ATOM 0 HD2 PRO A 80 -1.756 -4.879 12.118 1.00 1.42 H new ATOM 0 HD3 PRO A 80 -0.234 -5.208 12.923 1.00 1.42 H new ATOM 1299 N LEU A 81 0.397 -3.978 7.638 1.00 21.33 N ATOM 1300 CA LEU A 81 -0.228 -3.457 6.429 1.00 2.01 C ATOM 1301 C LEU A 81 0.218 -4.329 5.266 1.00 31.32 C ATOM 1302 O LEU A 81 1.209 -5.047 5.386 1.00 22.22 O ATOM 1303 CB LEU A 81 0.180 -1.983 6.198 1.00 71.04 C ATOM 1304 CG LEU A 81 0.370 -1.108 7.458 1.00 54.50 C ATOM 1305 CD1 LEU A 81 1.080 0.186 7.086 1.00 15.31 C ATOM 1306 CD2 LEU A 81 -0.945 -0.738 8.135 1.00 32.14 C ATOM 0 H LEU A 81 1.391 -4.176 7.526 1.00 21.33 H new ATOM 0 HA LEU A 81 -1.314 -3.481 6.522 1.00 2.01 H new ATOM 0 HB2 LEU A 81 1.112 -1.973 5.633 1.00 71.04 H new ATOM 0 HB3 LEU A 81 -0.578 -1.515 5.570 1.00 71.04 H new ATOM 0 HG LEU A 81 0.958 -1.705 8.155 1.00 54.50 H new ATOM 0 HD11 LEU A 81 1.211 0.799 7.978 1.00 15.31 H new ATOM 0 HD12 LEU A 81 2.055 -0.044 6.657 1.00 15.31 H new ATOM 0 HD13 LEU A 81 0.483 0.732 6.356 1.00 15.31 H new ATOM 0 HD21 LEU A 81 -0.742 -0.124 9.012 1.00 32.14 H new ATOM 0 HD22 LEU A 81 -1.569 -0.179 7.437 1.00 32.14 H new ATOM 0 HD23 LEU A 81 -1.465 -1.646 8.440 1.00 32.14 H new ATOM 1318 N VAL A 82 -0.453 -4.232 4.124 1.00 61.53 N ATOM 1319 CA VAL A 82 0.008 -4.847 2.885 1.00 44.22 C ATOM 1320 C VAL A 82 -0.221 -3.806 1.790 1.00 21.25 C ATOM 1321 O VAL A 82 -1.355 -3.355 1.614 1.00 4.30 O ATOM 1322 CB VAL A 82 -0.689 -6.206 2.620 1.00 24.31 C ATOM 1323 CG1 VAL A 82 -0.049 -6.911 1.419 1.00 25.13 C ATOM 1324 CG2 VAL A 82 -0.693 -7.173 3.808 1.00 33.02 C ATOM 0 H VAL A 82 -1.333 -3.724 4.031 1.00 61.53 H new ATOM 0 HA VAL A 82 1.065 -5.108 2.929 1.00 44.22 H new ATOM 0 HB VAL A 82 -1.730 -5.948 2.424 1.00 24.31 H new ATOM 0 HG11 VAL A 82 -0.550 -7.864 1.247 1.00 25.13 H new ATOM 0 HG12 VAL A 82 -0.148 -6.283 0.533 1.00 25.13 H new ATOM 0 HG13 VAL A 82 1.007 -7.088 1.622 1.00 25.13 H new ATOM 0 HG21 VAL A 82 -1.202 -8.094 3.525 1.00 33.02 H new ATOM 0 HG22 VAL A 82 0.334 -7.400 4.096 1.00 33.02 H new ATOM 0 HG23 VAL A 82 -1.213 -6.714 4.649 1.00 33.02 H new ATOM 1334 N THR A 83 0.819 -3.377 1.072 1.00 3.14 N ATOM 1335 CA THR A 83 0.679 -2.418 -0.023 1.00 55.31 C ATOM 1336 C THR A 83 1.786 -2.600 -1.071 1.00 30.22 C ATOM 1337 O THR A 83 2.666 -3.445 -0.929 1.00 4.43 O ATOM 1338 CB THR A 83 0.553 -0.998 0.564 1.00 53.51 C ATOM 1339 OG1 THR A 83 0.133 -0.071 -0.415 1.00 44.34 O ATOM 1340 CG2 THR A 83 1.825 -0.492 1.250 1.00 23.35 C ATOM 0 H THR A 83 1.778 -3.684 1.233 1.00 3.14 H new ATOM 0 HA THR A 83 -0.239 -2.601 -0.581 1.00 55.31 H new ATOM 0 HB THR A 83 -0.209 -1.080 1.339 1.00 53.51 H new ATOM 0 HG1 THR A 83 -0.845 -0.007 -0.407 1.00 44.34 H new ATOM 0 HG21 THR A 83 1.655 0.513 1.636 1.00 23.35 H new ATOM 0 HG22 THR A 83 2.084 -1.158 2.073 1.00 23.35 H new ATOM 0 HG23 THR A 83 2.643 -0.470 0.530 1.00 23.35 H new ATOM 1348 N MET A 84 1.737 -1.821 -2.147 1.00 41.12 N ATOM 1349 CA MET A 84 2.815 -1.615 -3.111 1.00 45.13 C ATOM 1350 C MET A 84 3.592 -0.365 -2.654 1.00 71.14 C ATOM 1351 O MET A 84 3.090 0.376 -1.803 1.00 33.33 O ATOM 1352 CB MET A 84 2.231 -1.431 -4.521 1.00 72.33 C ATOM 1353 CG MET A 84 1.208 -2.494 -4.945 1.00 22.22 C ATOM 1354 SD MET A 84 -0.528 -1.970 -4.965 1.00 50.34 S ATOM 1355 CE MET A 84 -1.192 -2.556 -3.382 1.00 52.44 C ATOM 0 H MET A 84 0.900 -1.288 -2.383 1.00 41.12 H new ATOM 0 HA MET A 84 3.483 -2.475 -3.154 1.00 45.13 H new ATOM 0 HB2 MET A 84 1.758 -0.451 -4.576 1.00 72.33 H new ATOM 0 HB3 MET A 84 3.050 -1.430 -5.240 1.00 72.33 H new ATOM 0 HG2 MET A 84 1.472 -2.845 -5.943 1.00 22.22 H new ATOM 0 HG3 MET A 84 1.301 -3.347 -4.272 1.00 22.22 H new ATOM 0 HE1 MET A 84 -2.089 -3.149 -3.561 1.00 52.44 H new ATOM 0 HE2 MET A 84 -0.445 -3.170 -2.879 1.00 52.44 H new ATOM 0 HE3 MET A 84 -1.442 -1.701 -2.753 1.00 52.44 H new ATOM 1365 N PRO A 85 4.800 -0.067 -3.155 1.00 65.43 N ATOM 1366 CA PRO A 85 5.514 1.114 -2.704 1.00 20.44 C ATOM 1367 C PRO A 85 4.767 2.350 -3.193 1.00 44.25 C ATOM 1368 O PRO A 85 4.499 2.499 -4.388 1.00 13.21 O ATOM 1369 CB PRO A 85 6.916 1.008 -3.279 1.00 33.34 C ATOM 1370 CG PRO A 85 6.707 0.210 -4.559 1.00 52.31 C ATOM 1371 CD PRO A 85 5.537 -0.727 -4.218 1.00 62.04 C ATOM 0 HA PRO A 85 5.577 1.192 -1.619 1.00 20.44 H new ATOM 0 HB2 PRO A 85 7.343 1.990 -3.482 1.00 33.34 H new ATOM 0 HB3 PRO A 85 7.595 0.500 -2.594 1.00 33.34 H new ATOM 0 HG2 PRO A 85 6.467 0.859 -5.401 1.00 52.31 H new ATOM 0 HG3 PRO A 85 7.602 -0.350 -4.832 1.00 52.31 H new ATOM 0 HD2 PRO A 85 4.903 -0.894 -5.089 1.00 62.04 H new ATOM 0 HD3 PRO A 85 5.899 -1.703 -3.895 1.00 62.04 H new ATOM 1379 N ILE A 86 4.388 3.210 -2.254 1.00 32.12 N ATOM 1380 CA ILE A 86 3.510 4.338 -2.511 1.00 61.15 C ATOM 1381 C ILE A 86 4.186 5.283 -3.506 1.00 34.31 C ATOM 1382 O ILE A 86 3.621 5.574 -4.561 1.00 34.12 O ATOM 1383 CB ILE A 86 3.098 5.001 -1.175 1.00 40.33 C ATOM 1384 CG1 ILE A 86 