USER MOD reduce.3.24.130724 H: found=0, std=0, add=1042, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1042 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 52 GLN :FLIP amide:sc= -3.14! C(o=-15!,f=-9.3!) USER MOD Set 1.2: A 56 THR OG1 : rot -175:sc= -0.599 USER MOD Set 1.3: A 107 MET CE :methyl 173:sc= -5.59! (180deg=-4.36!) USER MOD Single : A 1 SER N :NH3+ 144:sc= 0.00157 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 6 ASN : amide:sc= -0.0653 K(o=-0.065,f=-1.8!) USER MOD Single : A 7 THR OG1 : rot -46:sc= 0.264 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN :FLIP amide:sc= -0.548 F(o=-1.9,f=-0.55) USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 HIS : no HD1:sc= -1.69 K(o=-1.7,f=-2.3!) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 SER OG : rot 116:sc= 0.948 USER MOD Single : A 47 HIS : no HE2:sc= -1.49 K(o=-1.5,f=-3.8!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 HIS : no HE2:sc= -3.72! C(o=-3.7!,f=-5.1!) USER MOD Single : A 60 SER OG : rot 180:sc= 0.0629 USER MOD Single : A 61 HIS : no HD1:sc= -0.0148 X(o=-0.015,f=-0.18) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot -76:sc= -0.0289 USER MOD Single : A 70 ASN :FLIP amide:sc= -1.79 F(o=-3.1,f=-1.8) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= 0.103 K(o=0.1,f=-1.1) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot -149:sc= -0.501 USER MOD Single : A 89 ASN :FLIP amide:sc= -2.18 F(o=-4.6!,f=-2.2) USER MOD Single : A 96 THR OG1 : rot 180:sc= -0.0821 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 MET CE :methyl 145:sc= -0.0984 (180deg=-1.97!) USER MOD Single : A 110 SER OG : rot 180:sc= -0.114 USER MOD Single : A 114 ASN : amide:sc= -0.212 K(o=-0.21,f=-3.9!) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 THR OG1 : rot 38:sc= 0.651 USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 138 SER OG : rot 180:sc= 0 USER MOD Single : A 141 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 17.878 -18.083 -4.910 1.00 0.00 N ATOM 2 CA SER A 1 16.491 -17.603 -4.675 1.00 0.00 C ATOM 3 C SER A 1 15.961 -18.088 -3.330 1.00 0.00 C ATOM 4 O SER A 1 16.160 -19.242 -2.953 1.00 0.00 O ATOM 5 CB SER A 1 15.600 -18.112 -5.809 1.00 0.00 C ATOM 6 OG SER A 1 15.472 -17.142 -6.834 1.00 0.00 O ATOM 0 H1 SER A 1 18.004 -18.300 -5.919 1.00 0.00 H new ATOM 0 H2 SER A 1 18.553 -17.344 -4.628 1.00 0.00 H new ATOM 0 H3 SER A 1 18.048 -18.941 -4.348 1.00 0.00 H new ATOM 0 HA SER A 1 16.488 -16.513 -4.655 1.00 0.00 H new ATOM 0 HB2 SER A 1 16.021 -19.029 -6.222 1.00 0.00 H new ATOM 0 HB3 SER A 1 14.614 -18.362 -5.416 1.00 0.00 H new ATOM 0 HG SER A 1 14.899 -17.493 -7.547 1.00 0.00 H new ATOM 14 N GLY A 2 15.284 -17.197 -2.611 1.00 0.00 N ATOM 15 CA GLY A 2 14.735 -17.551 -1.315 1.00 0.00 C ATOM 16 C GLY A 2 13.316 -18.078 -1.410 1.00 0.00 C ATOM 17 O GLY A 2 12.360 -17.302 -1.421 1.00 0.00 O ATOM 0 H GLY A 2 15.106 -16.236 -2.903 1.00 0.00 H new ATOM 0 HA2 GLY A 2 15.369 -18.305 -0.849 1.00 0.00 H new ATOM 0 HA3 GLY A 2 14.751 -16.676 -0.666 1.00 0.00 H new ATOM 21 N PHE A 3 13.181 -19.399 -1.478 1.00 0.00 N ATOM 22 CA PHE A 3 11.868 -20.029 -1.572 1.00 0.00 C ATOM 23 C PHE A 3 11.332 -20.378 -0.187 1.00 0.00 C ATOM 24 O PHE A 3 11.970 -21.109 0.571 1.00 0.00 O ATOM 25 CB PHE A 3 11.946 -21.290 -2.434 1.00 0.00 C ATOM 26 CG PHE A 3 10.634 -21.670 -3.059 1.00 0.00 C ATOM 27 CD1 PHE A 3 10.237 -21.111 -4.263 1.00 0.00 C ATOM 28 CD2 PHE A 3 9.799 -22.589 -2.441 1.00 0.00 C ATOM 29 CE1 PHE A 3 9.030 -21.460 -4.839 1.00 0.00 C ATOM 30 CE2 PHE A 3 8.592 -22.941 -3.014 1.00 0.00 C ATOM 31 CZ PHE A 3 8.206 -22.377 -4.214 1.00 0.00 C ATOM 0 H PHE A 3 13.963 -20.053 -1.470 1.00 0.00 H new ATOM 0 HA PHE A 3 11.184 -19.320 -2.038 1.00 0.00 H new ATOM 0 HB2 PHE A 3 12.684 -21.137 -3.222 1.00 0.00 H new ATOM 0 HB3 PHE A 3 12.301 -22.118 -1.821 1.00 0.00 H new ATOM 0 HD1 PHE A 3 10.877 -20.395 -4.757 1.00 0.00 H new ATOM 0 HD2 PHE A 3 10.095 -23.034 -1.503 1.00 0.00 H new ATOM 0 HE1 PHE A 3 8.731 -21.016 -5.777 1.00 0.00 H new ATOM 0 HE2 PHE A 3 7.950 -23.658 -2.523 1.00 0.00 H new ATOM 0 HZ PHE A 3 7.263 -22.652 -4.663 1.00 0.00 H new ATOM 41 N VAL A 4 10.155 -19.850 0.135 1.00 0.00 N ATOM 42 CA VAL A 4 9.531 -20.106 1.428 1.00 0.00 C ATOM 43 C VAL A 4 8.190 -20.812 1.261 1.00 0.00 C ATOM 44 O VAL A 4 7.900 -21.785 1.958 1.00 0.00 O ATOM 45 CB VAL A 4 9.314 -18.801 2.218 1.00 0.00 C ATOM 46 CG1 VAL A 4 10.601 -18.372 2.905 1.00 0.00 C ATOM 47 CG2 VAL A 4 8.797 -17.702 1.302 1.00 0.00 C ATOM 0 H VAL A 4 9.615 -19.243 -0.481 1.00 0.00 H new ATOM 0 HA VAL A 4 10.213 -20.750 1.984 1.00 0.00 H new ATOM 0 HB VAL A 4 8.563 -18.984 2.987 1.00 0.00 H new ATOM 0 HG11 VAL A 4 10.428 -17.449 3.458 1.00 0.00 H new ATOM 0 HG12 VAL A 4 10.923 -19.153 3.594 1.00 0.00 H new ATOM 0 HG13 VAL A 4 11.376 -18.207 2.156 1.00 0.00 H new ATOM 0 HG21 VAL A 4 8.650 -16.788 1.877 1.00 0.00 H new ATOM 0 HG22 VAL A 4 9.522 -17.519 0.509 1.00 0.00 H new ATOM 0 HG23 VAL A 4 7.849 -18.011 0.863 1.00 0.00 H new ATOM 57 N CYS A 5 7.376 -20.315 0.334 1.00 0.00 N ATOM 58 CA CYS A 5 6.065 -20.897 0.076 1.00 0.00 C ATOM 59 C CYS A 5 5.481 -20.370 -1.231 1.00 0.00 C ATOM 60 O CYS A 5 6.191 -19.777 -2.045 1.00 0.00 O ATOM 61 CB CYS A 5 5.113 -20.591 1.234 1.00 0.00 C ATOM 62 SG CYS A 5 3.920 -21.922 1.585 1.00 0.00 S ATOM 0 H CYS A 5 7.602 -19.510 -0.251 1.00 0.00 H new ATOM 0 HA CYS A 5 6.186 -21.977 -0.012 1.00 0.00 H new ATOM 0 HB2 CYS A 5 5.700 -20.397 2.132 1.00 0.00 H new ATOM 0 HB3 CYS A 5 4.565 -19.676 1.008 1.00 0.00 H new ATOM 67 N ASN A 6 4.185 -20.589 -1.425 1.00 0.00 N ATOM 68 CA ASN A 6 3.503 -20.135 -2.633 1.00 0.00 C ATOM 69 C ASN A 6 2.070 -19.714 -2.322 1.00 0.00 C ATOM 70 O ASN A 6 1.117 -20.245 -2.892 1.00 0.00 O ATOM 71 CB ASN A 6 3.506 -21.241 -3.691 1.00 0.00 C ATOM 72 CG ASN A 6 3.172 -22.601 -3.107 1.00 0.00 C ATOM 73 OD1 ASN A 6 2.377 -22.710 -2.173 1.00 0.00 O ATOM 74 ND2 ASN A 6 3.780 -23.646 -3.656 1.00 0.00 N ATOM 0 H ASN A 6 3.585 -21.078 -0.761 1.00 0.00 H new ATOM 0 HA ASN A 6 4.040 -19.270 -3.022 1.00 0.00 H new ATOM 0 HB2 ASN A 6 2.785 -20.996 -4.471 1.00 0.00 H new ATOM 0 HB3 ASN A 6 4.486 -21.283 -4.166 1.00 0.00 H new ATOM 0 HD21 ASN A 6 3.595 -24.586 -3.305 1.00 0.00 H new ATOM 0 HD22 ASN A 6 4.432 -23.509 -4.429 1.00 0.00 H new ATOM 81 N THR A 7 1.927 -18.754 -1.413 1.00 0.00 N ATOM 82 CA THR A 7 0.611 -18.259 -1.024 1.00 0.00 C ATOM 83 C THR A 7 0.202 -17.067 -1.883 1.00 0.00 C ATOM 84 O THR A 7 -0.710 -16.319 -1.530 1.00 0.00 O ATOM 85 CB THR A 7 0.610 -17.859 0.455 1.00 0.00 C ATOM 86 OG1 THR A 7 -0.714 -17.741 0.942 1.00 0.00 O ATOM 87 CG2 THR A 7 1.319 -16.547 0.725 1.00 0.00 C ATOM 0 H THR A 7 2.706 -18.304 -0.932 1.00 0.00 H new ATOM 0 HA THR A 7 -0.111 -19.061 -1.178 1.00 0.00 H new ATOM 0 HB THR A 7 1.150 -18.655 0.968 1.00 0.00 H new ATOM 0 HG1 THR A 7 -1.253 -17.229 0.304 1.00 0.00 H new ATOM 0 HG21 THR A 7 1.280 -16.325 1.791 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.359 -16.623 0.408 1.00 0.00 H new ATOM 0 HG23 THR A 7 0.828 -15.747 0.170 1.00 0.00 H new ATOM 95 N CYS A 8 0.886 -16.892 -3.009 1.00 0.00 N ATOM 96 CA CYS A 8 0.594 -15.784 -3.909 1.00 0.00 C ATOM 97 C CYS A 8 0.132 -16.281 -5.278 1.00 0.00 C ATOM 98 O CYS A 8 0.933 -16.410 -6.204 1.00 0.00 O ATOM 99 CB CYS A 8 1.825 -14.888 -4.056 1.00 0.00 C ATOM 100 SG CYS A 8 2.842 -14.778 -2.548 1.00 0.00 S ATOM 0 H CYS A 8 1.643 -17.501 -3.319 1.00 0.00 H new ATOM 0 HA CYS A 8 -0.221 -15.204 -3.475 1.00 0.00 H new ATOM 0 HB2 CYS A 8 2.442 -15.265 -4.872 1.00 0.00 H new ATOM 0 HB3 CYS A 8 1.501 -13.886 -4.338 1.00 0.00 H new ATOM 105 N PRO A 9 -1.175 -16.570 -5.421 1.00 0.00 N ATOM 106 CA PRO A 9 -1.744 -17.054 -6.679 1.00 0.00 C ATOM 107 C PRO A 9 -1.959 -15.936 -7.698 1.00 0.00 C ATOM 108 O PRO A 9 -1.311 -15.904 -8.744 1.00 0.00 O ATOM 109 CB PRO A 9 -3.081 -17.656 -6.246 1.00 0.00 C ATOM 110 CG PRO A 9 -3.476 -16.876 -5.039 1.00 0.00 C ATOM 111 CD PRO A 9 -2.198 -16.449 -4.363 1.00 0.00 C ATOM 0 HA PRO A 9 -1.083 -17.760 -7.182 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -3.828 -17.569 -7.035 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -2.981 -18.717 -6.016 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -4.075 -16.009 -5.317 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -4.085 -17.482 -4.368 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -2.266 -15.427 -3.989 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -1.966 -17.086 -3.509 1.00 0.00 H new ATOM 119 N GLU A 10 -2.875 -15.025 -7.386 1.00 0.00 N ATOM 120 CA GLU A 10 -3.179 -13.908 -8.276 1.00 0.00 C ATOM 121 C GLU A 10 -2.998 -12.570 -7.564 1.00 0.00 C ATOM 122 O GLU A 10 -1.992 -11.887 -7.755 1.00 0.00 O ATOM 123 CB GLU A 10 -4.609 -14.023 -8.813 1.00 0.00 C ATOM 124 CG GLU A 10 -5.215 -15.408 -8.654 1.00 0.00 C ATOM 125 CD GLU A 10 -6.241 -15.722 -9.725 1.00 0.00 C ATOM 126 OE1 GLU A 10 -5.841 -15.908 -10.894 1.00 0.00 O ATOM 127 OE2 GLU A 10 -7.444 -15.781 -9.395 1.00 0.00 O ATOM 0 H GLU A 10 -3.420 -15.037 -6.524 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.480 -13.950 -9.111 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -5.240 -13.299 -8.297 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -4.613 -13.754 -9.869 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.421 -16.154 -8.687 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -5.684 -15.485 -7.673 1.00 0.00 H new ATOM 134 N LYS A 11 -3.981 -12.203 -6.746 1.00 0.00 N ATOM 135 CA LYS A 11 -3.935 -10.947 -6.004 1.00 0.00 C ATOM 136 C LYS A 11 -2.633 -10.829 -5.221 1.00 0.00 C ATOM 137 O LYS A 11 -1.972 -9.792 -5.241 1.00 0.00 O ATOM 138 CB LYS A 11 -5.127 -10.848 -5.051 1.00 0.00 C ATOM 139 CG LYS A 11 -6.465 -11.120 -5.722 1.00 0.00 C ATOM 140 CD LYS A 11 -7.628 -10.729 -4.825 1.00 0.00 C ATOM 141 CE LYS A 11 -8.238 -9.403 -5.249 1.00 0.00 C ATOM 142 NZ LYS A 11 -9.714 -9.387 -5.068 1.00 0.00 N ATOM 0 H LYS A 11 -4.820 -12.759 -6.580 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.985 -10.128 -6.721 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.989 -11.556 -4.234 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.147 -9.852 -4.609 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.523 -10.564 -6.658 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -6.538 -12.178 -5.974 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.390 -11.508 -4.856 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.285 -10.659 -3.793 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -7.792 -8.596 -4.667 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -7.999 -9.212 -6.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -10.091 -8.465 -5.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.142 -10.140 -5.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -9.943 -9.544 -4.066 1.00 0.00 H new ATOM 156 N TRP A 12 -2.269 -11.907 -4.541 1.00 0.00 N ATOM 157 CA TRP A 12 -1.045 -11.946 -3.755 1.00 0.00 C ATOM 158 C TRP A 12 0.173 -11.976 -4.676 1.00 0.00 C ATOM 159 O TRP A 12 0.176 -12.680 -5.687 1.00 0.00 O ATOM 160 CB TRP A 12 -1.041 -13.169 -2.838 1.00 0.00 C ATOM 161 CG TRP A 12 -2.018 -13.074 -1.707 1.00 0.00 C ATOM 162 CD1 TRP A 12 -3.369 -12.908 -1.800 1.00 0.00 C ATOM 163 CD2 TRP A 12 -1.717 -13.145 -0.308 1.00 0.00 C ATOM 164 NE1 TRP A 12 -3.928 -12.869 -0.545 1.00 0.00 N ATOM 165 CE2 TRP A 12 -2.934 -13.013 0.387 1.00 0.00 C ATOM 166 CE3 TRP A 12 -0.537 -13.308 0.424 1.00 0.00 C ATOM 167 CZ2 TRP A 12 -3.003 -13.039 1.779 1.00 0.00 C ATOM 168 CZ3 TRP A 12 -0.608 -13.333 1.805 1.00 0.00 C ATOM 169 CH2 TRP A 12 -1.833 -13.199 2.469 1.00 0.00 C ATOM 0 H TRP A 12 -2.809 -12.772 -4.518 1.00 0.00 H new ATOM 0 HA TRP A 12 -0.998 -11.048 -3.139 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -1.267 -14.056 -3.429 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -0.039 -13.304 -2.431 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -3.919 -12.820 -2.725 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -4.920 -12.752 -0.341 1.00 0.00 H new ATOM 0 HE3 TRP A 12 0.413 -13.412 -0.080 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -3.947 -12.936 2.294 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 0.297 -13.458 2.381 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -1.855 -13.222 3.549 1.00 0.00 H new ATOM 180 N ILE A 13 1.201 -11.207 -4.331 1.00 0.00 N ATOM 181 CA ILE A 13 2.414 -11.148 -5.143 1.00 0.00 C ATOM 182 C ILE A 13 3.671 -11.312 -4.288 1.00 0.00 C ATOM 183 O ILE A 13 3.870 -10.584 -3.320 1.00 0.00 O ATOM 184 CB ILE A 13 2.511 -9.814 -5.911 1.00 0.00 C ATOM 185 CG1 ILE A 13 1.159 -9.080 -5.907 1.00 0.00 C ATOM 186 CG2 ILE A 13 2.995 -10.062 -7.328 1.00 0.00 C ATOM 187 CD1 ILE