2.364 3.935 -0.319 1.00 42.22 C ATOM 1385 CG2 ILE A 86 2.252 6.256 -1.463 1.00 64.04 C ATOM 1386 CD1 ILE A 86 1.842 4.354 1.054 1.00 23.13 C ATOM 0 H ILE A 86 4.688 3.139 -1.282 1.00 32.12 H new ATOM 0 HA ILE A 86 2.578 4.016 -2.977 1.00 61.15 H new ATOM 0 HB ILE A 86 3.961 5.345 -0.605 1.00 40.33 H new ATOM 0 HG12 ILE A 86 1.519 3.565 -0.899 1.00 42.22 H new ATOM 0 HG13 ILE A 86 3.044 3.095 -0.176 1.00 42.22 H new ATOM 0 HG21 ILE A 86 1.962 6.723 -0.522 1.00 64.04 H new ATOM 0 HG22 ILE A 86 2.837 6.962 -2.053 1.00 64.04 H new ATOM 0 HG23 ILE A 86 1.358 5.973 -2.018 1.00 64.04 H new ATOM 0 HD11 ILE A 86 1.354 3.505 1.532 1.00 23.13 H new ATOM 0 HD12 ILE A 86 2.674 4.690 1.673 1.00 23.13 H new ATOM 0 HD13 ILE A 86 1.125 5.167 0.938 1.00 23.13 H new ATOM 1398 N GLY A 87 5.394 5.743 -3.201 1.00 24.04 N ATOM 1399 CA GLY A 87 6.142 6.663 -4.035 1.00 14.14 C ATOM 1400 C GLY A 87 6.880 5.888 -5.117 1.00 71.02 C ATOM 1401 O GLY A 87 7.964 5.380 -4.856 1.00 72.01 O ATOM 0 H GLY A 87 5.887 5.478 -2.348 1.00 24.04 H new ATOM 0 HA2 GLY A 87 5.467 7.388 -4.489 1.00 14.14 H new ATOM 0 HA3 GLY A 87 6.852 7.225 -3.428 1.00 14.14 H new ATOM 1405 N TYR A 88 6.307 5.791 -6.317 1.00 73.24 N ATOM 1406 CA TYR A 88 7.016 5.362 -7.536 1.00 22.40 C ATOM 1407 C TYR A 88 6.580 6.194 -8.749 1.00 12.12 C ATOM 1408 O TYR A 88 7.386 6.569 -9.590 1.00 24.32 O ATOM 1409 CB TYR A 88 6.863 3.845 -7.767 1.00 34.42 C ATOM 1410 CG TYR A 88 7.878 3.266 -8.747 1.00 2.25 C ATOM 1411 CD1 TYR A 88 7.770 3.548 -10.121 1.00 52.31 C ATOM 1412 CD2 TYR A 88 8.950 2.464 -8.300 1.00 70.50 C ATOM 1413 CE1 TYR A 88 8.741 3.111 -11.031 1.00 55.42 C ATOM 1414 CE2 TYR A 88 9.900 1.976 -9.213 1.00 74.31 C ATOM 1415 CZ TYR A 88 9.827 2.338 -10.574 1.00 3.20 C ATOM 1416 OH TYR A 88 10.838 1.988 -11.411 1.00 12.14 O ATOM 0 H TYR A 88 5.324 6.010 -6.478 1.00 73.24 H new ATOM 0 HA TYR A 88 8.081 5.547 -7.396 1.00 22.40 H new ATOM 0 HB2 TYR A 88 6.960 3.330 -6.811 1.00 34.42 H new ATOM 0 HB3 TYR A 88 5.858 3.643 -8.138 1.00 34.42 H new ATOM 0 HD1 TYR A 88 6.922 4.112 -10.481 1.00 52.31 H new ATOM 0 HD2 TYR A 88 9.041 2.224 -7.251 1.00 70.50 H new ATOM 0 HE1 TYR A 88 8.658 3.365 -12.077 1.00 55.42 H new ATOM 0 HE2 TYR A 88 10.688 1.322 -8.871 1.00 74.31 H new ATOM 0 HH TYR A 88 11.499 1.457 -10.921 1.00 12.14 H new ATOM 1426 N VAL A 89 5.313 6.574 -8.810 1.00 73.13 N ATOM 1427 CA VAL A 89 4.656 7.168 -9.972 1.00 62.25 C ATOM 1428 C VAL A 89 3.958 8.450 -9.545 1.00 72.33 C ATOM 1429 O VAL A 89 4.235 9.503 -10.113 1.00 50.34 O ATOM 1430 CB VAL A 89 3.683 6.158 -10.617 1.00 3.11 C ATOM 1431 CG1 VAL A 89 2.946 6.770 -11.815 1.00 3.05 C ATOM 1432 CG2 VAL A 89 4.431 4.901 -11.071 1.00 71.22 C ATOM 0 H VAL A 89 4.682 6.473 -8.015 1.00 73.13 H new ATOM 0 HA VAL A 89 5.395 7.420 -10.733 1.00 62.25 H new ATOM 0 HB VAL A 89 2.948 5.890 -9.858 1.00 3.11 H new ATOM 0 HG11 VAL A 89 2.270 6.030 -12.243 1.00 3.05 H new ATOM 0 HG12 VAL A 89 2.373 7.637 -11.486 1.00 3.05 H new ATOM 0 HG13 VAL A 89 3.670 7.079 -12.569 1.00 3.05 H new ATOM 0 HG21 VAL A 89 3.727 4.202 -11.523 1.00 71.22 H new ATOM 0 HG22 VAL A 89 5.191 5.174 -11.803 1.00 71.22 H new ATOM 0 HG23 VAL A 89 4.908 4.431 -10.211 1.00 71.22 H new ATOM 1442 N THR A 90 3.170 8.404 -8.467 1.00 71.51 N ATOM 1443 CA THR A 90 2.587 9.582 -7.822 1.00 62.03 C ATOM 1444 C THR A 90 3.661 10.573 -7.325 1.00 52.12 C ATOM 1445 O THR A 90 3.288 11.639 -6.835 1.00 1.32 O ATOM 1446 CB THR A 90 1.613 9.129 -6.709 1.00 1.23 C ATOM 1447 OG1 THR A 90 1.034 10.211 -6.004 1.00 23.52 O ATOM 1448 CG2 THR A 90 2.277 8.223 -5.670 1.00 34.24 C ATOM 0 H THR A 90 2.915 7.529 -8.010 1.00 71.51 H new ATOM 0 HA THR A 90 2.015 10.143 -8.562 1.00 62.03 H new ATOM 0 HB THR A 90 0.841 8.580 -7.249 1.00 1.23 H new ATOM 0 HG1 THR A 90 1.583 11.013 -6.128 1.00 23.52 H new ATOM 0 HG21 THR A 90 1.545 7.938 -4.915 1.00 34.24 H new ATOM 0 HG22 THR A 90 2.661 7.328 -6.160 1.00 34.24 H new ATOM 0 HG23 THR A 90 3.099 8.757 -5.194 1.00 34.24 H new ATOM 1456 N HIS A 91 4.957 10.248 -7.434 1.00 10.05 N ATOM 1457 CA HIS A 91 6.064 11.175 -7.228 1.00 42.55 C ATOM 1458 C HIS A 91 7.188 11.017 -8.274 1.00 22.53 C ATOM 1459 O HIS A 91 8.167 11.763 -8.230 1.00 40.34 O ATOM 1460 CB HIS A 91 6.600 11.022 -5.798 1.00 23.13 C ATOM 1461 CG HIS A 91 6.972 12.354 -5.207 1.00 52.31 C ATOM 1462 ND1 HIS A 91 7.935 13.215 -5.684 1.00 23.53 N ATOM 1463 CD2 HIS A 91 6.340 12.967 -4.160 1.00 64.35 C ATOM 1464 CE1 HIS A 91 7.894 14.324 -4.930 1.00 34.15 C ATOM 1465 NE2 HIS A 91 6.947 14.213 -3.980 1.00 2.13 N ATOM 0 H HIS A 91 5.266 9.306 -7.675 1.00 10.05 H new ATOM 0 HA HIS A 91 5.680 12.186 -7.364 1.00 42.55 H new ATOM 0 HB2 HIS A 91 5.845 10.543 -5.174 1.00 23.13 H new ATOM 0 HB3 HIS A 91 7.472 10.368 -5.802 1.00 23.13 H new ATOM 0 HD1 HIS A 91 8.565 13.041 -6.468 1.00 23.53 H new ATOM 0 HD2 HIS A 91 5.523 12.563 -3.580 1.00 64.35 H new ATOM 0 HE1 HIS A 91 8.531 15.185 -5.066 1.00 34.15 H new ATOM 1473 N GLY A 92 7.073 10.080 -9.226 1.00 21.34 N ATOM 1474 CA GLY A 92 8.119 9.794 -10.209 1.00 33.34 C ATOM 1475 C GLY A 92 9.422 9.296 -9.579 1.00 71.22 C ATOM 1476 O GLY A 92 10.499 9.751 -9.972 1.00 12.23 O ATOM 0 H GLY A 92 6.243 9.497 -9.333 1.00 21.34 H new ATOM 0 HA2 GLY A 92 7.753 9.045 -10.911 1.00 33.34 H new ATOM 0 HA3 GLY A 92 8.324 10.697 -10.785 1.00 33.34 H new ATOM 1480 N PHE A 93 9.326 8.390 -8.600 1.00 1.43 N ATOM 1481 CA PHE A 93 10.509 7.784 -7.985 1.00 51.24 C ATOM 1482 C PHE A 93 10.973 6.568 -8.803 1.00 11.42 C ATOM 1483 O PHE A 93 10.285 6.110 -9.715 1.00 11.12 O ATOM 1484 CB PHE A 93 10.218 7.455 -6.512 1.00 34.40 C ATOM 1485 CG PHE A 93 10.048 8.647 -5.581 1.00 1.23 C ATOM 1486 CD1 PHE A 93 10.504 9.932 -5.936 1.00 51.23 C ATOM 1487 CD2 PHE A 93 9.428 8.469 -4.328 1.00 51.35 C ATOM 1488 CE1 PHE A 93 10.327 11.013 -5.069 1.00 73.51 C ATOM 1489 CE2 PHE A 93 9.221 9.566 -3.472 1.00 41.20 C ATOM 1490 CZ PHE A 93 9.670 10.844 -3.841 1.00 4.42 C ATOM 0 H PHE A 93 8.440 8.061 -8.217 1.00 1.43 H new ATOM 0 HA PHE A 93 11.339 8.490 -7.992 1.00 51.24 H new ATOM 0 HB2 PHE A 93 9.311 6.853 -6.468 1.00 34.40 H new ATOM 0 HB3 PHE A 93 11.030 6.836 -6.132 1.00 34.40 H new ATOM 0 HD1 PHE A 93 10.994 10.083 -6.886 1.00 51.23 H new ATOM 0 HD2 PHE A 93 9.109 7.483 -4.023 1.00 51.35 H new ATOM 0 HE1 PHE A 93 10.699 11.988 -5.347 1.00 73.51 H new ATOM 0 HE2 PHE A 93 8.715 9.425 -2.528 1.00 41.20 H new ATOM 0 HZ PHE A 93 9.511 11.688 -3.186 1.00 4.42 H new ATOM 1500 N ASN A 94 12.145 6.028 -8.459 1.00 71.43 N ATOM 1501 CA ASN A 94 12.620 4.723 -8.924 1.00 14.12 C ATOM 1502 C ASN A 94 12.638 3.775 -7.730 1.00 3.51 C ATOM 1503 O ASN A 94 12.483 4.208 -6.591 1.00 71.04 O ATOM 1504 CB ASN A 94 14.037 4.810 -9.528 1.00 53.33 C ATOM 1505 CG ASN A 94 14.150 5.611 -10.818 1.00 22.24 C ATOM 1506 OD1 ASN A 94 15.161 6.269 -11.049 1.00 51.23 O ATOM 1507 ND2 ASN A 94 13.175 5.564 -11.702 1.00 32.53 N ATOM 0 H ASN A 94 12.804 6.496 -7.836 1.00 71.43 H new ATOM 0 HA ASN A 94 11.951 4.364 -9.706 1.00 14.12 H new ATOM 0 HB2 ASN A 94 14.703 5.252 -8.787 1.00 53.33 H new ATOM 0 HB3 ASN A 94 14.396 3.798 -9.716 1.00 53.33 H new ATOM 0 HD21 ASN A 94 13.258 6.075 -12.581 1.00 32.53 H new ATOM 0 HD22 ASN A 94 12.336 5.017 -11.508 1.00 32.53 H new ATOM 1514 N LEU A 95 12.888 2.490 -7.979 1.00 44.32 N ATOM 1515 CA LEU A 95 12.815 1.382 -7.023 1.00 73.33 C ATOM 1516 C LEU A 95 13.580 1.631 -5.710 1.00 73.42 C ATOM 1517 O LEU A 95 13.145 1.156 -4.663 1.00 52.34 O ATOM 1518 CB LEU A 95 13.285 0.102 -7.761 1.00 21.53 C ATOM 1519 CG LEU A 95 12.702 -1.268 -7.342 1.00 44.04 C ATOM 1520 CD1 LEU A 95 13.411 -1.932 -6.161 1.00 21.01 C ATOM 1521 CD2 LEU A 95 11.187 -1.251 -7.114 1.00 5.15 C ATOM 0 H LEU A 95 13.164 2.174 -8.909 1.00 44.32 H new ATOM 0 HA LEU A 95 11.784 1.270 -6.688 1.00 73.33 H new ATOM 0 HB2 LEU A 95 13.073 0.238 -8.821 1.00 21.53 H new ATOM 0 HB3 LEU A 95 14.368 0.043 -7.658 1.00 21.53 H new ATOM 0 HG LEU A 95 12.901 -1.889 -8.215 1.00 44.04 H new ATOM 0 HD11 LEU A 95 12.933 -2.886 -5.940 1.00 21.01 H new ATOM 0 HD12 LEU A 95 14.458 -2.100 -6.413 1.00 21.01 H new ATOM 0 HD13 LEU A 95 13.348 -1.283 -5.287 1.00 21.01 H new ATOM 0 HD21 LEU A 95 10.852 -2.246 -6.823 1.00 5.15 H new ATOM 0 HD22 LEU A 95 10.946 -0.541 -6.323 1.00 5.15 H new ATOM 0 HD23 LEU A 95 10.684 -0.953 -8.034 1.00 5.15 H new ATOM 1533 N GLU A 96 14.679 2.391 -5.733 1.00 1.41 N ATOM 1534 CA GLU A 96 15.508 2.656 -4.561 1.00 3.31 C ATOM 1535 C GLU A 96 14.874 3.742 -3.695 1.00 12.25 C ATOM 1536 O GLU A 96 14.722 3.579 -2.487 1.00 74.03 O ATOM 1537 CB GLU A 96 16.893 3.064 -5.070 1.00 45.44 C ATOM 1538 CG GLU A 96 17.884 3.471 -3.970 1.00 23.31 C ATOM 1539 CD GLU A 96 19.350 3.333 -4.411 1.00 72.40 C ATOM 1540 OE1 GLU A 96 19.627 3.220 -5.630 1.00 52.32 O ATOM 1541 OE2 GLU A 96 20.220 3.273 -3.512 1.00 1.02 O ATOM 0 H GLU A 96 15.020 2.845 -6.581 1.00 1.41 H new ATOM 0 HA GLU A 96 15.595 1.772 -3.930 1.00 3.31 H new ATOM 0 HB2 GLU A 96 17.318 2.233 -5.634 1.00 45.44 H new ATOM 0 HB3 GLU A 96 16.780 3.896 -5.765 1.00 45.44 H new ATOM 0 HG2 GLU A 96 17.692 4.504 -3.678 1.00 23.31 H new ATOM 0 HG3 GLU A 96 17.715 2.854 -3.088 1.00 23.31 H new ATOM 1548 N GLU A 97 14.453 4.837 -4.321 1.00 44.53 N ATOM 1549 CA GLU A 97 13.717 5.929 -3.700 1.00 15.22 C ATOM 1550 C GLU A 97 12.406 5.398 -3.121 1.00 53.31 C ATOM 1551 O GLU A 97 12.059 5.658 -1.968 1.00 10.01 O ATOM 1552 CB GLU A 97 13.469 6.987 -4.776 1.00 60.30 C ATOM 1553 CG GLU A 97 14.733 7.807 -5.036 1.00 1.32 C ATOM 1554 CD GLU A 97 14.868 8.960 -4.029 1.00 22.40 C ATOM 1555 OE1 GLU A 97 13.896 9.720 -3.823 1.00 53.03 O ATOM 1556 OE2 GLU A 97 15.928 9.055 -3.375 1.00 44.12 O ATOM 0 H GLU A 97 14.623 4.992 -5.315 1.00 44.53 H new ATOM 0 HA GLU A 97 14.280 6.373 -2.878 1.00 15.22 H new ATOM 0 HB2 