A 13 0.288 -9.358 -7.120 1.00 0.00 C ATOM 0 H ILE A 13 1.220 -10.618 -3.498 1.00 0.00 H new ATOM 0 HA ILE A 13 2.351 -11.973 -5.853 1.00 0.00 H new ATOM 0 HB ILE A 13 3.235 -9.173 -5.408 1.00 0.00 H new ATOM 0 HG12 ILE A 13 0.610 -9.362 -5.009 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.342 -8.007 -5.845 1.00 0.00 H new ATOM 0 HG21 ILE A 13 3.060 -9.114 -7.862 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.979 -10.531 -7.300 1.00 0.00 H new ATOM 0 HG23 ILE A 13 2.294 -10.720 -7.842 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -0.645 -8.800 -7.034 1.00 0.00 H new ATOM 0 HD12 ILE A 13 0.813 -9.049 -8.024 1.00 0.00 H new ATOM 0 HD13 ILE A 13 0.069 -10.424 -7.174 1.00 0.00 H new ATOM 199 N ASN A 14 4.520 -12.270 -4.661 1.00 0.00 N ATOM 200 CA ASN A 14 5.760 -12.530 -3.930 1.00 0.00 C ATOM 201 C ASN A 14 6.976 -12.017 -4.695 1.00 0.00 C ATOM 202 O ASN A 14 6.960 -11.931 -5.923 1.00 0.00 O ATOM 203 CB ASN A 14 5.914 -14.024 -3.648 1.00 0.00 C ATOM 204 CG ASN A 14 7.265 -14.366 -3.050 1.00 0.00 C ATOM 205 OD1 ASN A 14 7.451 -14.027 -1.780 1.00 0.00 O flip ATOM 206 ND2 ASN A 14 8.130 -14.929 -3.720 1.00 0.00 N flip ATOM 0 H ASN A 14 4.371 -12.879 -5.466 1.00 0.00 H new ATOM 0 HA ASN A 14 5.702 -11.993 -2.983 1.00 0.00 H new ATOM 0 HB2 ASN A 14 5.127 -14.345 -2.966 1.00 0.00 H new ATOM 0 HB3 ASN A 14 5.779 -14.581 -4.575 1.00 0.00 H new ATOM 0 HD21 ASN A 14 7.944 -15.171 -4.693 1.00 0.00 H new ATOM 0 HD22 ASN A 14 9.033 -15.153 -3.302 1.00 0.00 H new ATOM 213 N PHE A 15 8.028 -11.670 -3.956 1.00 0.00 N ATOM 214 CA PHE A 15 9.254 -11.157 -4.557 1.00 0.00 C ATOM 215 C PHE A 15 10.479 -11.895 -4.014 1.00 0.00 C ATOM 216 O PHE A 15 10.526 -13.125 -4.032 1.00 0.00 O ATOM 217 CB PHE A 15 9.378 -9.654 -4.296 1.00 0.00 C ATOM 218 CG PHE A 15 8.081 -8.913 -4.424 1.00 0.00 C ATOM 219 CD1 PHE A 15 7.238 -8.777 -3.333 1.00 0.00 C ATOM 220 CD2 PHE A 15 7.701 -8.354 -5.634 1.00 0.00 C ATOM 221 CE1 PHE A 15 6.044 -8.097 -3.445 1.00 0.00 C ATOM 222 CE2 PHE A 15 6.505 -7.672 -5.752 1.00 0.00 C ATOM 223 CZ PHE A 15 5.675 -7.544 -4.656 1.00 0.00 C ATOM 0 H PHE A 15 8.054 -11.736 -2.938 1.00 0.00 H new ATOM 0 HA PHE A 15 9.207 -11.327 -5.633 1.00 0.00 H new ATOM 0 HB2 PHE A 15 9.777 -9.500 -3.294 1.00 0.00 H new ATOM 0 HB3 PHE A 15 10.099 -9.231 -4.995 1.00 0.00 H new ATOM 0 HD1 PHE A 15 7.519 -9.209 -2.384 1.00 0.00 H new ATOM 0 HD2 PHE A 15 8.347 -8.453 -6.494 1.00 0.00 H new ATOM 0 HE1 PHE A 15 5.397 -7.997 -2.586 1.00 0.00 H new ATOM 0 HE2 PHE A 15 6.220 -7.240 -6.700 1.00 0.00 H new ATOM 0 HZ PHE A 15 4.739 -7.013 -4.745 1.00 0.00 H new ATOM 233 N GLN A 16 11.468 -11.138 -3.534 1.00 0.00 N ATOM 234 CA GLN A 16 12.687 -11.724 -2.988 1.00 0.00 C ATOM 235 C GLN A 16 12.363 -12.795 -1.954 1.00 0.00 C ATOM 236 O GLN A 16 12.942 -13.882 -1.971 1.00 0.00 O ATOM 237 CB GLN A 16 13.561 -10.637 -2.358 1.00 0.00 C ATOM 238 CG GLN A 16 13.847 -9.470 -3.289 1.00 0.00 C ATOM 239 CD GLN A 16 15.149 -9.636 -4.049 1.00 0.00 C ATOM 240 OE1 GLN A 16 15.479 -10.730 -4.506 1.00 0.00 O ATOM 241 NE2 GLN A 16 15.895 -8.546 -4.188 1.00 0.00 N ATOM 0 H GLN A 16 11.446 -10.118 -3.514 1.00 0.00 H new ATOM 0 HA GLN A 16 13.233 -12.192 -3.807 1.00 0.00 H new ATOM 0 HB2 GLN A 16 13.069 -10.262 -1.460 1.00 0.00 H new ATOM 0 HB3 GLN A 16 14.506 -11.080 -2.043 1.00 0.00 H new ATOM 0 HG2 GLN A 16 13.027 -9.367 -3.999 1.00 0.00 H new ATOM 0 HG3 GLN A 16 13.884 -8.548 -2.709 1.00 0.00 H new ATOM 0 HE21 GLN A 16 15.582 -7.660 -3.792 1.00 0.00 H new ATOM 0 HE22 GLN A 16 16.781 -8.595 -4.690 1.00 0.00 H new ATOM 250 N ARG A 17 11.430 -12.487 -1.056 1.00 0.00 N ATOM 251 CA ARG A 17 11.032 -13.434 -0.020 1.00 0.00 C ATOM 252 C ARG A 17 9.727 -13.011 0.646 1.00 0.00 C ATOM 253 O ARG A 17 9.213 -13.711 1.518 1.00 0.00 O ATOM 254 CB ARG A 17 12.135 -13.571 1.030 1.00 0.00 C ATOM 255 CG ARG A 17 12.581 -12.245 1.622 1.00 0.00 C ATOM 256 CD ARG A 17 13.952 -11.839 1.107 1.00 0.00 C ATOM 257 NE ARG A 17 14.953 -11.820 2.171 1.00 0.00 N ATOM 258 CZ ARG A 17 16.054 -11.077 2.135 1.00 0.00 C ATOM 259 NH1 ARG A 17 16.294 -10.293 1.091 1.00 0.00 N ATOM 260 NH2 ARG A 17 16.916 -11.118 3.140 1.00 0.00 N ATOM 0 H ARG A 17 10.938 -11.594 -1.025 1.00 0.00 H new ATOM 0 HA ARG A 17 10.872 -14.401 -0.497 1.00 0.00 H new ATOM 0 HB2 ARG A 17 11.782 -14.217 1.833 1.00 0.00 H new ATOM 0 HB3 ARG A 17 12.995 -14.065 0.578 1.00 0.00 H new ATOM 0 HG2 ARG A 17 11.854 -11.472 1.374 1.00 0.00 H new ATOM 0 HG3 ARG A 17 12.607 -12.321 2.709 1.00 0.00 H new ATOM 0 HD2 ARG A 17 14.266 -12.532 0.326 1.00 0.00 H new ATOM 0 HD3 ARG A 17 13.890 -10.851 0.650 1.00 0.00 H new ATOM 0 HE ARG A 17 14.798 -12.411 2.988 1.00 0.00 H new ATOM 0 HH11 ARG A 17 15.633 -10.260 0.315 1.00 0.00 H new ATOM 0 HH12 ARG A 17 17.140 -9.723 1.065 1.00 0.00 H new ATOM 0 HH21 ARG A 17 16.735 -11.721 3.943 1.00 0.00 H new ATOM 0 HH22 ARG A 17 17.761 -10.547 3.111 1.00 0.00 H new ATOM 274 N LYS A 18 9.190 -11.871 0.226 1.00 0.00 N ATOM 275 CA LYS A 18 7.945 -11.371 0.779 1.00 0.00 C ATOM 276 C LYS A 18 6.850 -11.383 -0.263 1.00 0.00 C ATOM 277 O LYS A 18 7.106 -11.372 -1.463 1.00 0.00 O ATOM 278 CB LYS A 18 8.103 -9.952 1.310 1.00 0.00 C ATOM 279 CG LYS A 18 8.344 -8.925 0.223 1.00 0.00 C ATOM 280 CD LYS A 18 9.668 -8.211 0.422 1.00 0.00 C ATOM 281 CE LYS A 18 9.463 -6.785 0.909 1.00 0.00 C ATOM 282 NZ LYS A 18 10.676 -6.248 1.584 1.00 0.00 N ATOM 0 H LYS A 18 9.600 -11.278 -0.496 1.00 0.00 H new ATOM 0 HA LYS A 18 7.674 -12.032 1.603 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.206 -9.678 1.866 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.934 -9.926 2.014 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.335 -9.414 -0.751 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.533 -8.197 0.221 1.00 0.00 H new ATOM 0 HD2 LYS A 18 10.274 -8.760 1.143 1.00 0.00 H new ATOM 0 HD3 LYS A 18 10.222 -8.200 -0.517 1.00 0.00 H new ATOM 0 HE2 LYS A 18 9.205 -6.147 0.064 1.00 0.00 H new ATOM 0 HE3 LYS A 18 8.620 -6.755 1.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 10.495 -5.274 1.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 10.908 -6.842 2.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 11.475 -6.252 0.918 1.00 0.00 H new ATOM 296 N CYS A 19 5.630 -11.384 0.220 1.00 0.00 N ATOM 297 CA CYS A 19 4.464 -11.376 -0.638 1.00 0.00 C ATOM 298 C CYS A 19 3.576 -10.195 -0.287 1.00 0.00 C ATOM 299 O CYS A 19 3.751 -9.565 0.754 1.00 0.00 O ATOM 300 CB CYS A 19 3.688 -12.691 -0.511 1.00 0.00 C ATOM 301 SG CYS A 19 2.419 -12.938 -1.797 1.00 0.00 S ATOM 0 H CYS A 19 5.416 -11.390 1.217 1.00 0.00 H new ATOM 0 HA CYS A 19 4.790 -11.278 -1.673 1.00 0.00 H new ATOM 0 HB2 CYS A 19 4.393 -13.521 -0.548 1.00 0.00 H new ATOM 0 HB3 CYS A 19 3.209 -12.724 0.467 1.00 0.00 H new ATOM 306 N TYR A 20 2.630 -9.897 -1.159 1.00 0.00 N ATOM 307 CA TYR A 20 1.718 -8.787 -0.946 1.00 0.00 C ATOM 308 C TYR A 20 0.285 -9.277 -1.003 1.00 0.00 C ATOM 309 O TYR A 20 -0.087 -10.018 -1.905 1.00 0.00 O ATOM 310 CB TYR A 20 1.906 -7.709 -2.022 1.00 0.00 C ATOM 311 CG TYR A 20 3.065 -6.759 -1.798 1.00 0.00 C ATOM 312 CD1 TYR A 20 4.083 -7.045 -0.897 1.00 0.00 C ATOM 313 CD2 TYR A 20 3.128 -5.563 -2.500 1.00 0.00 C ATOM 314 CE1 TYR A 20 5.132 -6.164 -0.705 1.00 0.00 C ATOM 315 CE2 TYR A 20 4.170 -4.678 -2.313 1.00 0.00 C ATOM 316 CZ TYR A 20 5.170 -4.983 -1.415 1.00 0.00 C ATOM 317 OH TYR A 20 6.211 -4.103 -1.226 1.00 0.00 O ATOM 0 H TYR A 20 2.473 -10.411 -2.026 1.00 0.00 H new ATOM 0 HA TYR A 20 1.934 -8.361 0.034 1.00 0.00 H new ATOM 0 HB2 TYR A 20 2.043 -8.201 -2.985 1.00 0.00 H new ATOM 0 HB3 TYR A 20 0.988 -7.125 -2.091 1.00 0.00 H new ATOM 0 HD1 TYR A 20 4.055 -7.969 -0.338 1.00 0.00 H new ATOM 0 HD2 TYR A 20 2.347 -5.321 -3.206 1.00 0.00 H new ATOM 0 HE1 TYR A 20 5.917 -6.400 -0.002 1.00 0.00 H new ATOM 0 HE2 TYR A 20 4.202 -3.752 -2.867 1.00 0.00 H new ATOM 0 HH TYR A 20 6.087 -3.321 -1.803 1.00 0.00 H new ATOM 327 N TYR A 21 -0.520 -8.842 -0.051 1.00 0.00 N ATOM 328 CA TYR A 21 -1.914 -9.224 -0.018 1.00 0.00 C ATOM 329 C TYR A 21 -2.736 -8.107 -0.641 1.00 0.00 C ATOM 330 O TYR A 21 -2.857 -7.017 -0.084 1.00 0.00 O ATOM 331 CB TYR A 21 -2.351 -9.490 1.426 1.00 0.00 C ATOM 332 CG TYR A 21 -3.847 -9.460 1.639 1.00 0.00 C ATOM 333 CD1 TYR A 21 -4.711 -10.077 0.745 1.00 0.00 C ATOM 334 CD2 TYR A 21 -4.391 -8.816 2.742 1.00 0.00 C ATOM 335 CE1 TYR A 21 -6.076 -10.051 0.941 1.00 0.00 C ATOM 336 CE2 TYR A 21 -5.754 -8.786 2.948 1.00 0.00 C ATOM 337 CZ TYR A 21 -6.596 -9.404 2.044 1.00 0.00 C ATOM 338 OH TYR A 21 -7.957 -9.377 2.245 1.00 0.00 O ATOM 0 H TYR A 21 -0.230 -8.225 0.707 1.00 0.00 H new ATOM 0 HA TYR A 21 -2.068 -10.142 -0.585 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.971 -10.464 1.734 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -1.888 -8.747 2.076 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -4.308 -10.586 -0.118 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -3.736 -8.331 3.450 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -6.735 -10.535 0.235 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -6.161 -8.282 3.812 1.00 0.00 H new ATOM 0 HH TYR A 21 -8.156 -8.883 3.067 1.00 0.00 H new ATOM 348 N PHE A 22 -3.267 -8.384 -1.821 1.00 0.00 N ATOM 349 CA PHE A 22 -4.045 -7.412 -2.563 1.00 0.00 C ATOM 350 C PHE A 22 -5.541 -7.676 -2.417 1.00 0.00 C ATOM 351 O PHE A 22 -6.015 -8.780 -2.687 1.00 0.00 O ATOM 352 CB PHE A 22 -3.632 -7.472 -4.038 1.00 0.00 C ATOM 353 CG PHE A 22 -2.284 -6.857 -4.336 1.00 0.00 C ATOM 354 CD1 PHE A 22 -1.486 -6.354 -3.320 1.00 0.00 C ATOM 355 CD2 PHE A 22 -1.813 -6.793 -5.640 1.00 0.00 C ATOM 356 CE1 PHE A 22 -0.250 -5.799 -3.597 1.00 0.00 C ATOM 357 CE2 PHE A 22 -0.577 -6.238 -5.922 1.00 0.00 C ATOM 358 CZ PHE A 22 0.207 -5.742 -4.897 1.00 0.00 C ATOM 0 H PHE A 22 -3.170 -9.286 -2.288 1.00 0.00 H new ATOM 0 HA PHE A 22 -3.849 -6.417 -2.163 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -3.620 -8.514 -4.357 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -4.389 -6.964 -4.635 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -1.834 -6.396 -2.299 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -2.419 -7.181 -6.445 1.00 0.00 H new ATOM 0 HE1 PHE A 22 0.358 -5.410 -2.794 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -0.225 -6.192 -6.942 1.00 0.00 H new ATOM 0 HZ PHE A 22 1.174 -5.312 -5.113 1.00 0.00 H new ATOM 368 N GLY A 23 -6.277 -6.657 -1.987 1.00 0.00 N ATOM 369 CA GLY A 23 -7.712 -6.797 -1.810 1.00 0.00 C ATOM 370 C GLY A 23 -8.472 -5.549 -2.214 1.00 0.00 C ATOM 371 O GLY A 23 -7.906 -4.639 -2.820 1.00 0.00 O ATOM 0 H GLY A 23 -5.906 -5.735 -1.757 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.067 -7.642 -2.401 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.925 -7.026 -0.766 1.00 0.00 H new ATOM 375 N LYS A 24 -9.758 -5.507 -1.878 1.00 0.00 N ATOM 376 CA LYS A 24 -10.598 -4.363 -2.210 1.00 0.00 C ATOM 377 C LYS A 24 -11.334 -3.851 -0.976 1.00 0.00 C ATOM 378 O LYS A 24 -11.598 -4.605 -0.039 1.00 0.00 O ATOM 379 CB LYS A 24 -11.599 -4.739 -3.304 1.00 0.00 C ATOM 380 CG LYS A 24 -12.623 -3.654 -3.600 1.00 0.00 C ATOM 381 CD LYS A 24 -13.752 -4.177 -4.474 1.00 0.00 C ATOM 382 CE LYS A 24 -14.846 -3.137 -4.652 1.00 0.00 C ATOM 383 NZ LYS A 24 -16.099 -3.523 -3.947 1.00 0.00 N ATOM 0 H LYS A 24 -10.240 -6.253 -1.376 1.00 0.00 H new ATOM 0 HA LYS A 24 -9.954 -3.565 -2.579 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -11.053 -4.969 -4.219 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -12.122 -5.648 -3.007 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -13.032 -3.273 -2.664 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -12.134 -2.817 -4.098 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -13.357 -4.461 -5.449 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -14.173 -5.077 -4.026 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -14.498 -2.176 -4.274 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -15.053 -3.006 -5.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -16.820 -2.788 -4.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -16.445 -4.428 -4.