GLU A 97 13.147 6.504 -5.699 1.00 60.30 H new ATOM 0 HB3 GLU A 97 12.660 7.647 -4.463 1.00 60.30 H new ATOM 0 HG2 GLU A 97 15.608 7.160 -4.971 1.00 1.32 H new ATOM 0 HG3 GLU A 97 14.707 8.208 -6.049 1.00 1.32 H new ATOM 1563 N ALA A 98 11.708 4.587 -3.913 1.00 1.21 N ATOM 1564 CA ALA A 98 10.487 3.906 -3.544 1.00 72.51 C ATOM 1565 C ALA A 98 10.673 3.042 -2.292 1.00 64.23 C ATOM 1566 O ALA A 98 9.758 2.984 -1.466 1.00 0.43 O ATOM 1567 CB ALA A 98 10.024 3.075 -4.744 1.00 55.22 C ATOM 0 H ALA A 98 11.998 4.383 -4.870 1.00 1.21 H new ATOM 0 HA ALA A 98 9.722 4.639 -3.288 1.00 72.51 H new ATOM 0 HB1 ALA A 98 9.103 2.551 -4.490 1.00 55.22 H new ATOM 0 HB2 ALA A 98 9.844 3.733 -5.594 1.00 55.22 H new ATOM 0 HB3 ALA A 98 10.795 2.349 -5.003 1.00 55.22 H new ATOM 1573 N ALA A 99 11.827 2.382 -2.142 1.00 43.04 N ATOM 1574 CA ALA A 99 12.190 1.606 -0.962 1.00 61.52 C ATOM 1575 C ALA A 99 12.530 2.509 0.224 1.00 53.22 C ATOM 1576 O ALA A 99 11.967 2.341 1.306 1.00 34.51 O ATOM 1577 CB ALA A 99 13.347 0.659 -1.297 1.00 23.42 C ATOM 0 H ALA A 99 12.551 2.376 -2.861 1.00 43.04 H new ATOM 0 HA ALA A 99 11.328 1.009 -0.664 1.00 61.52 H new ATOM 0 HB1 ALA A 99 13.613 0.082 -0.411 1.00 23.42 H new ATOM 0 HB2 ALA A 99 13.043 -0.020 -2.094 1.00 23.42 H new ATOM 0 HB3 ALA A 99 14.209 1.240 -1.625 1.00 23.42 H new ATOM 1583 N ARG A 100 13.442 3.470 0.051 1.00 44.12 N ATOM 1584 CA ARG A 100 13.921 4.306 1.156 1.00 61.12 C ATOM 1585 C ARG A 100 12.818 5.210 1.709 1.00 71.23 C ATOM 1586 O ARG A 100 12.857 5.565 2.889 1.00 35.24 O ATOM 1587 CB ARG A 100 15.216 5.030 0.748 1.00 14.21 C ATOM 1588 CG ARG A 100 15.083 6.323 -0.064 1.00 5.24 C ATOM 1589 CD ARG A 100 16.398 6.601 -0.819 1.00 73.33 C ATOM 1590 NE ARG A 100 16.666 8.041 -0.933 1.00 3.33 N ATOM 1591 CZ ARG A 100 17.467 8.767 -0.145 1.00 72.24 C ATOM 1592 NH1 ARG A 100 18.262 8.182 0.745 1.00 52.41 N ATOM 1593 NH2 ARG A 100 17.470 10.089 -0.239 1.00 65.12 N ATOM 0 H ARG A 100 13.866 3.689 -0.850 1.00 44.12 H new ATOM 0 HA ARG A 100 14.187 3.673 2.003 1.00 61.12 H new ATOM 0 HB2 ARG A 100 15.772 5.260 1.657 1.00 14.21 H new ATOM 0 HB3 ARG A 100 15.823 4.332 0.171 1.00 14.21 H new ATOM 0 HG2 ARG A 100 14.258 6.236 -0.771 1.00 5.24 H new ATOM 0 HG3 ARG A 100 14.849 7.157 0.598 1.00 5.24 H new ATOM 0 HD2 ARG A 100 17.225 6.117 -0.299 1.00 73.33 H new ATOM 0 HD3 ARG A 100 16.346 6.161 -1.815 1.00 73.33 H new ATOM 0 HE ARG A 100 16.194 8.537 -1.689 1.00 3.33 H new ATOM 0 HH11 ARG A 100 18.267 7.166 0.834 1.00 52.41 H new ATOM 0 HH12 ARG A 100 18.867 8.749 1.339 1.00 52.41 H new ATOM 0 HH21 ARG A 100 16.861 10.554 -0.913 1.00 65.12 H new ATOM 0 HH22 ARG A 100 18.081 10.642 0.362 1.00 65.12 H new ATOM 1607 N CYS A 101 11.799 5.503 0.896 1.00 43.13 N ATOM 1608 CA CYS A 101 10.494 5.960 1.336 1.00 61.12 C ATOM 1609 C CYS A 101 9.869 4.961 2.311 1.00 52.25 C ATOM 1610 O CYS A 101 9.758 5.288 3.491 1.00 22.44 O ATOM 1611 CB CYS A 101 9.583 6.185 0.128 1.00 44.32 C ATOM 1612 SG CYS A 101 9.933 7.792 -0.612 1.00 11.52 S ATOM 0 H CYS A 101 11.870 5.423 -0.118 1.00 43.13 H new ATOM 0 HA CYS A 101 10.615 6.907 1.862 1.00 61.12 H new ATOM 0 HB2 CYS A 101 9.737 5.395 -0.607 1.00 44.32 H new ATOM 0 HB3 CYS A 101 8.538 6.136 0.435 1.00 44.32 H new ATOM 0 HG CYS A 101 9.502 7.808 -1.838 1.00 11.52 H new ATOM 1618 N MET A 102 9.449 3.778 1.842 1.00 5.03 N ATOM 1619 CA MET A 102 8.656 2.831 2.635 1.00 13.50 C ATOM 1620 C MET A 102 9.346 2.469 3.951 1.00 51.33 C ATOM 1621 O MET A 102 8.674 2.435 4.985 1.00 21.31 O ATOM 1622 CB MET A 102 8.343 1.552 1.845 1.00 44.51 C ATOM 1623 CG MET A 102 7.417 1.760 0.647 1.00 65.21 C ATOM 1624 SD MET A 102 5.764 2.419 0.980 1.00 73.32 S ATOM 1625 CE MET A 102 5.028 0.989 1.825 1.00 63.22 C ATOM 0 H MET A 102 9.651 3.450 0.897 1.00 5.03 H new ATOM 0 HA MET A 102 7.718 3.336 2.866 1.00 13.50 H new ATOM 0 HB2 MET A 102 9.279 1.118 1.494 1.00 44.51 H new ATOM 0 HB3 MET A 102 7.888 0.826 2.519 1.00 44.51 H new ATOM 0 HG2 MET A 102 7.914 2.434 -0.051 1.00 65.21 H new ATOM 0 HG3 MET A 102 7.302 0.802 0.139 1.00 65.21 H new ATOM 0 HE1 MET A 102 3.984 1.201 2.057 1.00 63.22 H new ATOM 0 HE2 MET A 102 5.086 0.114 1.177 1.00 63.22 H new ATOM 0 HE3 MET A 102 5.572 0.793 2.749 1.00 63.22 H new ATOM 1635 N ARG A 103 10.677 2.300 3.947 1.00 24.31 N ATOM 1636 CA ARG A 103 11.478 1.958 5.129 1.00 12.33 C ATOM 1637 C ARG A 103 11.140 2.863 6.331 1.00 12.41 C ATOM 1638 O ARG A 103 11.222 2.438 7.484 1.00 41.03 O ATOM 1639 CB ARG A 103 12.969 2.090 4.775 1.00 72.03 C ATOM 1640 CG ARG A 103 13.900 1.631 5.913 1.00 5.12 C ATOM 1641 CD ARG A 103 15.335 2.042 5.604 1.00 53.22 C ATOM 1642 NE ARG A 103 16.259 1.670 6.682 1.00 63.31 N ATOM 1643 CZ ARG A 103 17.435 2.262 6.923 1.00 41.33 C ATOM 1644 NH1 ARG A 103 17.874 3.253 6.152 1.00 4.24 N ATOM 1645 NH2 ARG A 103 18.153 1.860 7.957 1.00 11.21 N ATOM 0 H ARG A 103 11.238 2.400 3.101 