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -15.908 -3.623 -2.930 1.00 0.00 H new ATOM 397 N GLY A 25 -11.664 -2.565 -0.987 1.00 0.00 N ATOM 398 CA GLY A 25 -12.369 -1.967 0.132 1.00 0.00 C ATOM 399 C GLY A 25 -12.286 -0.453 0.129 1.00 0.00 C ATOM 400 O GLY A 25 -11.198 0.116 0.043 1.00 0.00 O ATOM 0 H GLY A 25 -11.456 -1.924 -1.753 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -13.416 -2.270 0.102 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -11.953 -2.349 1.065 1.00 0.00 H new ATOM 404 N THR A 26 -13.440 0.202 0.225 1.00 0.00 N ATOM 405 CA THR A 26 -13.495 1.660 0.234 1.00 0.00 C ATOM 406 C THR A 26 -13.496 2.199 1.661 1.00 0.00 C ATOM 407 O THR A 26 -14.404 1.914 2.442 1.00 0.00 O ATOM 408 CB THR A 26 -14.741 2.147 -0.507 1.00 0.00 C ATOM 409 OG1 THR A 26 -14.847 1.523 -1.775 1.00 0.00 O ATOM 410 CG2 THR A 26 -14.760 3.644 -0.728 1.00 0.00 C ATOM 0 H THR A 26 -14.349 -0.254 0.298 1.00 0.00 H new ATOM 0 HA THR A 26 -12.606 2.034 -0.274 1.00 0.00 H new ATOM 0 HB THR A 26 -15.581 1.881 0.135 1.00 0.00 H new ATOM 0 HG1 THR A 26 -15.651 1.846 -2.233 1.00 0.00 H new ATOM 0 HG21 THR A 26 -15.671 3.922 -1.259 1.00 0.00 H new ATOM 0 HG22 THR A 26 -14.731 4.154 0.235 1.00 0.00 H new ATOM 0 HG23 THR A 26 -13.892 3.936 -1.320 1.00 0.00 H new ATOM 418 N LYS A 27 -12.471 2.980 1.993 1.00 0.00 N ATOM 419 CA LYS A 27 -12.350 3.562 3.327 1.00 0.00 C ATOM 420 C LYS A 27 -11.229 4.600 3.363 1.00 0.00 C ATOM 421 O LYS A 27 -11.041 5.355 2.406 1.00 0.00 O ATOM 422 CB LYS A 27 -12.091 2.463 4.362 1.00 0.00 C ATOM 423 CG LYS A 27 -13.227 2.288 5.358 1.00 0.00 C ATOM 424 CD LYS A 27 -13.269 3.429 6.361 1.00 0.00 C ATOM 425 CE LYS A 27 -14.602 4.160 6.317 1.00 0.00 C ATOM 426 NZ LYS A 27 -15.154 4.392 7.680 1.00 0.00 N ATOM 0 H LYS A 27 -11.712 3.224 1.357 1.00 0.00 H new ATOM 0 HA LYS A 27 -13.287 4.061 3.572 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.924 1.519 3.844 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.175 2.695 4.905 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -14.176 2.237 4.824 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -13.107 1.342 5.886 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -13.099 3.039 7.365 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -12.461 4.130 6.151 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -14.475 5.116 5.809 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -15.315 3.580 5.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -16.063 4.893 7.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -15.300 3.479 8.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -14.486 4.967 8.232 1.00 0.00 H new ATOM 440 N GLN A 28 -10.486 4.638 4.467 1.00 0.00 N ATOM 441 CA GLN A 28 -9.387 5.586 4.618 1.00 0.00 C ATOM 442 C GLN A 28 -8.056 4.855 4.773 1.00 0.00 C ATOM 443 O GLN A 28 -8.021 3.629 4.881 1.00 0.00 O ATOM 444 CB GLN A 28 -9.630 6.491 5.827 1.00 0.00 C ATOM 445 CG GLN A 28 -10.854 7.382 5.683 1.00 0.00 C ATOM 446 CD GLN A 28 -11.209 8.097 6.972 1.00 0.00 C ATOM 447 OE1 GLN A 28 -10.859 9.261 7.167 1.00 0.00 O ATOM 448 NE2 GLN A 28 -11.908 7.400 7.862 1.00 0.00 N ATOM 0 H GLN A 28 -10.626 4.023 5.269 1.00 0.00 H new ATOM 0 HA GLN A 28 -9.341 6.199 3.718 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -9.744 5.872 6.717 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -8.752 7.117 5.984 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -10.672 8.119 4.901 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -11.703 6.778 5.361 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -12.177 6.437 7.659 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -12.176 7.828 8.748 1.00 0.00 H new ATOM 457 N TRP A 29 -6.965 5.616 4.785 1.00 0.00 N ATOM 458 CA TRP A 29 -5.632 5.039 4.928 1.00 0.00 C ATOM 459 C TRP A 29 -5.496 4.308 6.258 1.00 0.00 C ATOM 460 O TRP A 29 -5.010 3.177 6.310 1.00 0.00 O ATOM 461 CB TRP A 29 -4.564 6.130 4.822 1.00 0.00 C ATOM 462 CG TRP A 29 -3.183 5.634 5.124 1.00 0.00 C ATOM 463 CD1 TRP A 29 -2.294 5.097 4.239 1.00 0.00 C ATOM 464 CD2 TRP A 29 -2.536 5.622 6.402 1.00 0.00 C ATOM 465 NE1 TRP A 29 -1.134 4.749 4.889 1.00 0.00 N ATOM 466 CE2 TRP A 29 -1.258 5.064 6.217 1.00 0.00 C ATOM 467 CE3 TRP A 29 -2.913 6.029 7.684 1.00 0.00 C ATOM 468 CZ2 TRP A 29 -0.356 4.902 7.265 1.00 0.00 C ATOM 469 CZ3 TRP A 29 -2.017 5.868 8.725 1.00 0.00 C ATOM 470 CH2 TRP A 29 -0.752 5.309 8.509 1.00 0.00 C ATOM 0 H TRP A 29 -6.978 6.632 4.698 1.00 0.00 H new ATOM 0 HA TRP A 29 -5.488 4.320 4.121 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -4.581 6.549 3.816 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -4.811 6.939 5.509 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -2.475 4.965 3.183 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -0.314 4.325 4.454 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -3.887 6.462 7.859 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 0.621 4.471 7.102 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -2.298 6.179 9.721 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -0.074 5.197 9.342 1.00 0.00 H new ATOM 481 N VAL A 30 -5.925 4.964 7.328 1.00 0.00 N ATOM 482 CA VAL A 30 -5.853 4.384 8.663 1.00 0.00 C ATOM 483 C VAL A 30 -6.556 3.035 8.711 1.00 0.00 C ATOM 484 O VAL A 30 -6.172 2.151 9.477 1.00 0.00 O ATOM 485 CB VAL A 30 -6.478 5.317 9.717 1.00 0.00 C ATOM 486 CG1 VAL A 30 -5.569 6.507 9.984 1.00 0.00 C ATOM 487 CG2 VAL A 30 -7.857 5.780 9.271 1.00 0.00 C ATOM 0 H VAL A 30 -6.328 5.901 7.297 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.796 4.249 8.894 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.591 4.759 10.647 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.028 7.155 10.731 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.606 6.154 10.352 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.421 7.067 9.060 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -8.282 6.438 10.029 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.772 6.320 8.328 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.506 4.914 9.137 1.00 0.00 H new ATOM 497 N HIS A 31 -7.586 2.882 7.890 1.00 0.00 N ATOM 498 CA HIS A 31 -8.337 1.637 7.843 1.00 0.00 C ATOM 499 C HIS A 31 -7.515 0.535 7.187 1.00 0.00 C ATOM 500 O HIS A 31 -7.642 -0.636 7.541 1.00 0.00 O ATOM 501 CB HIS A 31 -9.653 1.833 7.088 1.00 0.00 C ATOM 502 CG HIS A 31 -10.852 1.355 7.847 1.00 0.00 C ATOM 503 ND1 HIS A 31 -11.479 2.109 8.817 1.00 0.00 N ATOM 504 CD2 HIS A 31 -11.543 0.192 7.774 1.00 0.00 C ATOM 505 CE1 HIS A 31 -12.500 1.431 9.308 1.00 0.00 C ATOM 506 NE2 HIS A 31 -12.560 0.264 8.692 1.00 0.00 N ATOM 0 H HIS A 31 -7.919 3.603 7.250 1.00 0.00 H new ATOM 0 HA HIS A 31 -8.562 1.338 8.867 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -9.777 2.891 6.857 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -9.600 1.303 6.137 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -11.332 -0.638 7.115 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -13.172 1.772 10.082 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -13.250 -0.465 8.870 1.00 0.00 H new ATOM 515 N ALA A 32 -6.671 0.914 6.232 1.00 0.00 N ATOM 516 CA ALA A 32 -5.834 -0.056 5.541 1.00 0.00 C ATOM 517 C ALA A 32 -4.744 -0.582 6.463 1.00 0.00 C ATOM 518 O ALA A 32 -4.548 -1.789 6.579 1.00 0.00 O ATOM 519 CB ALA A 32 -5.221 0.565 4.296 1.00 0.00 C ATOM 0 H ALA A 32 -6.550 1.878 5.922 1.00 0.00 H new ATOM 0 HA ALA A 32 -6.461 -0.895 5.240 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.598 -0.173 3.790 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -6.015 0.892 3.624 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.610 1.422 4.580 1.00 0.00 H new ATOM 525 N ARG A 33 -4.046 0.331 7.128 1.00 0.00 N ATOM 526 CA ARG A 33 -2.984 -0.044 8.050 1.00 0.00 C ATOM 527 C ARG A 33 -3.529 -0.899 9.187 1.00 0.00 C ATOM 528 O ARG A 33 -2.881 -1.846 9.631 1.00 0.00 O ATOM 529 CB ARG A 33 -2.292 1.197 8.615 1.00 0.00 C ATOM 530 CG ARG A 33 -3.249 2.213 9.213 1.00 0.00 C ATOM 531 CD ARG A 33 -2.682 2.835 10.478 1.00 0.00 C ATOM 532 NE ARG A 33 -2.670 1.892 11.593 1.00 0.00 N ATOM 533 CZ ARG A 33 -1.639 1.740 12.420 1.00 0.00 C ATOM 534 NH1 ARG A 33 -0.541 2.465 12.257 1.00 0.00 N ATOM 535 NH2 ARG A 33 -1.707 0.861 13.410 1.00 0.00 N ATOM 0 H ARG A 33 -4.197 1.336 7.045 1.00 0.00 H new ATOM 0 HA ARG A 33 -2.252 -0.630 7.494 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -1.580 0.888 9.380 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -1.719 1.675 7.821 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -3.454 2.995 8.482 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -4.200 1.730 9.438 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -1.667 3.184 10.287 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -3.274 3.709 10.749 1.00 0.00 H new ATOM 0 HE ARG A 33 -3.499 1.318 11.746 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -0.485 3.142 11.496 1.00 0.00 H new ATOM 0 HH12 ARG A 33 0.248 2.346 12.893 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -2.550 0.301 13.538 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -0.916 0.745 14.044 1.00 0.00 H new ATOM 549 N TYR A 34 -4.727 -0.560 9.652 1.00 0.00 N ATOM 550 CA TYR A 34 -5.359 -1.299 10.737 1.00 0.00 C ATOM 551 C TYR A 34 -5.832 -2.666 10.258 1.00 0.00 C ATOM 552 O TYR A 34 -5.877 -3.624 11.030 1.00 0.00 O ATOM 553 CB TYR A 34 -6.537 -0.507 11.305 1.00 0.00 C ATOM 554 CG TYR A 34 -6.562 -0.457 12.817 1.00 0.00 C ATOM 555 CD1 TYR A 34 -6.990 -1.550 13.559 1.00 0.00 C ATOM 556 CD2 TYR A 34 -6.157 0.684 13.500 1.00 0.00 C ATOM 557 CE1 TYR A 34 -7.014 -1.508 14.941 1.00 0.00 C ATOM 558 CE2 TYR A 34 -6.179 0.732 14.881 1.00 0.00 C ATOM 559 CZ TYR A 34 -6.607 -0.365 15.596 1.00 0.00 C ATOM 560 OH TYR A 34 -6.630 -0.319 16.971 1.00 0.00 O ATOM 0 H TYR A 34 -5.278 0.220 9.295 1.00 0.00 H new ATOM 0 HA TYR A 34 -4.619 -1.446 11.524 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -6.500 0.511 10.917 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -7.467 -0.950 10.949 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -7.309 -2.447 13.049 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -5.820 1.546 12.943 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -7.350 -2.366 15.504 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -5.862 1.626 15.398 1.00 0.00 H new ATOM 0 HH TYR A 34 -6.311 0.557 17.274 1.00 0.00 H new ATOM 570 N ALA A 35 -6.185 -2.750 8.980 1.00 0.00 N ATOM 571 CA ALA A 35 -6.656 -3.998 8.399 1.00 0.00 C ATOM 572 C ALA A 35 -5.517 -4.996 8.247 1.00 0.00 C ATOM 573 O ALA A 35 -5.681 -6.187 8.515 1.00 0.00 O ATOM 574 CB ALA A 35 -7.322 -3.742 7.056 1.00 0.00 C ATOM 0 H ALA A 35 -6.153 -1.967 8.327 1.00 0.00 H new ATOM 0 HA ALA A 35 -7.393 -4.428 9.077 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -7.668 -4.686 6.636 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -8.171 -3.073 7.193 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.604 -3.283 6.376 1.00 0.00 H new ATOM 580 N CYS A 36 -4.361 -4.503 7.825 1.00 0.00 N ATOM 581 CA CYS A 36 -3.193 -5.353 7.648 1.00 0.00 C ATOM 582 C CYS A 36 -2.595 -5.713 9.001 1.00 0.00 C ATOM 583 O CYS A 36 -1.974 -6.765 9.160 1.00 0.00 O ATOM 584 CB CYS A 36 -2.144 -4.651 6.782 1.00 0.00 C ATOM 585 SG CYS A 36 -2.840 -3.680 5.406 1.00 0.00 S ATOM 0 H CYS A 36 -4.207 -3.520 7.599 1.00 0.00 H new ATOM 0 HA CYS A 36 -3.506 -6.267 7.144 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -1.550 -3.991 7.414 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -1.464 -5.400 6.376 1.00 0.00 H new ATOM 590 N ASP A 37 -2.791 -4.829 9.972 1.00 0.00 N ATOM 591 CA ASP A 37 -2.279 -5.044 11.320 1.00 0.00 C ATOM 592 C ASP A 37 -3.110 -6.085 12.061 1.00 0.00 C ATOM 593 O ASP A 37 -2.634 -6.719 13.003 1.00 0.00 O ATOM 594 CB ASP A 37 -2.272 -3.729 12.102 1.00 0.00 C ATOM 595 CG ASP A 37 -0.928 -3.030 12.049 1.00 0.00 C ATOM 596 OD1 ASP A 37 0.091 -3.681 12.362 1.00 0.00 O ATOM 597 OD2 ASP A 37 -0.894 -1.833 11.694 1.00 0.00 O ATOM 0 H ASP A 37 -3.302 -3.955 9.851 1.00 0.00 H new ATOM 0 HA ASP A 37 -1.258 -5.415 11.237 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.039 -3.067 11.700 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.535 -3.927 13.141 1.00 0.00 H new ATOM 602 N ASP A 38 -4.359 -6.249 11.633 1.00 0.00 N ATOM 603 CA ASP A 38 -5.266 -7.203 12.259 1.00 0.00 C ATOM 604 C ASP A 38 -4.701 -8.620 12.212 1.00 0.00 C ATOM 605 O ASP A 38 -4.827 -9.377 13.175 1.00 0.00 O ATOM 606 CB ASP A 38 -6.631 -7.166 11.572 1.00 0.00 C ATOM 607 CG ASP A 38 -7.773 -7.023 12.560 1.00 0.00 C ATOM 608 OD1 ASP A 38 -7.752 -6.062 13.357 1.00 0.00 O ATOM 609 OD2 ASP A 38 -8.688 -7.873 12.536 1.00 0.00 O ATOM 0 H ASP A 38 -4.765 -5.732 10.853 1.00 0.00 H new ATOM 0 HA ASP A 38 -5.380 -6.916 13.304 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -6.658 -6.335 10.868 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -6.768 -8.079 10.993 1.00 0.00 H new ATOM 614 N MET A 39 -4.078 -8.970 11.090 1.00 0.00 N ATOM 615 CA MET A 39 -3.494 -10.299 10.921 1.00 0.00 C ATOM 616 C MET A 39 -2.841 -10.454 9.550 1.00 0.00 C ATOM 617 O MET A 39 -1.923 -11.256 9.383 1.00 0.00 O ATOM 618 CB MET A 39 -4.565 -11.379 11.102 1.00 0.00 C ATOM 619 CG MET A 39 -5.775 -11.193 10.201 