1.00 24.31 H new ATOM 0 HA ARG A 103 11.246 0.933 5.418 1.00 12.33 H new ATOM 0 HB2 ARG A 103 13.178 1.501 3.882 1.00 72.03 H new ATOM 0 HB3 ARG A 103 13.188 3.129 4.530 1.00 72.03 H new ATOM 0 HG2 ARG A 103 13.581 2.073 6.857 1.00 5.12 H new ATOM 0 HG3 ARG A 103 13.839 0.549 6.031 1.00 5.12 H new ATOM 0 HD2 ARG A 103 15.655 1.571 4.674 1.00 53.22 H new ATOM 0 HD3 ARG A 103 15.377 3.120 5.446 1.00 53.22 H new ATOM 0 HE ARG A 103 15.984 0.902 7.294 1.00 63.31 H new ATOM 0 HH11 ARG A 103 17.312 3.573 5.363 1.00 4.24 H new ATOM 0 HH12 ARG A 103 18.773 3.693 6.350 1.00 4.24 H new ATOM 0 HH21 ARG A 103 17.809 1.110 8.556 1.00 11.21 H new ATOM 0 HH22 ARG A 103 19.052 2.300 8.156 1.00 11.21 H new ATOM 1659 N SER A 104 10.792 4.127 6.068 1.00 34.11 N ATOM 1660 CA SER A 104 10.527 5.161 7.065 1.00 14.12 C ATOM 1661 C SER A 104 9.365 4.807 8.004 1.00 4.42 C ATOM 1662 O SER A 104 9.330 5.284 9.144 1.00 42.01 O ATOM 1663 CB SER A 104 10.186 6.475 6.344 1.00 25.12 C ATOM 1664 OG SER A 104 11.069 6.744 5.268 1.00 32.35 O ATOM 0 H SER A 104 10.684 4.468 5.113 1.00 34.11 H new ATOM 0 HA SER A 104 11.426 5.255 7.674 1.00 14.12 H new ATOM 0 HB2 SER A 104 9.164 6.426 5.969 1.00 25.12 H new ATOM 0 HB3 SER A 104 10.224 7.299 7.057 1.00 25.12 H new ATOM 0 HG SER A 104 10.724 6.329 4.450 1.00 32.35 H new ATOM 1670 N LEU A 105 8.395 4.027 7.525 1.00 75.14 N ATOM 1671 CA LEU A 105 7.234 3.595 8.289 1.00 53.55 C ATOM 1672 C LEU A 105 7.675 2.505 9.253 1.00 53.03 C ATOM 1673 O LEU A 105 8.222 1.497 8.805 1.00 12.53 O ATOM 1674 CB LEU A 105 6.176 3.081 7.303 1.00 3.55 C ATOM 1675 CG LEU A 105 4.870 2.585 7.931 1.00 74.15 C ATOM 1676 CD1 LEU A 105 4.249 3.568 8.924 1.00 1.24 C ATOM 1677 CD2 LEU A 105 3.877 2.359 6.792 1.00 10.13 C ATOM 0 H LEU A 105 8.400 3.671 6.569 1.00 75.14 H new ATOM 0 HA LEU A 105 6.803 4.413 8.867 1.00 53.55 H new ATOM 0 HB2 LEU A 105 5.940 3.881 6.602 1.00 3.55 H new ATOM 0 HB3 LEU A 105 6.611 2.267 6.723 1.00 3.55 H new ATOM 0 HG LEU A 105 5.095 1.678 8.492 1.00 74.15 H new ATOM 0 HD11 LEU A 105 3.328 3.146 9.326 1.00 1.24 H new ATOM 0 HD12 LEU A 105 4.949 3.753 9.739 1.00 1.24 H new ATOM 0 HD13 LEU A 105 4.027 4.507 8.416 1.00 1.24 H new ATOM 0 HD21 LEU A 105 2.930 2.004 7.200 1.00 10.13 H new ATOM 0 HD22 LEU A 105 3.714 3.296 6.260 1.00 10.13 H new ATOM 0 HD23 LEU A 105 4.277 1.615 6.103 1.00 10.13 H new ATOM 1689 N LYS A 106 7.464 2.696 10.558 1.00 41.31 N ATOM 1690 CA LYS A 106 7.910 1.710 11.535 1.00 71.01 C ATOM 1691 C LYS A 106 7.059 0.447 11.480 1.00 74.15 C ATOM 1692 O LYS A 106 7.629 -0.641 11.459 1.00 25.12 O ATOM 1693 CB LYS A 106 7.944 2.292 12.950 1.00 33.13 C ATOM 1694 CG LYS A 106 8.880 3.507 13.021 1.00 12.31 C ATOM 1695 CD LYS A 106 9.522 3.627 14.404 1.00 62.41 C ATOM 1696 CE LYS A 106 10.698 4.605 14.390 1.00 33.14 C ATOM 1697 NZ LYS A 106 10.279 5.985 14.080 1.00 74.32 N ATOM 0 H LYS A 106 6.995 3.511 10.954 1.00 41.31 H new ATOM 0 HA LYS A 106 8.931 1.434 11.270 1.00 71.01 H new ATOM 0 HB2 LYS A 106 6.938 2.585 13.251 1.00 33.13 H new ATOM 0 HB3 LYS A 106 8.278 1.529 13.653 1.00 33.13 H new ATOM 0 HG2 LYS A 106 9.657 3.416 12.262 1.00 12.31 H new ATOM 0 HG3 LYS A 106 8.320 4.415 12.796 1.00 12.31 H new ATOM 0 HD2 LYS A 106 8.777 3.962 15.125 1.00 62.41 H new ATOM 0 HD3 LYS A 106 9.866 2.647 14.734 1.00 62.41 H new ATOM 0 HE2 LYS A 106 11.193 4.588 15.361 1.00 33.14 H new ATOM 0 HE3 LYS A 106 11.431 4.277 13.653 1.00 33.14 H new ATOM 0 HZ1 LYS A 106 11.103 6.618 14.132 1.00 74.32 H new ATOM 0 HZ2 LYS A 106 9.877 6.019 13.122 1.00 74.32 H new ATOM 0 HZ3 LYS A 106 9.562 6.293 14.767 1.00 74.32 H new ATOM 1711 N ALA A 107 5.730 0.593 11.433 1.00 61.33 N ATOM 1712 CA ALA A 107 4.827 -0.551 11.405 1.00 23.10 C ATOM 1713 C ALA A 107 5.061 -1.368 10.122 1.00 1.44 C ATOM 1714 O ALA A 107 5.304 -0.767 9.072 1.00 3.11 O ATOM 1715 CB ALA A 107 3.384 -0.048 11.485 1.00 31.03 C ATOM 0 H ALA A 107 5.260 1.498 11.414 1.00 61.33 H new ATOM 0 HA ALA A 107 5.019 -1.203 12.257 1.00 23.10 H new ATOM 0 HB1 ALA A 107 2.701 -0.897 11.465 1.00 31.03 H new ATOM 0 HB2 ALA A 107 3.244 0.509 12.412 1.00 31.03 H new ATOM 0 HB3 ALA A 107 3.178 0.604 10.636 1.00 31.03 H new ATOM 1721 N PRO A 108 4.957 -2.706 10.155 1.00 2.25 N ATOM 1722 CA PRO A 108 5.359 -3.565 9.051 1.00 45.40 C ATOM 1723 C PRO A 108 4.327 -3.512 7.921 1.00 33.04 C ATOM 1724 O PRO A 108 3.268 -4.137 7.997 1.00 72.51 O ATOM 1725 CB PRO A 108 5.527 -4.963 9.656 1.00 42.21 C ATOM 1726 CG PRO A 108 4.565 -4.955 10.842 1.00 24.22 C ATOM 1727 CD PRO A 108 4.601 -3.503 11.314 1.00 3.05 C ATOM 0 HA PRO A 108 6.293 -3.246 8.589 1.00 45.40 H new ATOM 0 HB2 PRO A 108 5.274 -5.744 8.939 1.00 42.21 H new ATOM 0 HB3 PRO A 108 6.554 -5.142 9.973 1.00 42.21 H new ATOM 0 HG2 PRO A 108 3.560 -5.257 10.547 1.00 24.22 H new ATOM 0 HG3 PRO A 108 4.887 -5.641 11.626 1.00 24.22 H new ATOM 0 HD2 PRO A 108 3.633 -3.200 11.712 1.00 3.05 H new ATOM 0 HD3 PRO A 108 5.329 -3.372 12.114 1.00 3.05 H new ATOM 1735 N ALA A 109 4.630 -2.759 6.865 1.00 35.33 N ATOM 1736 CA ALA A 109 3.965 -2.884 5.589 1.00 0.33 C ATOM 1737 C ALA A 109 4.639 -4.026 4.866 1.00 41.33 C ATOM 1738 O ALA A 109 5.791 -3.898 4.459 1.00 31.33 O ATOM 1739 CB ALA A 109 4.042 -1.581 4.796 1.00 63.44 C ATOM 0 H ALA A 109 5.353 -2.040 6.881 1.00 35.33 H new ATOM 0 HA ALA A 109 2.902 -3.088 5.716 1.00 0.33 H new ATOM 0 HB1 ALA A 109 3.533 -1.706 3.840 1.00 63.44 H new ATOM 0 HB2 ALA A 109 3.562 -0.782 5.361 1.00 63.44 H new ATOM 0 HB3 ALA A 109 5.086 -1.324 4.620 1.00 63.44 H new ATOM 1745 N VAL A 110 3.934 -5.139 4.725 1.00 10.10 N ATOM 1746 CA VAL A 110 4.259 -6.135 3.722 1.00 2.33 C ATOM 1747 C VAL A 110 4.194 -5.423 2.377 1.00 15.20 C ATOM 1748 O VAL A 110 3.232 -4.694 2.115 1.00 52.05 O ATOM 1749 CB VAL A 110 3.304 -7.338 3.787 1.00 4.42 C ATOM 1750 CG1 VAL A 110 3.706 -8.431 2.783 1.00 40.54 C ATOM 1751 CG2 VAL A 110 3.321 -7.955 5.188 1.00 22.12 C ATOM 0 H VAL A 110 3.125 -5.374 5.301 1.00 10.10 H new ATOM 0 HA VAL A 110 5.253 -6.551 3.889 1.00 2.33 H new ATOM 0 HB VAL A 110 2.308 -6.969 3.542 1.00 4.42 H new ATOM 0 HG11 VAL A 110 3.009 -9.266 2.856 1.00 40.54 H new ATOM 0 HG12 VAL A 110 3.680 -8.024 1.772 1.00 40.54 H new ATOM 0 HG13 VAL A 110 4.714 -8.779 3.008 1.00 40.54 H new ATOM 0 HG21 VAL A 110 2.640 -8.806 5.219 1.00 22.12 H new ATOM 0 HG22 VAL A 110 4.331 -8.289 5.426 1.00 22.12 H new ATOM 0 HG23 VAL A 110 3.004 -7.210 5.918 1.00 22.12 H new ATOM 1761 N VAL A 111 5.209 -5.613 1.540 1.00 1.11 N ATOM 1762 CA VAL A 111 5.260 -4.911 0.263 1.00 63.43 C ATOM 1763 C VAL A 111 5.779 -5.817 -0.855 1.00 43.12 C ATOM 1764 O VAL A 111 6.493 -6.785 -0.583 1.00 32.41 O ATOM 1765 CB VAL A 111 5.860 -3.495 0.459 1.00 71.54 C ATOM 1766 CG1 VAL A 111 7.165 -3.505 1.256 1.00 74.45 C ATOM 1767 CG2 VAL A 111 6.005 -2.667 -0.823 1.00 11.21 C ATOM 0 H VAL A 111 5.996 -6.237 1.719 1.00 1.11 H new ATOM 0 HA VAL A 111 4.268 -4.681 -0.126 1.00 63.43 H new ATOM 0 HB VAL A 111 5.104 -2.983 1.054 1.00 71.54 H new ATOM 0 HG11 VAL A 111 7.536 -2.485 1.360 1.00 74.45 H new ATOM 0 HG12 VAL A 111 6.985 -3.928 2.244 1.00 74.45 H new ATOM 0 HG13 VAL A 111 7.906 -4.109 0.733 1.00 74.45 H new ATOM 0 HG21 VAL A 111 6.433 -1.694 -0.581 1.00 11.21 H new ATOM 0 HG22 VAL A 111 6.660 -3.188 -1.521 1.00 11.21 H new ATOM 0 HG23 VAL A 111 5.025 -2.529 -1.280 1.00 11.21 H new ATOM 1777 N SER A 112 5.312 -5.583 -2.090 1.00 42.25 N ATOM 1778 CA SER A 112 5.574 -6.430 -3.251 1.00 51.42 C ATOM 1779 C SER A 112 6.195 -5.651 -4.413 1.00 75.52 C ATOM 1780 O SER A 112 5.943 -4.454 -4.562 1.00 5.32 O ATOM 1781 CB SER A 112 4.285 -7.108 -3.725 1.00 43.21 C ATOM 1782 OG SER A 112 3.781 -7.968 -2.724 1.00 0.11 O ATOM 0 H SER A 112 4.727 -4.777 -2.309 1.00 42.25 H new ATOM 0 HA SER A 112 6.293 -7.185 -2.931 1.00 51.42 H new ATOM 0 HB2 SER A 112 3.540 -6.352 -3.972 1.00 43.21 H new ATOM 0 HB3 SER A 112 4.479 -7.675 -4.636 1.00 43.21 H new ATOM 0 HG SER A 112 4.354 -7.918 -1.931 1.00 0.11 H new ATOM 1788 N VAL A 113 6.943 -6.364 -5.257 1.00 74.23 N ATOM 1789 CA VAL A 113 7.515 -5.923 -6.532 1.00 34.12 C ATOM 1790 C VAL A 113 6.873 -6.719 -7.679 1.00 5.33 C ATOM 1791 O VAL A 113 6.178 -7.709 -7.451 1.00 53.34 O ATOM 1792 CB VAL A 113 9.041 -6.178 -6.559 1.00 42.21 C ATOM 1793 CG1 VAL A 113 9.862 -5.153 -5.781 1.00 44.40 C ATOM 1794 CG2 VAL A 113 9.379 -7.584 -6.053 1.00 1.51 C ATOM 0 H VAL A 113 7.182 -7.334 -5.053 1.00 74.23 H new ATOM 0 HA VAL A 113 7.322 -4.856 -6.647 1.00 34.12 H new ATOM 0 HB VAL A 113 9.320 -6.078 -7.608 1.00 42.21 H new ATOM 0 HG11 VAL A 113 10.920 -5.405 -5.851 1.00 44.40 H new ATOM 0 HG12 VAL A 113 9.697 -4.161 -6.201 1.00 44.40 H new ATOM 0 HG13 VAL A 113 9.556 -5.160 -4.735 1.00 44.40 H new ATOM 0 HG21 VAL A 113 10.458 -7.732 -6.084 1.00 1.51 H new ATOM 0 HG22 VAL A 113 9.027 -7.696 -5.028 1.00 1.51 H new ATOM 0 HG23 VAL A 113 8.892 -8.325 -6.687 1.00 1.51 H new ATOM 1804 N SER A 114 7.201 -6.349 -8.918 1.00 31.55 N ATOM 1805 CA SER A 114 6.759 -6.998 -10.141 1.00 4.42 C ATOM 1806 C SER A 114 7.529 -8.290 -10.480 1.00 45.23 C ATOM 1807 O SER A 114 7.413 -8.752 -11.613 1.00 55.44 O ATOM 1808 CB SER A 114 6.860 -5.979 -11.290 1.00 53.44 C ATOM 1809 OG SER A 114 5.945 -4.906 -11.127 1.00 75.21 O ATOM 0 H SER A 114 7.810 -5.551 -9.098 1.00 31.55 H new ATOM 0 HA SER A 114 5.728 -7.319 -9.993 1.00 4.42 H new ATOM 0 HB2 SER A 114 7.876 -5.586 -11.339 1.00 53.44 H new ATOM 0 HB3 SER A 114 6.666 -6.480 -12.238 1.00 53.44 H new ATOM 0 HG SER A 114 6.040 -4.279 -11.874 1.00 75.21 H new ATOM 1815 N SER A 115 8.339 -8.890 -9.599 1.00 3.55 N ATOM 1816 CA SER A 115 8.992 -10.179 -9.857 1.00 32.42 C ATOM 1817 C SER A 115 9.495 -10.792 -8.547 1.00 1.45 C ATOM 1818 O SER A 115 10.007 -10.042 -7.722 1.00 13.31 O ATOM 1819 CB SER A 115 10.211 -9.977 -10.766 