1.00 0.00 C ATOM 620 SD MET A 39 -6.399 -12.751 9.543 1.00 0.00 S ATOM 621 CE MET A 39 -7.792 -13.045 10.628 1.00 0.00 C ATOM 0 H MET A 39 -3.964 -8.354 10.285 1.00 0.00 H new ATOM 0 HA MET A 39 -2.724 -10.417 11.683 1.00 0.00 H new ATOM 0 HB2 MET A 39 -4.122 -12.355 10.904 1.00 0.00 H new ATOM 0 HB3 MET A 39 -4.893 -11.383 12.141 1.00 0.00 H new ATOM 0 HG2 MET A 39 -6.567 -10.697 10.762 1.00 0.00 H new ATOM 0 HG3 MET A 39 -5.509 -10.535 9.374 1.00 0.00 H new ATOM 0 HE1 MET A 39 -8.283 -13.977 10.346 1.00 0.00 H new ATOM 0 HE2 MET A 39 -7.442 -13.116 11.658 1.00 0.00 H new ATOM 0 HE3 MET A 39 -8.501 -12.221 10.542 1.00 0.00 H new ATOM 631 N GLU A 40 -3.328 -9.694 8.570 1.00 0.00 N ATOM 632 CA GLU A 40 -2.801 -9.755 7.210 1.00 0.00 C ATOM 633 C GLU A 40 -1.272 -9.720 7.201 1.00 0.00 C ATOM 634 O GLU A 40 -0.623 -10.767 7.203 1.00 0.00 O ATOM 635 CB GLU A 40 -3.362 -8.605 6.371 1.00 0.00 C ATOM 636 CG GLU A 40 -4.881 -8.565 6.331 1.00 0.00 C ATOM 637 CD GLU A 40 -5.500 -9.935 6.130 1.00 0.00 C ATOM 638 OE1 GLU A 40 -5.007 -10.690 5.264 1.00 0.00 O ATOM 639 OE2 GLU A 40 -6.478 -10.255 6.838 1.00 0.00 O ATOM 0 H GLU A 40 -4.089 -9.027 8.695 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.117 -10.702 6.772 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.993 -7.661 6.771 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -2.982 -8.690 5.353 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.253 -8.136 7.261 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.201 -7.905 5.525 1.00 0.00 H new ATOM 646 N GLY A 41 -0.700 -8.519 7.187 1.00 0.00 N ATOM 647 CA GLY A 41 0.750 -8.397 7.175 1.00 0.00 C ATOM 648 C GLY A 41 1.246 -7.059 7.686 1.00 0.00 C ATOM 649 O GLY A 41 1.448 -6.874 8.886 1.00 0.00 O ATOM 0 H GLY A 41 -1.208 -7.635 7.184 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.179 -9.192 7.785 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.111 -8.545 6.157 1.00 0.00 H new ATOM 653 N GLN A 42 1.467 -6.141 6.760 1.00 0.00 N ATOM 654 CA GLN A 42 1.973 -4.816 7.069 1.00 0.00 C ATOM 655 C GLN A 42 1.523 -3.871 5.982 1.00 0.00 C ATOM 656 O GLN A 42 1.152 -4.316 4.903 1.00 0.00 O ATOM 657 CB GLN A 42 3.501 -4.830 7.129 1.00 0.00 C ATOM 658 CG GLN A 42 4.125 -3.443 7.149 1.00 0.00 C ATOM 659 CD GLN A 42 5.638 -3.480 7.073 1.00 0.00 C ATOM 660 OE1 GLN A 42 6.297 -4.131 7.884 1.00 0.00 O ATOM 661 NE2 GLN A 42 6.196 -2.780 6.092 1.00 0.00 N ATOM 0 H GLN A 42 1.299 -6.296 5.766 1.00 0.00 H new ATOM 0 HA GLN A 42 1.591 -4.495 8.038 1.00 0.00 H new ATOM 0 HB2 GLN A 42 3.816 -5.373 8.020 1.00 0.00 H new ATOM 0 HB3 GLN A 42 3.885 -5.379 6.269 1.00 0.00 H new ATOM 0 HG2 GLN A 42 3.738 -2.863 6.311 1.00 0.00 H new ATOM 0 HG3 GLN A 42 3.824 -2.927 8.061 1.00 0.00 H new ATOM 0 HE21 GLN A 42 5.610 -2.255 5.443 1.00 0.00 H new ATOM 0 HE22 GLN A 42 7.211 -2.767 5.988 1.00 0.00 H new ATOM 670 N LEU A 43 1.555 -2.577 6.221 1.00 0.00 N ATOM 671 CA LEU A 43 1.148 -1.691 5.171 1.00 0.00 C ATOM 672 C LEU A 43 2.274 -1.675 4.151 1.00 0.00 C ATOM 673 O LEU A 43 3.391 -1.237 4.425 1.00 0.00 O ATOM 674 CB LEU A 43 0.877 -0.289 5.724 1.00 0.00 C ATOM 675 CG LEU A 43 -0.266 0.483 5.062 1.00 0.00 C ATOM 676 CD1 LEU A 43 -1.551 -0.326 5.083 1.00 0.00 C ATOM 677 CD2 LEU A 43 -0.470 1.818 5.756 1.00 0.00 C ATOM 0 H LEU A 43 1.846 -2.137 7.094 1.00 0.00 H new ATOM 0 HA LEU A 43 0.220 -2.028 4.709 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.662 -0.375 6.789 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.789 0.300 5.630 1.00 0.00 H new ATOM 0 HG LEU A 43 0.003 0.665 4.021 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.348 0.245 4.607 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.401 -1.261 4.543 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.827 -0.543 6.115 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.286 2.357 5.275 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.715 1.649 6.805 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.444 2.407 5.687 1.00 0.00 H new ATOM 689 N VAL A 44 1.944 -2.222 2.992 1.00 0.00 N ATOM 690 CA VAL A 44 2.857 -2.385 1.867 1.00 0.00 C ATOM 691 C VAL A 44 4.039 -1.429 1.872 1.00 0.00 C ATOM 692 O VAL A 44 5.180 -1.844 2.082 1.00 0.00 O ATOM 693 CB VAL A 44 2.097 -2.246 0.542 1.00 0.00 C ATOM 694 CG1 VAL A 44 1.834 -3.617 -0.047 1.00 0.00 C ATOM 695 CG2 VAL A 44 0.792 -1.492 0.757 1.00 0.00 C ATOM 0 H VAL A 44 1.007 -2.576 2.800 1.00 0.00 H new ATOM 0 HA VAL A 44 3.272 -3.387 1.974 1.00 0.00 H new ATOM 0 HB VAL A 44 2.706 -1.677 -0.160 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.294 -3.511 -0.988 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.782 -4.123 -0.228 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.236 -4.204 0.650 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.264 -1.401 -0.192 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.170 -2.036 1.468 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.007 -0.498 1.149 1.00 0.00 H new ATOM 705 N SER A 45 3.768 -0.168 1.603 1.00 0.00 N ATOM 706 CA SER A 45 4.820 0.843 1.537 1.00 0.00 C ATOM 707 C SER A 45 5.741 0.532 0.364 1.00 0.00 C ATOM 708 O SER A 45 6.938 0.296 0.535 1.00 0.00 O ATOM 709 CB SER A 45 5.623 0.881 2.836 1.00 0.00 C ATOM 710 OG SER A 45 6.079 2.192 3.114 1.00 0.00 O ATOM 0 H SER A 45 2.829 0.188 1.425 1.00 0.00 H new ATOM 0 HA SER A 45 4.360 1.821 1.396 1.00 0.00 H new ATOM 0 HB2 SER A 45 5.005 0.525 3.660 1.00 0.00 H new ATOM 0 HB3 SER A 45 6.474 0.205 2.761 1.00 0.00 H new ATOM 0 HG SER A 45 5.664 2.514 3.941 1.00 0.00 H new ATOM 716 N ILE A 46 5.153 0.516 -0.823 1.00 0.00 N ATOM 717 CA ILE A 46 5.876 0.212 -2.054 1.00 0.00 C ATOM 718 C ILE A 46 7.143 1.049 -2.185 1.00 0.00 C ATOM 719 O ILE A 46 7.128 2.262 -1.973 1.00 0.00 O ATOM 720 CB ILE A 46 4.994 0.425 -3.306 1.00 0.00 C ATOM 721 CG1 ILE A 46 3.671 1.110 -2.940 1.00 0.00 C ATOM 722 CG2 ILE A 46 4.729 -0.901 -4.002 1.00 0.00 C ATOM 723 CD1 ILE A 46 2.627 0.168 -2.372 1.00 0.00 C ATOM 0 H ILE A 46 4.162 0.713 -0.962 1.00 0.00 H new ATOM 0 HA ILE A 46 6.152 -0.841 -1.992 1.00 0.00 H new ATOM 0 HB ILE A 46 5.535 1.078 -3.991 1.00 0.00 H new ATOM 0 HG12 ILE A 46 3.870 1.897 -2.213 1.00 0.00 H new ATOM 0 HG13 ILE A 46 3.265 1.593 -3.829 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.107 -0.733 -4.881 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.675 -1.347 -4.307 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.215 -1.575 -3.317 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.721 0.727 -2.138 1.00 0.00 H new ATOM 0 HD12 ILE A 46 2.397 -0.605 -3.105 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.011 -0.296 -1.464 1.00 0.00 H new ATOM 735 N HIS A 47 8.241 0.385 -2.538 1.00 0.00 N ATOM 736 CA HIS A 47 9.527 1.050 -2.701 1.00 0.00 C ATOM 737 C HIS A 47 10.088 0.808 -4.101 1.00 0.00 C ATOM 738 O HIS A 47 11.146 1.327 -4.455 1.00 0.00 O ATOM 739 CB HIS A 47 10.518 0.549 -1.647 1.00 0.00 C ATOM 740 CG HIS A 47 11.785 1.344 -1.579 1.00 0.00 C ATOM 741 ND1 HIS A 47 13.025 0.770 -1.394 1.00 0.00 N ATOM 742 CD2 HIS A 47 12.002 2.679 -1.677 1.00 0.00 C ATOM 743 CE1 HIS A 47 13.949 1.716 -1.379 1.00 0.00 C ATOM 744 NE2 HIS A 47 13.354 2.881 -1.549 1.00 0.00 N ATOM 0 H HIS A 47 8.263 -0.619 -2.717 1.00 0.00 H new ATOM 0 HA HIS A 47 9.377 2.122 -2.569 1.00 0.00 H new ATOM 0 HB2 HIS A 47 10.035 0.569 -0.670 1.00 0.00 H new ATOM 0 HB3 HIS A 47 10.764 -0.491 -1.860 1.00 0.00 H new ATOM 0 HD1 HIS A 47 13.202 -0.229 -1.286 1.00 0.00 H new ATOM 0 HD2 HIS A 47 11.252 3.441 -1.828 1.00 0.00 H new ATOM 0 HE1 HIS A 47 15.010 1.561 -1.250 1.00 0.00 H new ATOM 753 N SER A 48 9.367 0.021 -4.898 1.00 0.00 N ATOM 754 CA SER A 48 9.791 -0.281 -6.253 1.00 0.00 C ATOM 755 C SER A 48 8.730 0.166 -7.247 1.00 0.00 C ATOM 756 O SER A 48 7.586 -0.280 -7.178 1.00 0.00 O ATOM 757 CB SER A 48 10.058 -1.778 -6.409 1.00 0.00 C ATOM 758 OG SER A 48 11.128 -2.016 -7.308 1.00 0.00 O ATOM 0 H SER A 48 8.487 -0.416 -4.624 1.00 0.00 H new ATOM 0 HA SER A 48 10.715 0.260 -6.455 1.00 0.00 H new ATOM 0 HB2 SER A 48 10.293 -2.212 -5.437 1.00 0.00 H new ATOM 0 HB3 SER A 48 9.158 -2.275 -6.771 1.00 0.00 H new ATOM 0 HG SER A 48 11.279 -2.981 -7.388 1.00 0.00 H new ATOM 764 N PRO A 49 9.091 1.056 -8.186 1.00 0.00 N ATOM 765 CA PRO A 49 8.155 1.554 -9.193 1.00 0.00 C ATOM 766 C PRO A 49 7.348 0.423 -9.816 1.00 0.00 C ATOM 767 O PRO A 49 6.204 0.614 -10.230 1.00 0.00 O ATOM 768 CB PRO A 49 9.072 2.210 -10.224 1.00 0.00 C ATOM 769 CG PRO A 49 10.246 2.669 -9.428 1.00 0.00 C ATOM 770 CD PRO A 49 10.437 1.644 -8.344 1.00 0.00 C ATOM 0 HA PRO A 49 7.413 2.237 -8.780 1.00 0.00 H new ATOM 0 HB2 PRO A 49 9.368 1.504 -11.000 1.00 0.00 H new ATOM 0 HB3 PRO A 49 8.578 3.044 -10.723 1.00 0.00 H new ATOM 0 HG2 PRO A 49 11.135 2.746 -10.053 1.00 0.00 H new ATOM 0 HG3 PRO A 49 10.068 3.657 -9.004 1.00 0.00 H new ATOM 0 HD2 PRO A 49 11.173 0.892 -8.628 1.00 0.00 H new ATOM 0 HD3 PRO A 49 10.788 2.099 -7.418 1.00 0.00 H new ATOM 778 N GLU A 50 7.947 -0.764 -9.859 1.00 0.00 N ATOM 779 CA GLU A 50 7.284 -1.936 -10.407 1.00 0.00 C ATOM 780 C GLU A 50 6.212 -2.440 -9.456 1.00 0.00 C ATOM 781 O GLU A 50 5.099 -2.757 -9.871 1.00 0.00 O ATOM 782 CB GLU A 50 8.294 -3.050 -10.672 1.00 0.00 C ATOM 783 CG GLU A 50 7.652 -4.353 -11.106 1.00 0.00 C ATOM 784 CD GLU A 50 8.581 -5.542 -10.951 1.00 0.00 C ATOM 785 OE1 GLU A 50 9.095 -5.752 -9.833 1.00 0.00 O ATOM 786 OE2 GLU A 50 8.795 -6.263 -11.949 1.00 0.00 O ATOM 0 H GLU A 50 8.893 -0.936 -9.519 1.00 0.00 H new ATOM 0 HA GLU A 50 6.817 -1.646 -11.348 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.991 -2.722 -11.443 1.00 0.00 H new ATOM 0 HB3 GLU A 50 8.877 -3.224 -9.768 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.750 -4.523 -10.518 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.343 -4.272 -12.148 1.00 0.00 H new ATOM 793 N GLU A 51 6.562 -2.522 -8.178 1.00 0.00 N ATOM 794 CA GLU A 51 5.634 -2.996 -7.165 1.00 0.00 C ATOM 795 C GLU A 51 4.443 -2.054 -7.045 1.00 0.00 C ATOM 796 O GLU A 51 3.296 -2.495 -6.975 1.00 0.00 O ATOM 797 CB GLU A 51 6.342 -3.132 -5.817 1.00 0.00 C ATOM 798 CG GLU A 51 7.416 -4.208 -5.799 1.00 0.00 C ATOM 799 CD GLU A 51 8.071 -4.355 -4.440 1.00 0.00 C ATOM 800 OE1 GLU A 51 8.582 -3.344 -3.915 1.00 0.00 O ATOM 801 OE2 GLU A 51 8.074 -5.482 -3.902 1.00 0.00 O ATOM 0 H GLU A 51 7.482 -2.266 -7.821 1.00 0.00 H new ATOM 0 HA GLU A 51 5.267 -3.977 -7.467 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.794 -2.175 -5.555 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.602 -3.356 -5.049 1.00 0.00 H new ATOM 0 HG2 GLU A 51 6.975 -5.161 -6.091 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.177 -3.969 -6.541 1.00 0.00 H new ATOM 808 N GLN A 52 4.722 -0.755 -7.035 1.00 0.00 N ATOM 809 CA GLN A 52 3.667 0.248 -6.935 1.00 0.00 C ATOM 810 C GLN A 52 2.759 0.169 -8.155 1.00 0.00 C ATOM 811 O GLN A 52 1.538 0.250 -8.042 1.00 0.00 O ATOM 812 CB GLN A 52 4.270 1.653 -6.785 1.00 0.00 C ATOM 813 CG GLN A 52 4.703 2.298 -8.098 1.00 0.00 C ATOM 814 CD GLN A 52 3.553 2.873 -8.916 1.00 0.00 C ATOM 815 OE1 GLN A 52 2.377 3.008 -8.309 1.00 0.00 O flip ATOM 816 NE2 GLN A 52 3.724 3.193 -10.092 1.00 0.00 N flip ATOM 0 H GLN A 52 5.666 -0.373 -7.095 1.00 0.00 H new ATOM 0 HA GLN A 52 3.069 0.046 -6.046 1.00 0.00 H new ATOM 0 HB2 GLN A 52 3.538 2.299 -6.301 1.00 0.00 H new ATOM 0 HB3 GLN A 52 5.132 1.596 -6.121 1.00 0.00 H new ATOM 0 HG2 GLN A 52 5.415 3.094 -7.882 1.00 0.00 H new ATOM 0 HG3 GLN A 52 5.228 1.556 -8.700 1.00 0.00 H new ATOM 0 HE21 GLN A 52 4.640 3.075 -10.525 1.00 0.00 H new ATOM 0 HE22 GLN A 52 2.950 3.576 -10.634 1.00 0.00 H new ATOM 825 N ASP A 53 3.369 -0.014 -9.317 1.00 0.00 N ATOM 826 CA ASP A 53 2.633 -0.134 -10.563 1.00 0.00 C ATOM 827 C ASP A 53 1.834 -1.428 -10.563 1.00 0.00 C ATOM 828 O ASP A 53 0.738 -1.502 -11.113 1.00 0.00 O ATOM 829 CB ASP A 53 3.590 -0.107 -11.756 1.00 0.00 C ATOM 830 CG ASP A 53 2.874 0.150 -13.067 1.00 0.00 C ATOM 831 OD1 ASP A 53 2.684 1.333 -13.418 1.00 0.00 O ATOM 832 OD2 ASP A 53 2.503 -0.833 -13.743 1.00 0.00 O ATOM 0 H ASP A 53 4.381 -0.083 -9.421 1.00 0.00 H new ATOM 0 HA ASP A 53 1.950 0.711 -10.651 1.00 0.00 H new ATOM 0 HB2 ASP A 53 4.341 0.667 -11.598 1.00 0.00 H new ATOM 0 HB3 ASP A 53 4.119 -1.058 -11.815 1.00 0.00 H new ATOM 837 N PHE A 54 2.418 -2.451 -9.950 1.00 0.00 N ATOM 838 CA PHE A 54 1.808 -3.764 -9.873 1.00 0.00 C ATOM 839 C PHE A 54 0.466 -3.722 -9.154 1.00 0.00 C ATOM 840 O PHE A 54 -0.539 -4.218 -9.665 1.00 0.00 O ATOM 841 CB PHE A 54 2.755 -4.696 -9.122 1.00 0.00 C ATOM 842 CG PHE A 54 3.256 -5.845 -9.943 1.00 0.00 C ATOM 843 CD1 PHE A 54 2.504 -6.998 -10.073 1.00 0.00 C ATOM 844 CD2 PHE A 54 4.486 -5.772 -10.574 1.00 0.00 C ATOM 845 CE1 PHE A 54 2.967 -8.060 -10.823 1.00 0.00 C ATOM 846 CE2 PHE A 54 4.957 -6.829 -11.324 1.00 0.00 C ATOM 847 CZ PHE A 54 4.197 -7.977 -11.450 1.00 0.00 C ATOM 0 H PHE A 54 3.328 -2.389 -9.494 1.00 0.00 H new ATOM 0 HA PHE A 54 1.630 -4.123 -10.887 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.608 -4.119 -8.764 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.243 -5.087 -8.243 1.00 0.00 H new ATOM 0 HD1 PHE A 54 1.544 -7.068 -9.583 1.00 0.00 H new ATOM 0 HD2 PHE A 54 5.083 -4.877 -10.478 1.00 0.00 H new ATOM 0 HE1 PHE A 54 2.370 -8.955 -10.920 1.00 0.00 H new ATOM 0 HE2 PHE A 54 5.918 -6.760 -11.812 1.00 0.00 H new ATOM 0 HZ PHE A 54 4.563 -8.807 -12.037 1.00 0.00 H new ATOM 857 N LEU A 55 0.452 -3.121 -7.973 1.00 0.00 N ATOM 858 CA LEU A 55 -0.773 -3.009 -7.192 1.00 0.00 C ATOM 859 C LEU A 55 -1.701 -1.967 -7.791 1.00 0.00 C ATOM 860 O LEU A 55 -2.916 -2.144 -7.804 1.00 0.00 O ATOM 861 CB LEU A 55 -0.467 -2.660 -5.744 1.00 0.00 C ATOM 862 CG LEU A 55 0.738 -1.758 -5.547 1.00 0.00 C ATOM 863 CD1 LEU A 55 0.289 -0.315 -5.451 1.00 0.00 C ATOM 864 CD2 LEU A 55 1.511 -2.176 -4.310 1.00 0.00 C ATOM 0 H LEU A 55 1.273 -2.704 -7.535 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.271 -3.978 -7.217 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.341 -2.175 -5.309 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.306 -3.584 -5.189 1.00 0.00 H new ATOM 0 HG LEU A 55 1.404 -1.853 -6.405 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.158 0.328 -5.310 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.226 -0.032 -6.369 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.389 -0.200 -4.605 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.372 -1.521 -4.181 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.865 -2.103 -3.435 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.852 -3.205 -4.424 1.00 0.00 H new ATOM 876 N THR A 56 -1.119 -0.877 -8.283 1.00 0.00 N ATOM 877 CA THR A 56 -1.899 0.188 -8.884 1.00 0.00 C ATOM 878 C THR A 56 -2.665 -0.360 -10.081 1.00 0.00 C ATOM 879 O THR A 56 -3.826 -0.016 -10.304 1.00 0.00 O ATOM 880 CB THR A 56 -0.989 1.353 -9.295 1.00 0.00 C ATOM 881 OG1 THR A 56 -1.360 2.540 -8.619 1.00 0.00 O ATOM 882 CG2 THR A 56 -1.003 1.652 -10.779 1.00 0.00 C ATOM 0 H THR A 56 -0.112 -0.713 -8.275 1.00 0.00 H new ATOM 0 HA THR A 56 -2.614 0.569 -8.155 1.00 0.00 H new ATOM 0 HB THR A 56 0.016 1.031 -9.022 1.00 0.00 H new ATOM 0 HG1 THR A 56 -0.826 3.289 -8.956 1.00 0.00 H new ATOM 0 HG21 THR A 56 -0.335 2.488 -10.988 1.00 0.00 H new ATOM 0 HG22 THR A 56 -0.669 0.773 -11.330 1.00 0.00 H new ATOM 0 HG23 THR A 56 -2.016 1.911 -11.088 1.00 0.00 H new ATOM 890 N LYS A 57 -2.009 -1.242 -10.828 1.00 0.00 N ATOM 891 CA LYS A 57 -2.625 -1.873 -11.981 1.00 0.00 C ATOM 892 C LYS A 57 -3.615 -2.922 -11.506 1.00 0.00 C ATOM 893 O LYS A 57 -4.672 -3.121 -12.105 1.00 0.00 O ATOM 894 CB LYS A 57 -1.563 -2.521 -12.869 1.00 0.00 C ATOM 895 CG LYS A 57 -0.854 -1.541 -13.788 1.00 0.00 C ATOM 896 CD LYS A 57 -1.698 -1.211 -15.009 1.00 0.00 C ATOM 897 CE LYS A 57 -2.383 0.138 -14.862 1.00 0.00 C ATOM 898 NZ LYS A 57 -3.676 0.187 -15.599 1.00 0.00 N ATOM 0 H LYS A 57 -1.048 -1.534 -10.652 1.00 0.00 H new ATOM 0 HA LYS A 57 -3.145 -1.116 -12.567 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.824 -3.012 -12.236 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.032 -3.298 -13.473 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.630 -0.625 -13.241 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.099 -1.964 -14.107 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.068 -1.206 -15.898 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.449 -1.988 -15.155 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -2.559 0.343 -13.806 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -1.724 0.922 -15.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -4.112 1.123 -15.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -3.506 0.017 -16.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -4.315 -0.545 -15.228 1.00 0.00 H new ATOM 912 N HIS A 58 -3.261 -3.582 -10.407 1.00 0.00 N ATOM 913 CA HIS A 58 -4.110 -4.605 -9.819 1.00 0.00 C ATOM 914 C HIS A 58 -5.375 -3.979 -9.247 1.00 0.00 C ATOM 915 O HIS A 58 -6.433 -4.608 -9.214 1.00 0.00 O ATOM 916 CB HIS A 58 -3.359 -5.351 -8.716 1.00 0.00 C ATOM 917 CG HIS A 58 -3.986 -6.662 -8.357 1.00 0.00 C ATOM 918 ND1 HIS A 58 -4.977 -6.786 -7.407 1.00 0.00 N ATOM 919 CD2 HIS A 58 -3.762 -7.910 -8.831 1.00 0.00 C ATOM 920 CE1 HIS A 58 -5.335 -8.054 -7.311 1.00 0.00 C ATOM 921 NE2 HIS A 58 -4.613 -8.756 -8.165 1.00 0.00 N ATOM 0 H HIS A 58 -2.387 -3.423 -9.906 1.00 0.00 H new ATOM 0 HA HIS A 58 -4.386 -5.313 -10.601 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -2.332 -5.523 -9.037 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -3.314 -4.722 -7.827 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -5.372 -6.019 -6.863 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -3.047 -8.188 -9.591 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -6.090 -8.449 -6.647 1.00 0.00 H new ATOM 930 N ALA A 59 -5.257 -2.732 -8.794 1.00 0.00 N ATOM 931 CA ALA A 59 -6.389 -2.016 -8.221 1.00 0.00 C ATOM 932 C ALA A 59 -7.489 -1.807 -9.255 1.00 0.00 C ATOM 933 O ALA A 59 -7.263 -1.205 -10.305 1.00 0.00 O ATOM 934 CB ALA A 59 -5.935 -0.678 -7.654 1.00 0.00 C ATOM 0 H ALA A 59 -4.388 -2.199 -8.814 1.00 0.00 H new ATOM 0 HA ALA A 59 -6.798 -2.622 -7.413 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.791 -0.154 -7.229 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.190 -0.846 -6.876 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -5.499 -0.075 -8.450 1.00 0.00 H new ATOM 940 N SER A 60 -8.682 -2.310 -8.951 1.00 0.00 N ATOM 941 CA SER A 60 -9.820 -2.178 -9.854 1.00 0.00 C ATOM 942 C SER A 60 -10.172 -0.711 -10.073 1.00 0.00 C ATOM 943 O SER A 60 -10.399 -0.278 -11.204 1.00 0.00 O ATOM 944 CB SER A 60 -11.032 -2.926 -9.294 1.00 0.00 C ATOM 945 OG SER A 60 -11.045 -2.891 -7.878 1.00 0.00 O ATOM 0 H SER A 60 -8.885 -2.812 -8.087 1.00 0.00 H new ATOM 0 HA SER A 60 -9.543 -2.615 -10.813 1.00 0.00 H new ATOM 0 HB2 SER A 60 -11.948 -2.480 -9.680 1.00 0.00 H new ATOM 0 HB3 SER A 60 -11.013 -3.961 -9.635 1.00 0.00 H new ATOM 0 HG SER A 60 -11.830 -3.374 -7.546 1.00 0.00 H new ATOM 951 N HIS A 61 -10.211 0.051 -8.985 1.00 0.00 N ATOM 952 CA HIS A 61 -10.531 1.472 -9.056 1.00 0.00 C ATOM 953 C HIS A 61 -9.259 2.310 -9.134 1.00 0.00 C ATOM 954 O HIS A 61 -9.296 3.529 -8.963 1.00 0.00 O ATOM 955 CB HIS A 61 -11.359 1.892 -7.839 1.00 0.00 C ATOM 956 CG HIS A 61 -12.481 2.824 -8.173 1.00 0.00 C ATOM 957 ND1 HIS A 61 -13.473 2.516 -9.079 1.00 0.00 N ATOM 958 CD2 HIS A 61 -12.765 4.067 -7.716 1.00 0.00 C ATOM 959 CE1 HIS A 61 -14.319 3.528 -9.165 1.00 0.00 C ATOM 960 NE2 HIS A 61 -13.912 4.481 -8.348 1.00 0.00 N ATOM 0 H HIS A 61 -10.025 -0.292 -8.043 1.00 0.00 H new ATOM 0 HA HIS A 61 -11.115 1.644 -9.960 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -11.767 1.001 -7.362 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -10.704 2.371 -7.111 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -12.196 4.628 -6.990 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -15.194 3.568 -9.796 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -14.374 5.379 -8.208 1.00 0.00 H new ATOM 969 N THR A 62 -8.136 1.645 -9.393 1.00 0.00 N ATOM 970 CA THR A 62 -6.847 2.321 -9.495 1.00 0.00 C ATOM 971 C THR A 62 -6.546 3.119 -8.229 1.00 0.00 C ATOM 972 O THR A 62 -6.209 4.302 -8.293 1.00 0.00 O ATOM 973 CB THR A 62 -6.825 3.245 -10.715 1.00 0.00 C ATOM 974 OG1 THR A 62 -7.685 2.756 -11.730 1.00 0.00 O ATOM 975 CG2 THR A 62 -5.447 3.407 -11.319 1.00 0.00 C ATOM 0 H THR A 62 -8.094 0.636 -9.536 1.00 0.00 H new ATOM 0 HA THR A 62 -6.076 1.560 -9.612 1.00 0.00 H new ATOM 0 HB THR A 62 -7.159 4.216 -10.348 1.00 0.00 H new ATOM 0 HG1 THR A 62 -7.659 3.361 -12.501 1.00 0.00 H new ATOM 0 HG21 THR A 62 -5.503 4.074 -12.179 1.00 0.00 H new ATOM 0 HG22 THR A 62 -4.771 3.830 -10.575 1.00 0.00 H new ATOM 0 HG23 THR A 62 -5.073 2.434 -11.638 1.00 0.00 H new ATOM 983 N GLY A 63 -6.670 2.463 -7.080 1.00 0.00 N ATOM 984 CA GLY A 63 -6.408 3.126 -5.816 1.00 0.00 C ATOM 985 C GLY A 63 -6.090 2.149 -4.702 1.00 0.00 C ATOM 986 O GLY A 63 -6.975 1.452 -4.212 1.00 0.00 O ATOM 0 H GLY A 63 -6.947 1.485 -7.002 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -5.574 3.817 -5.938 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -7.277 3.722 -5.535 1.00 0.00 H new ATOM 990 N SER A 64 -4.823 2.104 -4.298 1.00 0.00 N ATOM 991 CA SER A 64 -4.388 1.207 -3.230 1.00 0.00 C ATOM 992 C SER A 64 -3.772 2.000 -2.082 1.00 0.00 C ATOM 993 O SER A 64 -3.405 3.162 -2.251 1.00 0.00 O ATOM 994 CB SER A 64 -3.379 0.189 -3.766 1.00 0.00 C ATOM 995 OG SER A 64 -2.135 0.297 -3.096 1.00 0.00 O ATOM 0 H SER A 64 -4.079 2.678 -4.694 1.00 0.00 H new ATOM 0 HA SER A 64 -5.261 0.673 -2.855 1.00 0.00 H new ATOM 0 HB2 SER A 64 -3.775 -0.819 -3.642 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.234 0.345 -4.835 1.00 0.00 H new ATOM 0 HG SER A 64 -1.649 1.078 -3.433 1.00 0.00 H new ATOM 1001 N TRP A 65 -3.654 1.374 -0.914 1.00 0.00 N ATOM 1002 CA TRP A 65 -3.072 2.054 0.240 1.00 0.00 C ATOM 1003 C TRP A 65 -1.687 1.512 0.534 1.00 0.00 C ATOM 1004 O TRP A 65 -1.476 0.301 0.561 1.00 0.00 O ATOM 1005 CB TRP A 65 -3.969 1.921 1.473 1.00 0.00 C ATOM 1006 CG TRP A 65 -5.083 2.921 1.495 1.00 0.00 C ATOM 1007 CD1 TRP A 65 -4.964 4.276 1.616 1.00 0.00 C ATOM 1008 CD2 TRP A 65 -6.483 2.648 1.385 1.00 0.00 C ATOM 1009 NE1 TRP A 65 -6.206 4.863 1.587 1.00 0.00 N ATOM 1010 CE2 TRP A 65 -7.155 3.882 1.445 1.00 0.00 C ATOM 1011 CE3 TRP A 65 -7.233 1.478 1.241 1.00 0.00 C ATOM 1012 CZ2 TRP A 65 -8.542 3.977 1.365 1.00 0.00 C ATOM 1013 CZ3 TRP A 65 -8.609 1.575 1.162 1.00 0.00 C ATOM 1014 CH2 TRP A 65 -9.250 2.816 1.222 1.00 0.00 C ATOM 0 H TRP A 65 -3.948 0.413 -0.742 1.00 0.00 H new ATOM 0 HA TRP A 65 -2.989 3.113 -0.004 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -4.389 0.916 1.503 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -3.363 2.040 2.371 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -4.030 4.808 1.719 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -6.392 5.863 1.659 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -6.746 0.515 1.192 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -9.041 4.934 1.414 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -9.199 0.677 1.052 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -10.327 2.859 1.154 1.00 0.00 H new ATOM 1025 N ILE A 66 -0.744 2.420 0.736 1.00 0.00 N ATOM 1026 CA ILE A 66 0.630 2.038 1.010 1.00 0.00 C ATOM 1027 C ILE A 66 1.032 2.373 2.436 1.00 0.00 C ATOM 1028 O ILE A 66 0.343 3.115 3.134 1.00 0.00 O ATOM 1029 CB ILE A 66 1.601 2.714 0.024 1.00 0.00 C ATOM 1030 CG1 ILE A 66 1.958 4.128 0.494 1.00 0.00 C ATOM 1031 CG2 ILE A 66 0.981 2.749 -1.364 1.00 0.00 C ATOM 1032 CD1 ILE A 66 2.480 5.022 -0.608 1.00 0.00 C ATOM 0 H ILE A 66 -0.907 3.427 0.715 1.00 0.00 H new ATOM 0 HA ILE A 66 0.690 0.957 0.881 1.00 0.00 H new ATOM 0 HB ILE A 66 2.523 2.134 -0.015 1.00 0.00 H new ATOM 0 HG12 ILE A 66 1.074 4.589 0.935 1.00 0.00 H new ATOM 0 HG13 ILE A 66 2.709 4.061 1.281 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.671 3.228 -2.059 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.778 1.731 -1.698 1.00 0.00 H new ATOM 0 HG23 ILE A 66 0.049 3.313 -1.332 1.00 0.00 H new ATOM 0 HD11 ILE A 66 2.711 6.006 -0.200 1.00 0.00 H new ATOM 0 HD12 ILE A 66 3.383 4.585 -1.034 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.723 5.121 -1.386 1.00 0.00 H new ATOM 1044 N GLY A 67 2.152 1.805 2.857 1.00 0.00 N ATOM 1045 CA GLY A 67 2.651 2.029 4.198 1.00 0.00 C ATOM 1046 C GLY A 67 3.333 3.369 4.355 1.00 0.00 C ATOM 1047 O GLY A 67 4.478 3.440 4.799 1.00 0.00 O ATOM 0 H GLY A 67 2.729 1.187 2.287 1.00 0.00 H new ATOM 0 HA2 GLY A 67 1.823 1.963 4.904 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.354 1.237 4.456 1.00 0.00 H new ATOM 1051 N LEU A 68 2.631 4.433 3.993 1.00 0.00 N ATOM 1052 CA LEU A 68 3.183 5.773 4.100 1.00 0.00 C ATOM 1053 C LEU A 68 2.269 6.705 4.895 1.00 0.00 C ATOM 1054 O LEU A 68 1.088 6.854 4.583 1.00 0.00 O ATOM 1055 CB LEU A 68 3.431 6.357 2.708 1.00 0.00 C ATOM 1056 CG LEU A 68 4.751 7.100 2.547 1.00 0.00 C ATOM 1057 CD1 LEU A 68 4.815 7.786 1.194 1.00 0.00 C ATOM 1058 CD2 LEU A 68 4.922 8.104 3.672 1.00 0.00 C ATOM 0 H LEU A 68 1.681 4.394 3.624 1.00 0.00 H new ATOM 0 HA LEU A 68 4.128 5.693 4.637 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.396 5.547 1.979 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.616 7.039 