1.00 54.41 C ATOM 1820 OG SER A 115 9.829 -9.838 -12.121 1.00 4.24 O ATOM 0 H SER A 115 8.560 -8.494 -8.685 1.00 3.55 H new ATOM 0 HA SER A 115 8.261 -10.836 -10.330 1.00 32.42 H new ATOM 0 HB2 SER A 115 10.760 -9.090 -10.449 1.00 54.41 H new ATOM 0 HB3 SER A 115 10.888 -10.825 -10.663 1.00 54.41 H new ATOM 0 HG SER A 115 8.904 -9.518 -12.169 1.00 4.24 H new ATOM 1826 N PRO A 116 9.470 -12.128 -8.367 1.00 23.41 N ATOM 1827 CA PRO A 116 10.054 -12.802 -7.202 1.00 32.14 C ATOM 1828 C PRO A 116 11.545 -12.495 -7.058 1.00 32.34 C ATOM 1829 O PRO A 116 12.070 -12.365 -5.956 1.00 32.41 O ATOM 1830 CB PRO A 116 9.797 -14.296 -7.415 1.00 32.20 C ATOM 1831 CG PRO A 116 9.686 -14.422 -8.932 1.00 71.25 C ATOM 1832 CD PRO A 116 9.018 -13.111 -9.337 1.00 41.13 C ATOM 0 HA PRO A 116 9.601 -12.453 -6.274 1.00 32.14 H new ATOM 0 HB2 PRO A 116 10.611 -14.904 -7.020 1.00 32.20 H new ATOM 0 HB3 PRO A 116 8.884 -14.622 -6.917 1.00 32.20 H new ATOM 0 HG2 PRO A 116 10.664 -14.538 -9.400 1.00 71.25 H new ATOM 0 HG3 PRO A 116 9.089 -15.286 -9.223 1.00 71.25 H new ATOM 0 HD2 PRO A 116 9.302 -12.823 -10.349 1.00 41.13 H new ATOM 0 HD3 PRO A 116 7.932 -13.204 -9.325 1.00 41.13 H new ATOM 1840 N ASP A 117 12.238 -12.322 -8.173 1.00 72.31 N ATOM 1841 CA ASP A 117 13.655 -12.012 -8.194 1.00 11.55 C ATOM 1842 C ASP A 117 13.978 -10.644 -7.593 1.00 72.13 C ATOM 1843 O ASP A 117 14.984 -10.504 -6.901 1.00 11.04 O ATOM 1844 CB ASP A 117 14.067 -12.082 -9.658 1.00 44.42 C ATOM 1845 CG ASP A 117 15.533 -11.738 -9.863 1.00 2.44 C ATOM 1846 OD1 ASP A 117 16.363 -12.646 -9.629 1.00 15.15 O ATOM 1847 OD2 ASP A 117 15.815 -10.611 -10.337 1.00 51.43 O ATOM 0 H ASP A 117 11.823 -12.395 -9.102 1.00 72.31 H new ATOM 0 HA ASP A 117 14.207 -12.720 -7.576 1.00 11.55 H new ATOM 0 HB2 ASP A 117 13.875 -13.085 -10.039 1.00 44.42 H new ATOM 0 HB3 ASP A 117 13.451 -11.396 -10.240 1.00 44.42 H new ATOM 1852 N ALA A 118 13.098 -9.660 -7.797 1.00 62.05 N ATOM 1853 CA ALA A 118 13.301 -8.283 -7.362 1.00 73.10 C ATOM 1854 C ALA A 118 12.948 -8.092 -5.881 1.00 20.25 C ATOM 1855 O ALA A 118 13.149 -7.008 -5.335 1.00 61.23 O ATOM 1856 CB ALA A 118 12.501 -7.343 -8.272 1.00 74.24 C ATOM 0 H ALA A 118 12.210 -9.805 -8.278 1.00 62.05 H new ATOM 0 HA ALA A 118 14.359 -8.037 -7.449 1.00 73.10 H new ATOM 0 HB1 ALA A 118 12.649 -6.312 -7.951 1.00 74.24 H new ATOM 0 HB2 ALA A 118 12.842 -7.455 -9.301 1.00 74.24 H new ATOM 0 HB3 ALA A 118 11.442 -7.593 -8.212 1.00 74.24 H new ATOM 1862 N VAL A 119 12.419 -9.125 -5.217 1.00 52.42 N ATOM 1863 CA VAL A 119 12.002 -9.083 -3.819 1.00 64.54 C ATOM 1864 C VAL A 119 13.217 -8.765 -2.954 1.00 61.32 C ATOM 1865 O VAL A 119 13.160 -7.868 -2.109 1.00 5.11 O ATOM 1866 CB VAL A 119 11.331 -10.425 -3.454 1.00 72.04 C ATOM 1867 CG1 VAL A 119 10.810 -10.505 -2.014 1.00 5.21 C ATOM 1868 CG2 VAL A 119 10.092 -10.618 -4.318 1.00 73.03 C ATOM 0 H VAL A 119 12.267 -10.035 -5.652 1.00 52.42 H new ATOM 0 HA VAL A 119 11.265 -8.299 -3.644 1.00 64.54 H new ATOM 0 HB VAL A 119 12.110 -11.173 -3.601 1.00 72.04 H new ATOM 0 HG11 VAL A 119 10.355 -11.481 -1.845 1.00 5.21 H new ATOM 0 HG12 VAL A 119 11.638 -10.366 -1.319 1.00 5.21 H new ATOM 0 HG13 VAL A 119 10.066 -9.725 -1.852 1.00 5.21 H new ATOM 0 HG21 VAL A 119 9.615 -11.564 -4.064 1.00 73.03 H new ATOM 0 HG22 VAL A 119 9.394 -9.800 -4.140 1.00 73.03 H new ATOM 0 HG23 VAL A 119 10.379 -10.628 -5.369 1.00 73.03 H new ATOM 1878 N THR A 120 14.327 -9.461 -3.200 1.00 4.32 N ATOM 1879 CA THR A 120 15.568 -9.150 -2.516 1.00 41.30 C ATOM 1880 C THR A 120 16.140 -7.813 -2.980 1.00 50.31 C ATOM 1881 O THR A 120 16.607 -7.064 -2.129 1.00 33.11 O ATOM 1882 CB THR A 120 16.529 -10.325 -2.668 1.00 63.21 C ATOM 1883 OG1 THR A 120 15.991 -11.365 -1.870 1.00 53.11 O ATOM 1884 CG2 THR A 120 17.939 -9.988 -2.188 1.00 64.33 C ATOM 0 H THR A 120 14.386 -10.235 -3.862 1.00 4.32 H new ATOM 0 HA THR A 120 15.386 -9.018 -1.449 1.00 41.30 H new ATOM 0 HB THR A 120 16.622 -10.601 -3.718 1.00 63.21 H new ATOM 0 HG1 THR A 120 16.569 -12.155 -1.929 1.00 53.11 H new ATOM 0 HG21 THR A 120 18.585 -10.857 -2.317 1.00 64.33 H new ATOM 0 HG22 THR A 120 18.332 -9.154 -2.770 1.00 64.33 H new ATOM 0 HG23 THR A 120 17.908 -9.712 -1.134 1.00 64.33 H new ATOM 1892 N THR A 121 16.071 -7.475 -4.267 1.00 52.42 N ATOM 1893 CA THR A 121 16.596 -6.220 -4.795 1.00 23.51 C ATOM 1894 C THR A 121 15.999 -5.025 -4.045 1.00 75.24 C ATOM 1895 O THR A 121 16.724 -4.123 -3.628 1.00 23.34 O ATOM 1896 CB THR A 121 16.314 -6.179 -6.305 1.00 51.43 C ATOM 1897 OG1 THR A 121 16.697 -7.425 -6.861 1.00 14.31 O ATOM 1898 CG2 THR A 121 17.070 -5.042 -6.990 1.00 11.03 C ATOM 0 H THR A 121 15.645 -8.071 -4.977 1.00 52.42 H new ATOM 0 HA THR A 121 17.674 -6.158 -4.643 1.00 23.51 H new ATOM 0 HB THR A 121 15.251 -5.998 -6.464 1.00 51.43 H new ATOM 0 HG1 THR A 121 16.523 -7.420 -7.825 1.00 14.31 H new ATOM 0 HG21 THR