2.466 1.00 0.00 H new ATOM 0 HG LEU A 68 5.569 6.381 2.598 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.765 8.312 1.097 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.731 7.040 0.404 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.995 8.499 1.109 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.868 8.631 3.549 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.102 8.821 3.647 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.919 7.582 4.629 1.00 0.00 H new ATOM 1070 N ARG A 69 2.843 7.345 5.908 1.00 0.00 N ATOM 1071 CA ARG A 69 2.115 8.291 6.747 1.00 0.00 C ATOM 1072 C ARG A 69 2.985 9.515 7.032 1.00 0.00 C ATOM 1073 O ARG A 69 4.079 9.389 7.580 1.00 0.00 O ATOM 1074 CB ARG A 69 1.687 7.621 8.056 1.00 0.00 C ATOM 1075 CG ARG A 69 1.484 8.591 9.210 1.00 0.00 C ATOM 1076 CD ARG A 69 2.534 8.399 10.291 1.00 0.00 C ATOM 1077 NE ARG A 69 2.330 9.304 11.419 1.00 0.00 N ATOM 1078 CZ ARG A 69 2.169 8.895 12.675 1.00 0.00 C ATOM 1079 NH1 ARG A 69 2.189 7.600 12.962 1.00 0.00 N ATOM 1080 NH2 ARG A 69 1.987 9.781 13.644 1.00 0.00 N ATOM 0 H ARG A 69 3.821 7.224 6.170 1.00 0.00 H new ATOM 0 HA ARG A 69 1.219 8.615 6.217 1.00 0.00 H new ATOM 0 HB2 ARG A 69 0.759 7.075 7.886 1.00 0.00 H new ATOM 0 HB3 ARG A 69 2.441 6.887 8.340 1.00 0.00 H new ATOM 0 HG2 ARG A 69 1.527 9.615 8.838 1.00 0.00 H new ATOM 0 HG3 ARG A 69 0.491 8.448 9.636 1.00 0.00 H new ATOM 0 HD2 ARG A 69 2.507 7.368 10.644 1.00 0.00 H new ATOM 0 HD3 ARG A 69 3.525 8.565 9.868 1.00 0.00 H new ATOM 0 HE ARG A 69 2.310 10.307 11.233 1.00 0.00 H new ATOM 0 HH11 ARG A 69 2.328 6.915 12.219 1.00 0.00 H new ATOM 0 HH12 ARG A 69 2.065 7.289 13.926 1.00 0.00 H new ATOM 0 HH21 ARG A 69 1.970 10.778 13.427 1.00 0.00 H new ATOM 0 HH22 ARG A 69 1.864 9.466 14.606 1.00 0.00 H new ATOM 1094 N ASN A 70 2.502 10.697 6.662 1.00 0.00 N ATOM 1095 CA ASN A 70 3.258 11.924 6.889 1.00 0.00 C ATOM 1096 C ASN A 70 3.018 12.462 8.296 1.00 0.00 C ATOM 1097 O ASN A 70 1.972 12.218 8.897 1.00 0.00 O ATOM 1098 CB ASN A 70 2.891 12.980 5.845 1.00 0.00 C ATOM 1099 CG ASN A 70 3.845 14.157 5.853 1.00 0.00 C ATOM 1100 OD1 ASN A 70 3.601 15.111 6.745 1.00 0.00 O flip ATOM 1101 ND2 ASN A 70 4.790 14.212 5.067 1.00 0.00 N flip ATOM 0 H ASN A 70 1.599 10.831 6.208 1.00 0.00 H new ATOM 0 HA ASN A 70 4.318 11.690 6.791 1.00 0.00 H new ATOM 0 HB2 ASN A 70 2.890 12.523 4.855 1.00 0.00 H new ATOM 0 HB3 ASN A 70 1.878 13.336 6.033 1.00 0.00 H new ATOM 0 HD21 ASN A 70 4.941 13.457 4.398 1.00 0.00 H new ATOM 0 HD22 ASN A 70 5.422 15.012 5.085 1.00 0.00 H new ATOM 1108 N LEU A 71 4.005 13.187 8.817 1.00 0.00 N ATOM 1109 CA LEU A 71 3.919 13.756 10.158 1.00 0.00 C ATOM 1110 C LEU A 71 2.681 14.635 10.313 1.00 0.00 C ATOM 1111 O LEU A 71 1.619 14.158 10.714 1.00 0.00 O ATOM 1112 CB LEU A 71 5.180 14.566 10.470 1.00 0.00 C ATOM 1113 CG LEU A 71 6.242 13.821 11.280 1.00 0.00 C ATOM 1114 CD1 LEU A 71 7.635 14.156 10.770 1.00 0.00 C ATOM 1115 CD2 LEU A 71 6.118 14.159 12.758 1.00 0.00 C ATOM 0 H LEU A 71 4.876 13.394 8.328 1.00 0.00 H new ATOM 0 HA LEU A 71 3.837 12.931 10.866 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.625 14.894 9.530 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.891 15.464 11.016 1.00 0.00 H new ATOM 0 HG LEU A 71 6.081 12.750 11.157 1.00 0.00 H new ATOM 0 HD11 LEU A 71 8.377 13.617 11.358 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.719 13.864 9.723 1.00 0.00 H new ATOM 0 HD13 LEU A 71 7.808 15.228 10.862 1.00 0.00 H new ATOM 0 HD21 LEU A 71 6.881 13.620 13.320 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.253 15.231 12.899 1.00 0.00 H new ATOM 0 HD23 LEU A 71 5.131 13.868 13.116 1.00 0.00 H new ATOM 1127 N ASP A 72 2.822 15.922 10.002 1.00 0.00 N ATOM 1128 CA ASP A 72 1.711 16.857 10.119 1.00 0.00 C ATOM 1129 C ASP A 72 1.676 17.829 8.944 1.00 0.00 C ATOM 1130 O ASP A 72 2.343 18.864 8.962 1.00 0.00 O ATOM 1131 CB ASP A 72 1.808 17.634 11.433 1.00 0.00 C ATOM 1132 CG ASP A 72 0.472 17.747 12.139 1.00 0.00 C ATOM 1133 OD1 ASP A 72 -0.124 16.696 12.453 1.00 0.00 O ATOM 1134 OD2 ASP A 72 0.021 18.888 12.377 1.00 0.00 O ATOM 0 H ASP A 72 3.692 16.337 9.669 1.00 0.00 H new ATOM 0 HA ASP A 72 0.787 16.278 10.109 1.00 0.00 H new ATOM 0 HB2 ASP A 72 2.523 17.141 12.091 1.00 0.00 H new ATOM 0 HB3 ASP A 72 2.196 18.633 11.233 1.00 0.00 H new ATOM 1139 N LEU A 73 0.884 17.490 7.930 1.00 0.00 N ATOM 1140 CA LEU A 73 0.742 18.330 6.744 1.00 0.00 C ATOM 1141 C LEU A 73 2.092 18.604 6.083 1.00 0.00 C ATOM 1142 O LEU A 73 2.548 17.831 5.241 1.00 0.00 O ATOM 1143 CB LEU A 73 0.059 19.650 7.109 1.00 0.00 C ATOM 1144 CG LEU A 73 -1.334 19.507 7.728 1.00 0.00 C ATOM 1145 CD1 LEU A 73 -1.255 19.598 9.244 1.00 0.00 C ATOM 1146 CD2 LEU A 73 -2.272 20.569 7.176 1.00 0.00 C ATOM 0 H LEU A 73 0.328 16.635 7.906 1.00 0.00 H new ATOM 0 HA LEU A 73 0.123 17.789 6.028 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.697 20.191 7.808 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.020 20.262 6.210 1.00 0.00 H new ATOM 0 HG LEU A 73 -1.731 18.527 7.464 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.254 19.494 9.667 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -0.616 18.801 9.624 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.839 20.564 9.529 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.258 20.453 7.626 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.880 21.558 7.411 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.352 20.458 6.095 1.00 0.00 H new ATOM 1158 N LYS A 74 2.723 19.713 6.461 1.00 0.00 N ATOM 1159 CA LYS A 74 4.015 20.094 5.896 1.00 0.00 C ATOM 1160 C LYS A 74 5.148 19.254 6.479 1.00 0.00 C ATOM 1161 O LYS A 74 6.322 19.518 6.222 1.00 0.00 O ATOM 1162 CB LYS A 74 4.287 21.578 6.150 1.00 0.00 C ATOM 1163 CG LYS A 74 4.155 21.981 7.610 1.00 0.00 C ATOM 1164 CD LYS A 74 5.045 23.168 7.942 1.00 0.00 C ATOM 1165 CE LYS A 74 4.263 24.472 7.921 1.00 0.00 C ATOM 1166 NZ LYS A 74 3.565 24.722 9.212 1.00 0.00 N ATOM 0 H LYS A 74 2.360 20.364 7.157 1.00 0.00 H new ATOM 0 HA LYS A 74 3.974 19.912 4.822 1.00 0.00 H new ATOM 0 HB2 LYS A 74 5.293 21.818 5.805 1.00 0.00 H new ATOM 0 HB3 LYS A 74 3.595 22.173 5.554 1.00 0.00 H new ATOM 0 HG2 LYS A 74 3.117 22.231 7.827 1.00 0.00 H new ATOM 0 HG3 LYS A 74 4.419 21.137 8.247 1.00 0.00 H new ATOM 0 HD2 LYS A 74 5.491 23.026 8.926 1.00 0.00 H new ATOM 0 HD3 LYS A 74 5.864 23.222 7.225 1.00 0.00 H new ATOM 0 HE2 LYS A 74 4.941 25.299 7.709 1.00 0.00 H new ATOM 0 HE3 LYS A 74 3.532 24.444 7.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 3.044 25.620 9.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 2.899 23.946 9.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 4.264 24.774 9.980 1.00 0.00 H new ATOM 1180 N GLY A 75 4.792 18.239 7.261 1.00 0.00 N ATOM 1181 CA GLY A 75 5.796 17.379 7.860 1.00 0.00 C ATOM 1182 C GLY A 75 6.481 16.491 6.839 1.00 0.00 C ATOM 1183 O GLY A 75 6.275 16.644 5.635 1.00 0.00 O ATOM 0 H GLY A 75 3.828 17.997 7.490 1.00 0.00 H new ATOM 0 HA2 GLY A 75 6.543 17.993 8.363 1.00 0.00 H new ATOM 0 HA3 GLY A 75 5.329 16.757 8.623 1.00 0.00 H new ATOM 1187 N GLU A 76 7.293 15.556 7.322 1.00 0.00 N ATOM 1188 CA GLU A 76 8.007 14.635 6.449 1.00 0.00 C ATOM 1189 C GLU A 76 7.293 13.292 6.394 1.00 0.00 C ATOM 1190 O GLU A 76 6.867 12.760 7.421 1.00 0.00 O ATOM 1191 CB GLU A 76 9.445 14.445 6.935 1.00 0.00 C ATOM 1192 CG GLU A 76 10.130 15.741 7.336 1.00 0.00 C ATOM 1193 CD GLU A 76 11.153 15.543 8.437 1.00 0.00 C ATOM 1194 OE1 GLU A 76 12.318 15.231 8.115 1.00 0.00 O ATOM 1195 OE2 GLU A 76 10.789 15.701 9.622 1.00 0.00 O ATOM 0 H GLU A 76 7.472 15.417 8.316 1.00 0.00 H new ATOM 0 HA GLU A 76 8.029 15.061 5.446 1.00 0.00 H new ATOM 0 HB2 GLU A 76 9.444 13.766 7.787 1.00 0.00 H new ATOM 0 HB3 GLU A 76 10.026 13.966 6.146 1.00 0.00 H new ATOM 0 HG2 GLU A 76 10.620 16.174 6.464 1.00 0.00 H new ATOM 0 HG3 GLU A 76 9.378 16.457 7.668 1.00 0.00 H new ATOM 1202 N PHE A 77 7.157 12.751 5.191 1.00 0.00 N ATOM 1203 CA PHE A 77 6.484 11.476 5.001 1.00 0.00 C ATOM 1204 C PHE A 77 7.313 10.314 5.545 1.00 0.00 C ATOM 1205 O PHE A 77 8.445 10.077 5.124 1.00 0.00 O ATOM 1206 CB PHE A 77 6.138 11.259 3.519 1.00 0.00 C ATOM 1207 CG PHE A 77 7.281 11.391 2.538 1.00 0.00 C ATOM 1208 CD1 PHE A 77 8.538 11.843 2.921 1.00 0.00 C ATOM 1209 CD2 PHE A 77 7.078 11.057 1.207 1.00 0.00 C ATOM 1210 CE1 PHE A 77 9.562 11.958 2.000 1.00 0.00 C ATOM 1211 CE2 PHE A 77 8.099 11.174 0.285 1.00 0.00 C ATOM 1212 CZ PHE A 77 9.341 11.625 0.681 1.00 0.00 C ATOM 0 H PHE A 77 7.505 13.177 4.332 1.00 0.00 H new ATOM 0 HA PHE A 77 5.554 11.506 5.569 1.00 0.00 H new ATOM 0 HB2 PHE A 77 5.707 10.264 3.410 1.00 0.00 H new ATOM 0 HB3 PHE A 77 5.364 11.974 3.240 1.00 0.00 H new ATOM 0 HD1 PHE A 77 8.717 12.108 3.953 1.00 0.00 H new ATOM 0 HD2 PHE A 77 6.109 10.701 0.888 1.00 0.00 H new ATOM 0 HE1 PHE A 77 10.534 12.308 2.314 1.00 0.00 H new ATOM 0 HE2 PHE A 77 7.925 10.912 -0.748 1.00 0.00 H new ATOM 0 HZ PHE A 77 10.139 11.717 -0.041 1.00 0.00 H new ATOM 1222 N ILE A 78 6.726 9.598 6.498 1.00 0.00 N ATOM 1223 CA ILE A 78 7.373 8.461 7.133 1.00 0.00 C ATOM 1224 C ILE A 78 6.535 7.201 6.952 1.00 0.00 C ATOM 1225 O ILE A 78 5.312 7.249 7.020 1.00 0.00 O ATOM 1226 CB ILE A 78 7.598 8.725 8.637 1.00 0.00 C ATOM 1227 CG1 ILE A 78 8.986 9.342 8.853 1.00 0.00 C ATOM 1228 CG2 ILE A 78 7.414 7.449 9.453 1.00 0.00 C ATOM 1229 CD1 ILE A 78 10.010 8.401 9.458 1.00 0.00 C ATOM 0 H ILE A 78 5.788 9.791 6.850 1.00 0.00 H new ATOM 0 HA ILE A 78 8.342 8.317 6.655 1.00 0.00 H new ATOM 0 HB ILE A 78 6.849 9.435 8.988 1.00 0.00 H new ATOM 0 HG12 ILE A 78 9.363 9.700 7.895 1.00 0.00 H new ATOM 0 HG13 ILE A 78 8.885 10.213 9.501 1.00 0.00 H new ATOM 0 HG21 ILE A 78 7.579 7.665 10.509 1.00 0.00 H new ATOM 0 HG22 ILE A 78 6.401 7.071 9.314 1.00 0.00 H new ATOM 0 HG23 ILE A 78 8.131 6.698 9.120 1.00 0.00 H new ATOM 0 HD11 ILE A 78 10.960 8.923 9.574 1.00 0.00 H new ATOM 0 HD12 ILE A 78 9.661 8.062 10.433 1.00 0.00 H new ATOM 0 HD13 ILE A 78 10.146 7.541 8.802 1.00 0.00 H new ATOM 1241 N TRP A 79 7.198 6.076 6.723 1.00 0.00 N ATOM 1242 CA TRP A 79 6.494 4.814 6.529 1.00 0.00 C ATOM 1243 C TRP A 79 5.961 4.276 7.851 1.00 0.00 C ATOM 1244 O TRP A 79 6.527 4.533 8.913 1.00 0.00 O ATOM 1245 CB TRP A 79 7.422 3.779 5.889 1.00 0.00 C ATOM 1246 CG TRP A 79 7.863 4.137 4.501 1.00 0.00 C ATOM 1247 CD1 TRP A 79 7.340 5.108 3.696 1.00 0.00 C ATOM 1248 CD2 TRP A 79 8.918 3.520 3.753 1.00 0.00 C ATOM 1249 NE1 TRP A 79 8.006 5.134 2.494 1.00 0.00 N ATOM 1250 CE2 TRP A 79 8.980 4.169 2.506 1.00 0.00 C ATOM 1251 CE3 TRP A 79 9.818 2.484 4.019 1.00 0.00 C ATOM 1252 CZ2 TRP A 79 9.905 3.815 1.527 1.00 0.00 C ATOM 1253 CZ3 TRP A 79 10.736 2.134 3.048 1.00 0.00 C ATOM 1254 CH2 TRP A 79 10.774 2.797 1.815 1.00 0.00 C ATOM 0 H TRP A 79 8.214 6.010 6.667 1.00 0.00 H new ATOM 0 HA TRP A 79 5.651 5.001 5.864 1.00 0.00 H new ATOM 0 HB2 TRP A 79 8.303 3.655 6.519 1.00 0.00 H new ATOM 0 HB3 TRP A 79 6.912 2.816 5.861 1.00 0.00 H new ATOM 0 HD1 TRP A 79 6.522 5.760 3.965 1.00 0.00 H new ATOM 0 HE1 TRP A 79 7.808 5.768 1.720 1.00 0.00 H new ATOM 0 HE3 TRP A 79 9.796 1.967 4.967 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 9.936 4.325 0.575 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 11.436 1.335 3.243 1.00 0.00 H new ATOM 0 HH2 TRP A 79 11.504 2.499 1.076 1.00 0.00 H new ATOM 1265 N VAL A 80 4.864 3.529 7.772 1.00 0.00 N ATOM 1266 CA VAL A 80 4.241 2.942 8.954 1.00 0.00 C ATOM 1267 C VAL A 80 5.219 2.023 9.679 1.00 0.00 C ATOM 1268 O VAL A 80 5.107 1.801 10.885 1.00 0.00 O ATOM 1269 CB VAL A 80 2.974 2.145 8.570 1.00 0.00 C ATOM 1270 CG1 VAL A 80 3.208 1.377 7.283 1.00 0.00 C ATOM 1271 CG2 VAL A 80 2.549 1.207 9.692 1.00 0.00 C ATOM 0 H VAL A 80 4.386 3.315 6.897 1.00 0.00 H new ATOM 0 HA VAL A 80 3.958 3.758 9.619 1.00 0.00 H new ATOM 0 HB VAL A 80 2.162 2.854 8.410 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.308 0.820 7.023 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.447 2.075 6.481 1.00 0.00 H new ATOM 0 HG13 VAL A 80 4.038 0.683 7.419 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.655 0.661 9.391 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.353 0.501 9.900 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.335 1.787 10.590 1.00 0.00 H new ATOM 1281 N ASP A 81 6.186 1.497 8.933 1.00 0.00 N ATOM 1282 CA ASP A 81 7.191 0.605 9.496 1.00 0.00 C ATOM 1283 C ASP A 81 8.237 1.398 10.269 1.00 0.00 C ATOM 1284 O ASP A 81 9.168 0.830 10.842 1.00 0.00 O ATOM 1285 CB ASP A 81 7.865 -0.201 8.385 1.00 0.00 C ATOM 1286 CG ASP A 81 8.550 -1.448 8.910 1.00 0.00 C ATOM 1287 OD1 ASP A 81 7.903 -2.212 9.656 1.00 0.00 O ATOM 1288 OD2 ASP A 81 9.734 -1.660 8.575 1.00 0.00 O ATOM 0 H ASP A 81 6.294 1.675 7.934 1.00 0.00 H new ATOM 0 HA ASP A 81 6.695 -0.081 10.182 1.00 0.00 H new ATOM 0 HB2 ASP A 81 7.120 -0.485 7.642 1.00 0.00 H new ATOM 0 HB3 ASP A 81 8.598 0.427 7.878 1.00 0.00 H new ATOM 1293 N GLY A 82 8.071 2.716 10.283 1.00 0.00 N ATOM 1294 CA GLY A 82 8.997 3.575 10.990 1.00 0.00 C ATOM 1295 C GLY A 82 10.250 3.872 10.191 1.00 0.00 C ATOM 1296 O GLY A 82 11.355 3.865 10.734 1.00 0.00 O ATOM 0 H GLY A 82 7.308 3.205 9.815 1.00 0.00 H new ATOM 0 HA2 GLY A 82 8.499 4.512 11.238 1.00 0.00 H new ATOM 0 HA3 GLY A 82 9.276 3.103 11.932 1.00 0.00 H new ATOM 1300 N SER A 83 10.083 4.136 8.898 1.00 0.00 N ATOM 1301 CA SER A 83 11.217 4.437 8.032 1.00 0.00 C ATOM 1302 C SER A 83 10.870 5.533 7.028 1.00 0.00 C ATOM 1303 O SER A 83 9.951 5.381 6.225 1.00 0.00 O ATOM 1304 CB SER A 83 11.667 3.176 7.292 1.00 0.00 C ATOM 1305 OG SER A 83 12.982 2.805 7.669 1.00 0.00 O ATOM 0 H SER A 83 9.177 4.147 8.429 1.00 0.00 H new ATOM 0 HA SER A 83 12.032 4.796 8.660 1.00 0.00 H new ATOM 0 HB2 SER A 83 10.979 2.359 7.508 1.00 0.00 H new ATOM 0 HB3 SER A 83 11.629 3.349 6.216 1.00 0.00 H new ATOM 0 HG SER A 83 13.245 1.995 7.184 1.00 0.00 H new ATOM 1311 N HIS A 84 11.616 6.634 7.077 1.00 0.00 N ATOM 1312 CA HIS A 84 11.395 7.754 6.174 1.00 0.00 C ATOM 1313 C HIS A 84 11.354 7.281 4.724 1.00 0.00 C ATOM 1314 O HIS A 84 12.032 6.322 4.355 1.00 0.00 O ATOM 1315 CB HIS A 84 12.496 8.796 6.355 1.00 0.00 C ATOM 1316 CG HIS A 84 13.876 8.254 6.139 1.00 0.00 C ATOM 1317 ND1 HIS A 84 14.543 7.496 7.079 1.00 0.00 N ATOM 1318 CD2 HIS A 84 14.715 8.362 5.081 1.00 0.00 C ATOM 1319 CE1 HIS A 84 15.732 7.163 6.610 1.00 0.00 C ATOM 1320 NE2 HIS A 84 15.861 7.675 5.399 1.00 0.00 N ATOM 0 H HIS A 84 12.382 6.772 7.737 1.00 0.00 H new ATOM 0 HA HIS A 84 10.433 8.206 6.414 1.00 0.00 H new ATOM 0 HB2 HIS A 84 12.325 9.618 5.660 1.00 0.00 H new ATOM 0 HB3 HIS A 84 12.431 9.210 7.361 1.00 0.00 H new ATOM 0 HD2 HIS A 84 14.519 8.890 4.159 1.00 0.00 H new ATOM 0 HE1 HIS A 84 16.473 6.572 7.128 1.00 0.00 H new ATOM 0 HE2 HIS A 84 16.679 7.576 4.798 1.00 0.00 H new ATOM 1329 N VAL A 85 10.549 7.955 3.911 1.00 0.00 N ATOM 1330 CA VAL A 85 10.413 7.599 2.504 1.00 0.00 C ATOM 1331 C VAL A 85 11.720 7.805 1.744 1.00 0.00 C ATOM 1332 O VAL A 85 12.536 8.652 2.108 1.00 0.00 O ATOM 1333 CB VAL A 85 9.295 8.415 1.838 1.00 0.00 C ATOM 1334 CG1 VAL A 85 9.082 7.971 0.402 1.00 0.00 C ATOM 1335 CG2 VAL A 85 8.012 8.285 2.634 1.00 0.00 C ATOM 0 H VAL A 85 9.981 8.751 4.202 1.00 0.00 H new ATOM 0 HA VAL A 85 10.155 6.541 2.465 1.00 0.00 H new ATOM 0 HB VAL A 85 9.594 9.463 1.823 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.285 8.564 -0.048 1.00 0.00 H new ATOM 0 HG12 VAL A 85 10.003 8.113 -0.163 1.00 0.00 H new ATOM 0 HG13 VAL A 85 8.804 6.917 0.384 1.00 0.00 H new ATOM 0 HG21 VAL A 85 7.225 8.867 2.154 1.00 0.00 H new ATOM 0 HG22 VAL A 85 7.714 7.237 2.676 1.00 0.00 H new ATOM 0 HG23 VAL A 85 8.172 8.657 3.646 1.00 0.00 H new ATOM 1345 N ASP A 86 11.912 7.017 0.688 1.00 0.00 N ATOM 1346 CA ASP A 86 13.121 7.103 -0.123 1.00 0.00 C ATOM 1347 C ASP A 86 12.811 7.596 -1.535 1.00 0.00 C ATOM 1348 O ASP A 86 13.033 8.763 -1.857 1.00 0.00 O ATOM 1349 CB ASP A 86 13.809 5.738 -0.189 1.00 0.00 C ATOM 1350 CG ASP A 86 14.262 5.254 1.174 1.00 0.00 C ATOM 1351 OD1 ASP A 86 13.403 4.807 1.963 1.00 0.00 O ATOM 1352 OD2 ASP A 86 15.479 5.322 1.454 1.00 0.00 O ATOM 0 H ASP A 86 11.245 6.312 0.375 1.00 0.00 H new ATOM 0 HA ASP A 86 13.789 7.824 0.349 1.00 0.00 H new ATOM 0 HB2 ASP A 86 13.124 5.009 -0.621 1.00 0.00 H new ATOM 0 HB3 ASP A 86 14.670 5.800 -0.855 1.00 0.00 H new ATOM 1357 N TYR A 87 12.311 6.696 -2.378 1.00 0.00 N ATOM 1358 CA TYR A 87 11.986 7.037 -3.759 1.00 0.00 C ATOM 1359 C TYR A 87 10.740 7.910 -3.845 1.00 0.00 C ATOM 1360 O TYR A 87 10.775 9.001 -4.414 1.00 0.00 O ATOM 1361 CB TYR A 87 11.785 5.766 -4.590 1.00 0.00 C ATOM 1362 CG TYR A 87 13.037 5.304 -5.302 1.00 0.00 C ATOM 1363 CD1 TYR A 87 13.469 5.928 -6.465 1.00 0.00 C ATOM 1364 CD2 TYR A 87 13.787 4.244 -4.808 1.00 0.00 C ATOM 1365 CE1 TYR A 87 14.612 5.509 -7.117 1.00 0.00 C ATOM 1366 CE2 TYR A 87 14.932 3.818 -5.456 1.00 0.00 C ATOM 1367 CZ TYR A 87 15.340 4.454 -6.608 1.00 0.00 C ATOM 1368 OH TYR A 87 16.480 4.035 -7.255 1.00 0.00 O ATOM 0 H TYR A 87 12.122 5.725 -2.128 1.00 0.00 H new ATOM 0 HA TYR A 87 12.826 7.604 -4.161 1.00 0.00 H new ATOM 0 HB2 TYR A 87 11.432 4.967 -3.937 1.00 0.00 H new ATOM 0 HB3 TYR A 87 11.002 5.944 -5.327 1.00 0.00 H new ATOM 0 HD1 TYR A 87 12.902 6.755 -6.866 1.00 0.00 H new ATOM 0 HD2 TYR A 87 13.471 3.745 -3.904 1.00 0.00 H new ATOM 0 HE1 TYR A 87 14.934 6.005 -8.021 1.00 0.00 H new ATOM 0 HE2 TYR A 87 15.503 2.991 -5.061 1.00 0.00 H new ATOM 0 HH TYR A 87 16.875 3.283 -6.767 1.00 0.00 H new ATOM 1378 N SER A 88 9.640 7.413 -3.286 1.00 0.00 N ATOM 1379 CA SER A 88 8.363 8.127 -3.302 1.00 0.00 C ATOM 1380 C SER A 88 7.885 8.352 -4.732 1.00 0.00 C ATOM 1381 O SER A 88 8.678 8.622 -5.634 1.00 0.00 O ATOM 1382 CB SER A 88 8.465 9.463 -2.560 1.00 0.00 C ATOM 1383 OG SER A 88 9.775 9.688 -2.069 1.00 0.00 O ATOM 0 H SER A 88 9.606 6.511 -2.812 1.00 0.00 H new ATOM 0 HA SER A 88 7.632 7.506 -2.785 1.00 0.00 H new ATOM 0 HB2 SER A 88 8.183 10.275 -3.230 1.00 0.00 H new ATOM 0 HB3 SER A 88 7.758 9.474 -1.731 1.00 0.00 H new ATOM 0 HG SER A 88 9.729 10.219 -1.246 1.00 0.00 H new ATOM 1389 N ASN A 89 6.581 8.221 -4.939 1.00 0.00 N ATOM 1390 CA ASN A 89 6.002 8.394 -6.263 1.00 0.00 C ATOM 1391 C ASN A 89 5.632 9.853 -6.527 1.00 0.00 C ATOM 1392 O ASN A 89 5.853 10.356 -7.628 1.00 0.00 O ATOM 1393 CB ASN A 89 4.787 7.477 -6.420 1.00 0.00 C ATOM 1394 CG ASN A 89 4.905 6.560 -7.620 1.00 0.00 C ATOM 1395 OD1 ASN A 89 4.368 5.353 -7.490 1.00 0.00 O flip ATOM 1396 ND2 ASN A 89 5.470 6.929 -8.648 1.00 0.00 N flip ATOM 0 H ASN A 89 5.906 7.996 -4.208 1.00 0.00 H new ATOM 0 HA ASN A 89 6.750 8.117 -7.006 1.00 0.00 H new ATOM 0 HB2 ASN A 89 4.670 6.877 -5.518 1.00 0.00 H new ATOM 0 HB3 ASN A 89 3.887 8.084 -6.518 1.00 0.00 H new ATOM 0 HD21 ASN A 89 5.868 7.866 -8.703 1.00 0.00 H new ATOM 0 HD22 ASN A 89 5.540 6.298 -9.446 1.00 0.00 H new ATOM 1403 N TRP A 90 5.091 10.528 -5.506 1.00 0.00 N ATOM 1404 CA TRP A 90 4.705 11.941 -5.609 1.00 0.00 C ATOM 1405 C TRP A 90 4.383 12.350 -7.047 1.00 0.00 C ATOM 1406 O TRP A 90 5.242 12.872 -7.760 1.00 0.00 O ATOM 1407 CB TRP A 90 5.824 12.830 -5.067 1.00 0.00 C ATOM 1408 CG TRP A 90 5.940 12.809 -3.575 1.00 0.00 C ATOM 1409 CD1 TRP A 90 5.639 11.770 -2.745 1.00 0.00 C ATOM 1410 CD2 TRP A 90 6.392 13.878 -2.735 1.00 0.00 C ATOM 1411 NE1 TRP A 90 5.878 12.123 -1.443 1.00 0.00 N ATOM 1412 CE2 TRP A 90 6.341 13.412 -1.409 1.00 0.00 C ATOM 1413 CE3 TRP A 90 6.838 15.181 -2.974 1.00 0.00 C ATOM 1414 CZ2 TRP A 90 6.718 14.200 -0.326 1.00 0.00 C ATOM 1415 CZ3 TRP A 90 7.212 15.965 -1.897 1.00 0.00 C ATOM 1416 CH2 TRP A 90 7.151 15.471 -0.588 1.00 0.00 C ATOM 0 H TRP A 90 4.909 10.114 -4.591 1.00 0.00 H new ATOM 0 HA TRP A 90 3.801 12.072 -5.015 1.00 0.00 H new ATOM 0 HB2 TRP A 90 6.772 12.511 -5.501 1.00 0.00 H new ATOM 0 HB3 TRP A 90 5.652 13.855 -5.395 1.00 0.00 H new ATOM 0 HD1 TRP A 90 5.266 10.809 -3.067 1.00 0.00 H new ATOM 0 HE1 TRP A 90 5.734 11.523 -0.631 1.00 0.00 H new ATOM 0 HE3 TRP A 90 6.890 15.569 -3.981 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 6.671 13.822 0.685 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 7.556 16.974 -2.069 1.00 0.00 H new ATOM 0 HH2 TRP A 90 7.452 16.107 0.232 1.00 0.00 H new ATOM 1427 N ALA A 91 3.144 12.117 -7.462 1.00 0.00 N ATOM 1428 CA ALA A 91 2.711 12.468 -8.811 1.00 0.00 C ATOM 1429 C ALA A 91 2.937 13.952 -9.093 1.00 0.00 C ATOM 1430 O ALA A 91 2.441 14.812 -8.365 1.00 0.00 O ATOM 1431 CB ALA A 91 1.246 12.112 -9.006 1.00 0.00 C ATOM 0 H ALA A 91 2.421 11.687 -6.885 1.00 0.00 H new ATOM 0 HA ALA A 91 3.311 11.894 -9.517 1.00 0.00 H new ATOM 0 HB1 ALA A 91 0.938 12.380 -10.017 1.00 0.00 H new ATOM 0 HB2 ALA A 91 1.109 11.041 -8.857 1.00 0.00 H new ATOM 0 HB3 ALA A 91 0.639 12.660 -8.285 1.00 0.00 H new ATOM 1437 N PRO A 92 3.693 14.273 -10.159 1.00 0.00 N ATOM 1438 CA PRO A 92 3.986 15.654 -10.533 1.00 0.00 C ATOM 1439 C PRO A 92 2.884 16.273 -11.389 1.00 0.00 C ATOM 1440 O PRO A 92 2.978 17.430 -11.798 1.00 0.00 O ATOM 1441 CB PRO A 92 5.272 15.513 -11.340 1.00 0.00 C ATOM 1442 CG PRO A 92 5.157 14.179 -12.000 1.00 0.00 C ATOM 1443 CD PRO A 92 4.328 13.312 -11.082 1.00 0.00 C ATOM 0 HA PRO A 92 4.068 16.311 -9.667 1.00 0.00 H new ATOM 0 HB2 PRO A 92 5.369 16.312 -12.075 1.00 0.00 H new ATOM 0 HB3 PRO A 92 6.151 15.563 -10.697 1.00 0.00 H new ATOM 0 HG2 PRO A 92 4.684 14.270 -12.978 1.00 0.00 H new ATOM 0 HG3 PRO A 92 6.142 13.741 -12.162 1.00 0.00 H new ATOM 0 HD2 PRO A 92 3.584 12.741 -11.637 1.00 0.00 H new ATOM 0 HD3 PRO A 92 4.947 12.593 -10.546 1.00 0.00 H new ATOM 1451 N GLY A 93 1.840 15.493 -11.656 1.00 0.00 N ATOM 1452 CA GLY A 93 0.737 15.980 -12.463 1.00 0.00 C ATOM 1453 C GLY A 93 -0.287 16.749 -11.648 1.00 0.00 C ATOM 1454 O GLY A 93 -1.325 17.155 -12.171 1.00 0.00 O ATOM 0 H GLY A 93 1.739 14.533 -11.327 1.00 0.00 H new ATOM 0 HA2 GLY A 93 1.125 16.624 -13.252 1.00 0.00 H new ATOM 0 HA3 GLY A 93 0.248 15.137 -12.951 1.00 0.00 H new ATOM 1458 N GLU A 94 0.005 16.948 -10.367 1.00 0.00 N ATOM 1459 CA GLU A 94 -0.900 17.673 -9.482 1.00 0.00 C ATOM 1460 C GLU A 94 -0.146 18.258 -8.289 1.00 0.00 C ATOM 1461 O GLU A 94 -0.199 17.717 -7.185 1.00 0.00 O ATOM 1462 CB GLU A 94 -2.016 16.748 -8.992 1.00 0.00 C ATOM 1463 CG GLU A 94 -3.318 17.473 -8.696 1.00 0.00 C ATOM 1464 CD GLU A 94 -4.509 16.535 -8.651 1.00 0.00 C ATOM 1465 OE1 GLU A 94 -4.567 15.693 -7.730 1.00 0.00 O ATOM 1466 OE2 GLU A 94 -5.384 16.645 -9.536 1.00 0.00 O ATOM 0 H GLU A 94 0.860 16.618 -9.919 1.00 0.00 H new ATOM 0 HA GLU A 94 -1.340 18.495 -10.047 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -2.199 15.982 -9.745 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -1.682 16.235 -8.090 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -3.232 17.992 -7.741 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -3.488 18.234 -9.458 1.00 0.00 H new ATOM 1473 N PRO A 95 0.570 19.378 -8.497 1.00 0.00 N ATOM 1474 CA PRO A 95 1.336 20.034 -7.434 1.00 0.00 C ATOM 1475 C PRO A 95 0.436 20.741 -6.424 1.00 0.00 C ATOM 1476 O PRO A 95 -0.002 21.869 -6.651 1.00 0.00 O ATOM 1477 CB PRO A 95 2.192 21.051 -8.190 1.00 0.00 C ATOM 1478 CG PRO A 95 1.412 21.359 -9.421 1.00 0.00 C ATOM 1479 CD PRO A 95 0.690 20.089 -9.785 1.00 0.00 C ATOM 0 HA PRO A 95 1.916 19.320 -6.849 1.00 0.00 H new ATOM 0 HB2 PRO A 95 2.361 21.948 -7.594 1.00 0.00 H new ATOM 0 HB3 PRO A 95 3.172 20.641 -8.434 1.00 0.00 H new ATOM 0 HG2 PRO A 95 0.707 22.171 -9.243 1.00 0.00 H new ATOM 0 HG3 PRO A 95 2.069 21.679 -10.229 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -0.287 20.294 -10.222 1.00 0.00 H new ATOM 0 HD3 PRO A 95 1.250 19.505 -10.515 1.00 0.00 H new ATOM 1487 N THR A 96 0.166 20.067 -5.308 1.00 0.00 N ATOM 1488 CA THR A 96 -0.681 20.626 -4.258 1.00 0.00 C ATOM 1489 C THR A 96 -2.049 21.020 -4.809 1.00 0.00 C ATOM 1490 O THR A 96 -2.422 20.625 -5.914 1.00 0.00 O ATOM 1491 CB THR A 96 -0.005 21.840 -3.617 1.00 0.00 C ATOM 1492 OG1 THR A 96 1.391 21.819 -3.854 1.00 0.00 O ATOM 1493 CG2 THR A 96 -0.216 21.922 -2.121 1.00 0.00 C ATOM 0 H THR A 96 0.522 19.132 -5.108 1.00 0.00 H new ATOM 0 HA THR A 96 -0.825 19.858 -3.498 1.00 0.00 H new ATOM 0 HB THR A 96 -0.471 22.709 -4.081 1.00 0.00 H new ATOM 0 HG1 THR A 96 1.805 22.604 -3.438 1.00 0.00 H new ATOM 0 HG21 THR A 96 0.289 22.805 -1.730 1.00 0.00 H new ATOM 0 HG22 THR A 96 -1.283 21.990 -1.907 1.00 0.00 H new ATOM 0 HG23 THR A 96 0.193 21.030 -1.646 1.00 0.00 H new ATOM 1501 N SER A 97 -2.794 21.799 -4.031 1.00 0.00 N ATOM 1502 CA SER A 97 -4.121 22.246 -4.440 1.00 0.00 C ATOM 1503 C SER A 97 -4.456 23.597 -3.818 1.00 0.00 C ATOM 1504 O SER A 97 -4.728 24.568 -4.524 1.00 0.00 O ATOM 1505 CB SER A 97 -5.176 21.213 -4.041 1.00 0.00 C ATOM 1506 OG SER A 97 -6.365 21.382 -4.792 1.00 0.00 O ATOM 0 H SER A 97 -2.501 22.134 -3.113 1.00 0.00 H new ATOM 0 HA SER A 97 -4.121 22.355 -5.525 1.00 0.00 H new ATOM 0 HB2 SER A 97 -4.783 20.208 -4.197 1.00 0.00 H new ATOM 0 HB3 SER A 97 -5.397 21.307 -2.978 1.00 0.00 H new ATOM 0 HG SER A 97 -7.023 20.709 -4.519 1.00 0.00 H new ATOM 1512 N ARG A 98 -4.432 23.653 -2.489 1.00 0.00 N ATOM 1513 CA ARG A 98 -4.731 24.886 -1.768 1.00 0.00 C ATOM 1514 C ARG A 98 -4.134 24.854 -0.366 1.00 0.00 C ATOM 1515 O ARG A 98 -3.381 25.748 0.020 1.00 0.00 O ATOM 1516 CB ARG A 98 -6.244 25.098 -1.688 1.00 0.00 C ATOM 1517 CG ARG A 98 -6.715 26.379 -2.358 1.00 0.00 C ATOM 1518 CD