A 121 16.845 -5.046 -8.056 1.00 11.03 H new ATOM 0 HG22 THR A 121 16.764 -4.089 -6.558 1.00 11.03 H new ATOM 0 HG23 THR A 121 18.142 -5.178 -6.845 1.00 11.03 H new ATOM 1906 N TYR A 122 14.683 -5.050 -3.816 1.00 32.34 N ATOM 1907 CA TYR A 122 13.981 -4.041 -3.044 1.00 64.44 C ATOM 1908 C TYR A 122 14.549 -3.966 -1.627 1.00 52.53 C ATOM 1909 O TYR A 122 14.995 -2.899 -1.208 1.00 52.41 O ATOM 1910 CB TYR A 122 12.487 -4.367 -3.036 1.00 33.22 C ATOM 1911 CG TYR A 122 11.632 -3.274 -2.426 1.00 33.40 C ATOM 1912 CD1 TYR A 122 11.390 -3.213 -1.035 1.00 70.42 C ATOM 1913 CD2 TYR A 122 11.070 -2.305 -3.278 1.00 1.24 C ATOM 1914 CE1 TYR A 122 10.569 -2.200 -0.512 1.00 54.44 C ATOM 1915 CE2 TYR A 122 10.274 -1.274 -2.759 1.00 22.22 C ATOM 1916 CZ TYR A 122 10.017 -1.227 -1.373 1.00 54.32 C ATOM 1917 OH TYR A 122 9.264 -0.224 -0.860 1.00 71.12 O ATOM 0 H TYR A 122 14.073 -5.787 -4.171 1.00 32.34 H new ATOM 0 HA TYR A 122 14.120 -3.061 -3.501 1.00 64.44 H new ATOM 0 HB2 TYR A 122 12.157 -4.547 -4.059 1.00 33.22 H new ATOM 0 HB3 TYR A 122 12.328 -5.293 -2.483 1.00 33.22 H new ATOM 0 HD1 TYR A 122 11.835 -3.943 -0.376 1.00 70.42 H new ATOM 0 HD2 TYR A 122 11.253 -2.356 -4.341 1.00 1.24 H new ATOM 0 HE1 TYR A 122 10.361 -2.166 0.547 1.00 54.44 H new ATOM 0 HE2 TYR A 122 9.861 -0.522 -3.415 1.00 22.22 H new ATOM 0 HH TYR A 122 9.003 -0.447 0.058 1.00 71.12 H new ATOM 1927 N ASN A 123 14.560 -5.094 -0.899 1.00 61.01 N ATOM 1928 CA ASN A 123 15.121 -5.181 0.455 1.00 4.41 C ATOM 1929 C ASN A 123 16.552 -4.665 0.480 1.00 34.20 C ATOM 1930 O ASN A 123 16.921 -4.017 1.452 1.00 2.42 O ATOM 1931 CB ASN A 123 15.143 -6.640 0.971 1.00 72.35 C ATOM 1932 CG ASN A 123 13.930 -7.074 1.778 1.00 60.14 C ATOM 1933 OD1 ASN A 123 13.332 -6.289 2.510 1.00 54.14 O ATOM 1934 ND2 ASN A 123 13.536 -8.336 1.704 1.00 62.05 N ATOM 0 H ASN A 123 14.177 -5.976 -1.238 1.00 61.01 H new ATOM 0 HA ASN A 123 14.481 -4.573 1.094 1.00 4.41 H new ATOM 0 HB2 ASN A 123 15.244 -7.307 0.115 1.00 72.35 H new ATOM 0 HB3 ASN A 123 16.033 -6.775 1.586 1.00 72.35 H new ATOM 0 HD21 ASN A 123 12.738 -8.654 2.254 1.00 62.05 H new ATOM 0 HD22 ASN A 123 14.031 -8.990 1.097 1.00 62.05 H new ATOM 1941 N GLY A 124 17.344 -4.934 -0.558 1.00 61.11 N ATOM 1942 CA GLY A 124 18.702 -4.464 -0.749 1.00 1.32 C ATOM 1943 C GLY A 124 18.825 -2.978 -0.439 1.00 3.25 C ATOM 1944 O GLY A 124 19.714 -2.597 0.326 1.00 12.40 O ATOM 0 H GLY A 124 17.029 -5.522 -1.330 1.00 61.11 H new ATOM 0 HA2 GLY A 124 19.378 -5.028 -0.106 1.00 1.32 H new ATOM 0 HA3 GLY A 124 19.011 -4.649 -1.778 1.00 1.32 H new ATOM 1948 N TYR A 125 17.915 -2.158 -0.966 1.00 71.34 N ATOM 1949 CA TYR A 125 17.917 -0.720 -0.749 1.00 43.22 C ATOM 1950 C TYR A 125 17.547 -0.332 0.683 1.00 52.34 C ATOM 1951 O TYR A 125 18.044 0.690 1.160 1.00 65.41 O ATOM 1952 CB TYR A 125 16.996 -0.040 -1.769 1.00 22.12 C ATOM 1953 CG TYR A 125 17.479 -0.188 -3.200 1.00 74.42 C ATOM 1954 CD1 TYR A 125 18.766 0.260 -3.544 1.00 61.23 C ATOM 1955 CD2 TYR A 125 16.657 -0.762 -4.189 1.00 31.25 C ATOM 1956 CE1 TYR A 125 19.243 0.120 -4.855 1.00 4.11 C ATOM 1957 CE2 TYR A 125 17.132 -0.900 -5.507 1.00 32.24 C ATOM 1958 CZ TYR A 125 18.443 -0.491 -5.838 1.00 22.31 C ATOM 1959 OH TYR A 125 18.923 -0.681 -7.100 1.00 15.11 O ATOM 0 H TYR A 125 17.151 -2.481 -1.560 1.00 71.34 H new ATOM 0 HA TYR A 125 18.938 -0.367 -0.897 1.00 43.22 H new ATOM 0 HB2 TYR A 125 15.995 -0.463 -1.684 1.00 22.12 H new ATOM 0 HB3 TYR A 125 16.916 1.020 -1.527 1.00 22.12 H new ATOM 0 HD1 TYR A 125 19.393 0.716 -2.792 1.00 61.23 H new ATOM 0 HD2 TYR A 125 15.662 -1.096 -3.936 1.00 31.25 H new ATOM 0 HE1 TYR A 125 20.228 0.482 -5.111 1.00 4.11 H new ATOM 0 HE2 TYR A 125 16.491 -1.320 -6.268 1.00 32.24 H new ATOM 0 HH TYR A 125 18.238 -1.117 -7.648 1.00 15.11 H new ATOM 1969 N LEU A 126 16.750 -1.131 1.408 1.00 23.12 N ATOM 1970 CA LEU A 126 16.456 -0.849 2.819 1.00 32.34 C ATOM 1971 C LEU A 126 17.747 -0.872 3.637 1.00 2.11 C ATOM 1972 O LEU A 126 17.927 -0.097 4.574 1.00 50.30 O ATOM 1973 CB LEU A 126 15.439 -1.820 3.454 1.00 12.30 C ATOM 1974 CG LEU A 126 14.009 -1.536 2.977 1.00 50.03 C ATOM 1975 CD1 LEU A 126 13.610 -2.247 1.717 1.00 55.05 C ATOM 1976 CD2 LEU A 126 12.957 -1.845 4.027 1.00 24.21 C ATOM 0 H LEU A 126 16.301 -1.971 1.043 1.00 23.12 H new ATOM 0 HA LEU A 126 16.000 0.141 2.836 1.00 32.34 H new ATOM 0 HB2 LEU A 126 15.709 -2.846 3.203 1.00 12.30 H new ATOM 0 HB3 LEU A 126 15.484 -1.735 4.540 1.00 12.30 H new ATOM 0 HG LEU A 126 14.042 -0.465 2.775 1.00 50.03 H new ATOM 0 HD11 LEU A 126 12.584 -1.984 1.460 1.00 55.05 H new ATOM 0 HD12 LEU A 126 14.275 -1.951 0.906 1.00 55.05 H new ATOM 0 HD13 LEU A 126 13.681 -3.324 1.869 1.00 55.05 H new ATOM 0 HD21 LEU A 126 11.968 -1.623 3.627 1.00 24.21 H new ATOM 0 HD22 LEU A 126 13.011 -2.900 4.297 1.00 24.21 H new ATOM 0 HD23 LEU A 126 13.136 -1.235 4.912 1.00 24.21 H new