ARG A 98 -8.231 26.440 -2.441 1.00 0.00 C ATOM 1519 NE ARG A 98 -8.797 27.347 -1.447 1.00 0.00 N ATOM 1520 CZ ARG A 98 -9.811 27.027 -0.648 1.00 0.00 C ATOM 1521 NH1 ARG A 98 -10.367 25.825 -0.726 1.00 0.00 N ATOM 1522 NH2 ARG A 98 -10.269 27.908 0.230 1.00 0.00 N ATOM 0 H ARG A 98 -4.208 22.858 -1.890 1.00 0.00 H new ATOM 0 HA ARG A 98 -4.283 25.716 -2.314 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -6.746 24.249 -2.152 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -6.546 25.113 -0.641 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -6.345 27.239 -1.800 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -6.292 26.443 -3.360 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -8.527 26.765 -3.438 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -8.643 25.441 -2.296 1.00 0.00 H new ATOM 0 HE ARG A 98 -8.392 28.279 -1.360 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -10.017 25.144 -1.400 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -11.145 25.582 -0.112 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -9.844 28.833 0.294 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -11.047 27.661 0.842 1.00 0.00 H new ATOM 1536 N SER A 99 -4.477 23.818 0.395 1.00 0.00 N ATOM 1537 CA SER A 99 -3.976 23.668 1.756 1.00 0.00 C ATOM 1538 C SER A 99 -4.012 22.206 2.190 1.00 0.00 C ATOM 1539 O SER A 99 -4.068 21.903 3.382 1.00 0.00 O ATOM 1540 CB SER A 99 -4.801 24.520 2.722 1.00 0.00 C ATOM 1541 OG SER A 99 -6.187 24.269 2.568 1.00 0.00 O ATOM 0 H SER A 99 -5.100 23.070 0.091 1.00 0.00 H new ATOM 0 HA SER A 99 -2.941 24.009 1.776 1.00 0.00 H new ATOM 0 HB2 SER A 99 -4.501 24.305 3.748 1.00 0.00 H new ATOM 0 HB3 SER A 99 -4.598 25.576 2.545 1.00 0.00 H new ATOM 0 HG SER A 99 -6.692 24.825 3.198 1.00 0.00 H new ATOM 1547 N GLN A 100 -3.979 21.304 1.214 1.00 0.00 N ATOM 1548 CA GLN A 100 -4.008 19.874 1.494 1.00 0.00 C ATOM 1549 C GLN A 100 -2.677 19.403 2.071 1.00 0.00 C ATOM 1550 O GLN A 100 -1.755 19.057 1.330 1.00 0.00 O ATOM 1551 CB GLN A 100 -4.331 19.090 0.219 1.00 0.00 C ATOM 1552 CG GLN A 100 -5.310 17.948 0.437 1.00 0.00 C ATOM 1553 CD GLN A 100 -6.668 18.220 -0.179 1.00 0.00 C ATOM 1554 OE1 GLN A 100 -6.815 18.239 -1.401 1.00 0.00 O ATOM 1555 NE2 GLN A 100 -7.670 18.432 0.667 1.00 0.00 N ATOM 0 H GLN A 100 -3.932 21.539 0.222 1.00 0.00 H new ATOM 0 HA GLN A 100 -4.788 19.691 2.233 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -4.743 19.774 -0.523 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -3.406 18.690 -0.195 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -4.898 17.034 0.010 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -5.428 17.775 1.507 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -7.502 18.407 1.673 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -8.607 18.620 0.311 1.00 0.00 H new ATOM 1564 N GLY A 101 -2.583 19.392 3.397 1.00 0.00 N ATOM 1565 CA GLY A 101 -1.361 18.960 4.051 1.00 0.00 C ATOM 1566 C GLY A 101 -1.115 17.473 3.893 1.00 0.00 C ATOM 1567 O GLY A 101 -2.059 16.689 3.803 1.00 0.00 O ATOM 0 H GLY A 101 -3.331 19.674 4.030 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -0.516 19.511 3.637 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -1.413 19.206 5.112 1.00 0.00 H new ATOM 1571 N GLU A 102 0.155 17.084 3.855 1.00 0.00 N ATOM 1572 CA GLU A 102 0.519 15.680 3.700 1.00 0.00 C ATOM 1573 C GLU A 102 0.296 14.905 4.997 1.00 0.00 C ATOM 1574 O GLU A 102 0.760 15.309 6.063 1.00 0.00 O ATOM 1575 CB GLU A 102 1.981 15.555 3.265 1.00 0.00 C ATOM 1576 CG GLU A 102 2.250 16.110 1.876 1.00 0.00 C ATOM 1577 CD GLU A 102 3.661 16.642 1.724 1.00 0.00 C ATOM 1578 OE1 GLU A 102 4.614 15.847 1.867 1.00 0.00 O ATOM 1579 OE2 GLU A 102 3.814 17.855 1.462 1.00 0.00 O ATOM 0 H GLU A 102 0.949 17.720 3.929 1.00 0.00 H new ATOM 0 HA GLU A 102 -0.123 15.252 2.930 1.00 0.00 H new ATOM 0 HB2 GLU A 102 2.612 16.077 3.985 1.00 0.00 H new ATOM 0 HB3 GLU A 102 2.271 14.505 3.290 1.00 0.00 H new ATOM 0 HG2 GLU A 102 2.079 15.327 1.137 1.00 0.00 H new ATOM 0 HG3 GLU A 102 1.540 16.909 1.664 1.00 0.00 H new ATOM 1586 N ASP A 103 -0.414 13.785 4.891 1.00 0.00 N ATOM 1587 CA ASP A 103 -0.699 12.942 6.048 1.00 0.00 C ATOM 1588 C ASP A 103 -0.770 11.476 5.632 1.00 0.00 C ATOM 1589 O ASP A 103 -0.380 10.584 6.385 1.00 0.00 O ATOM 1590 CB ASP A 103 -2.014 13.364 6.705 1.00 0.00 C ATOM 1591 CG ASP A 103 -2.452 12.403 7.793 1.00 0.00 C ATOM 1592 OD1 ASP A 103 -1.591 11.977 8.591 1.00 0.00 O ATOM 1593 OD2 ASP A 103 -3.656 12.076 7.847 1.00 0.00 O ATOM 0 H ASP A 103 -0.803 13.440 4.014 1.00 0.00 H new ATOM 0 HA ASP A 103 0.108 13.064 6.770 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -1.901 14.362 7.129 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -2.793 13.427 5.945 1.00 0.00 H new ATOM 1598 N CYS A 104 -1.263 11.242 4.421 1.00 0.00 N ATOM 1599 CA CYS A 104 -1.381 9.892 3.882 1.00 0.00 C ATOM 1600 C CYS A 104 -1.143 9.908 2.378 1.00 0.00 C ATOM 1601 O CYS A 104 -1.516 10.859 1.686 1.00 0.00 O ATOM 1602 CB CYS A 104 -2.763 9.306 4.188 1.00 0.00 C ATOM 1603 SG CYS A 104 -3.812 10.385 5.218 1.00 0.00 S ATOM 0 H CYS A 104 -1.589 11.975 3.791 1.00 0.00 H new ATOM 0 HA CYS A 104 -0.627 9.264 4.356 1.00 0.00 H new ATOM 0 HB2 CYS A 104 -3.278 9.105 3.248 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -2.637 8.349 4.693 1.00 0.00 H new ATOM 1608 N VAL A 105 -0.513 8.859 1.874 1.00 0.00 N ATOM 1609 CA VAL A 105 -0.226 8.766 0.454 1.00 0.00 C ATOM 1610 C VAL A 105 -1.099 7.713 -0.215 1.00 0.00 C ATOM 1611 O VAL A 105 -1.167 6.566 0.231 1.00 0.00 O ATOM 1612 CB VAL A 105 1.258 8.455 0.203 1.00 0.00 C ATOM 1613 CG1 VAL A 105 1.494 8.110 -1.256 1.00 0.00 C ATOM 1614 CG2 VAL A 105 2.113 9.640 0.616 1.00 0.00 C ATOM 0 H VAL A 105 -0.192 8.063 2.426 1.00 0.00 H new ATOM 0 HA VAL A 105 -0.454 9.737 0.015 1.00 0.00 H new ATOM 0 HB VAL A 105 1.541 7.591 0.805 1.00 0.00 H new ATOM 0 HG11 VAL A 105 2.551 7.893 -1.412 1.00 0.00 H new ATOM 0 HG12 VAL A 105 0.901 7.236 -1.524 1.00 0.00 H new ATOM 0 HG13 VAL A 105 1.200 8.953 -1.881 1.00 0.00 H new ATOM 0 HG21 VAL A 105 3.163 9.412 0.435 1.00 0.00 H new ATOM 0 HG22 VAL A 105 1.827 10.516 0.034 1.00 0.00 H new ATOM 0 HG23 VAL A 105 1.964 9.844 1.676 1.00 0.00 H new ATOM 1624 N MET A 106 -1.773 8.120 -1.281 1.00 0.00 N ATOM 1625 CA MET A 106 -2.661 7.236 -2.021 1.00 0.00 C ATOM 1626 C MET A 106 -2.280 7.197 -3.494 1.00 0.00 C ATOM 1627 O MET A 106 -1.479 8.002 -3.956 1.00 0.00 O ATOM 1628 CB MET A 106 -4.111 7.694 -1.870 1.00 0.00 C ATOM 1629 CG MET A 106 -4.404 9.023 -2.547 1.00 0.00 C ATOM 1630 SD MET A 106 -4.821 10.325 -1.372 1.00 0.00 S ATOM 1631 CE MET A 106 -4.368 11.783 -2.308 1.00 0.00 C ATOM 0 H MET A 106 -1.720 9.067 -1.656 1.00 0.00 H new ATOM 0 HA MET A 106 -2.560 6.231 -1.610 1.00 0.00 H new ATOM 0 HB2 MET A 106 -4.769 6.931 -2.286 1.00 0.00 H new ATOM 0 HB3 MET A 106 -4.349 7.776 -0.809 1.00 0.00 H new ATOM 0 HG2 MET A 106 -3.535 9.329 -3.129 1.00 0.00 H new ATOM 0 HG3 MET A 106 -5.228 8.895 -3.249 1.00 0.00 H new ATOM 0 HE1 MET A 106 -5.060 12.593 -2.078 1.00 0.00 H new ATOM 0 HE2 MET A 106 -3.355 12.085 -2.043 1.00 0.00 H new ATOM 0 HE3 MET A 106 -4.413 11.560 -3.374 1.00 0.00 H new ATOM 1641 N MET A 107 -2.861 6.260 -4.229 1.00 0.00 N ATOM 1642 CA MET A 107 -2.580 6.130 -5.654 1.00 0.00 C ATOM 1643 C MET A 107 -3.864 6.255 -6.463 1.00 0.00 C ATOM 1644 O MET A 107 -4.857 5.592 -6.170 1.00 0.00 O ATOM 1645 CB MET A 107 -1.924 4.783 -5.963 1.00 0.00 C ATOM 1646 CG MET A 107 -2.041 3.760 -4.849 1.00 0.00 C ATOM 1647 SD MET A 107 -0.453 3.015 -4.430 1.00 0.00 S ATOM 1648 CE MET A 107 0.279 2.841 -6.057 1.00 0.00 C ATOM 0 H MET A 107 -3.528 5.580 -3.865 1.00 0.00 H new ATOM 0 HA MET A 107 -1.894 6.931 -5.930 1.00 0.00 H new ATOM 0 HB2 MET A 107 -2.374 4.372 -6.866 1.00 0.00 H new ATOM 0 HB3 MET A 107 -0.868 4.948 -6.180 1.00 0.00 H new ATOM 0 HG2 MET A 107 -2.460 4.238 -3.963 1.00 0.00 H new ATOM 0 HG3 MET A 107 -2.738 2.978 -5.149 1.00 0.00 H new ATOM 0 HE1 MET A 107 1.313 2.510 -5.957 1.00 0.00 H new ATOM 0 HE2 MET A 107 -0.284 2.106 -6.632 1.00 0.00 H new ATOM 0 HE3 MET A 107 0.254 3.801 -6.572 1.00 0.00 H new ATOM 1658 N ARG A 108 -3.834 7.111 -7.481 1.00 0.00 N ATOM 1659 CA ARG A 108 -4.998 7.330 -8.339 1.00 0.00 C ATOM 1660 C ARG A 108 -4.722 8.416 -9.373 1.00 0.00 C ATOM 1661 O ARG A 108 -5.403 8.498 -10.395 1.00 0.00 O ATOM 1662 CB ARG A 108 -6.217 7.722 -7.499 1.00 0.00 C ATOM 1663 CG ARG A 108 -7.535 7.234 -8.077 1.00 0.00 C ATOM 1664 CD ARG A 108 -8.222 8.319 -8.892 1.00 0.00 C ATOM 1665 NE ARG A 108 -8.556 7.863 -10.238 1.00 0.00 N ATOM 1666 CZ ARG A 108 -9.177 8.617 -11.140 1.00 0.00 C ATOM 1667 NH1 ARG A 108 -9.531 9.860 -10.840 1.00 0.00 N ATOM 1668 NH2 ARG A 108 -9.445 8.130 -12.344 1.00 0.00 N ATOM 0 H ARG A 108 -3.016 7.666 -7.733 1.00 0.00 H new ATOM 0 HA ARG A 108 -5.205 6.396 -8.861 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -6.100 7.319 -6.493 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -6.250 8.808 -7.406 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -7.357 6.362 -8.707 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -8.192 6.914 -7.268 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -9.131 8.636 -8.381 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -7.572 9.191 -8.956 1.00 0.00 H new ATOM 0 HE ARG A 108 -8.298 6.912 -10.501 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -9.327 10.239 -9.915 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -10.007 10.436 -11.534 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -9.175 7.175 -12.580 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -9.922 8.710 -13.034 1.00 0.00 H new ATOM 1682 N GLY A 109 -3.723 9.250 -9.098 1.00 0.00 N ATOM 1683 CA GLY A 109 -3.377 10.326 -10.010 1.00 0.00 C ATOM 1684 C GLY A 109 -3.178 9.846 -11.434 1.00 0.00 C ATOM 1685 O GLY A 109 -3.995 10.126 -12.311 1.00 0.00 O ATOM 0 H GLY A 109 -3.146 9.200 -8.258 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -4.165 11.079 -9.992 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -2.464 10.811 -9.664 1.00 0.00 H new ATOM 1689 N SER A 110 -2.088 9.122 -11.665 1.00 0.00 N ATOM 1690 CA SER A 110 -1.779 8.603 -12.992 1.00 0.00 C ATOM 1691 C SER A 110 -0.992 7.301 -12.891 1.00 0.00 C ATOM 1692 O SER A 110 0.026 7.126 -13.562 1.00 0.00 O ATOM 1693 CB SER A 110 -0.980 9.633 -13.790 1.00 0.00 C ATOM 1694 OG SER A 110 -1.600 10.906 -13.747 1.00 0.00 O ATOM 0 H SER A 110 -1.403 8.881 -10.949 1.00 0.00 H new ATOM 0 HA SER A 110 -2.718 8.403 -13.508 1.00 0.00 H new ATOM 0 HB2 SER A 110 0.031 9.704 -13.388 1.00 0.00 H new ATOM 0 HB3 SER A 110 -0.889 9.304 -14.825 1.00 0.00 H new ATOM 0 HG SER A 110 -1.068 11.547 -14.264 1.00 0.00 H new ATOM 1700 N GLY A 111 -1.463 6.396 -12.041 1.00 0.00 N ATOM 1701 CA GLY A 111 -0.785 5.129 -11.861 1.00 0.00 C ATOM 1702 C GLY A 111 0.231 5.191 -10.740 1.00 0.00 C ATOM 1703 O GLY A 111 0.778 4.168 -10.330 1.00 0.00 O ATOM 0 H GLY A 111 -2.302 6.518 -11.474 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -1.518 4.352 -11.645 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -0.286 4.848 -12.789 1.00 0.00 H new ATOM 1707 N ARG A 112 0.479 6.400 -10.243 1.00 0.00 N ATOM 1708 CA ARG A 112 1.432 6.603 -9.162 1.00 0.00 C ATOM 1709 C ARG A 112 0.717 7.042 -7.885 1.00 0.00 C ATOM 1710 O ARG A 112 -0.463 6.751 -7.696 1.00 0.00 O ATOM 1711 CB ARG A 112 2.478 7.643 -9.564 1.00 0.00 C ATOM 1712 CG ARG A 112 1.880 8.924 -10.116 1.00 0.00 C ATOM 1713 CD ARG A 112 2.636 9.403 -11.342 1.00 0.00 C ATOM 1714 NE ARG A 112 2.449 8.512 -12.485 1.00 0.00 N ATOM 1715 CZ ARG A 112 2.780 8.831 -13.731 1.00 0.00 C ATOM 1716 NH1 ARG A 112 3.311 10.018 -13.999 1.00 0.00 N ATOM 1717 NH2 ARG A 112 2.580 7.964 -14.715 1.00 0.00 N ATOM 0 H ARG A 112 0.031 7.254 -10.574 1.00 0.00 H new ATOM 0 HA ARG A 112 1.934 5.655 -8.967 1.00 0.00 H new ATOM 0 HB2 ARG A 112 3.092 7.883 -8.696 1.00 0.00 H new ATOM 0 HB3 ARG A 112 3.141 7.209 -10.313 1.00 0.00 H new ATOM 0 HG2 ARG A 112 0.834 8.758 -10.373 1.00 0.00 H new ATOM 0 HG3 ARG A 112 1.901 9.698 -9.348 1.00 0.00 H new ATOM 0 HD2 ARG A 112 2.300 10.406 -11.606 1.00 0.00 H new ATOM 0 HD3 ARG A 112 3.698 9.474 -11.108 1.00 0.00 H new ATOM 0 HE ARG A 112 2.041 7.593 -12.316 1.00 0.00 H new ATOM 0 HH11 ARG A 112 3.466 10.689 -13.247 1.00 0.00 H new ATOM 0 HH12 ARG A 112 3.564 10.259 -14.957 1.00 0.00 H new ATOM 0 HH21 ARG A 112 2.171 7.051 -14.515 1.00 0.00 H new ATOM 0 HH22 ARG A 112 2.835 8.210 -15.671 1.00 0.00 H new ATOM 1731 N TRP A 113 1.439 7.740 -7.014 1.00 0.00 N ATOM 1732 CA TRP A 113 0.879 8.215 -5.756 1.00 0.00 C ATOM 1733 C TRP A 113 0.689 9.711 -5.744 1.00 0.00 C ATOM 1734 O TRP A 113 1.333 10.447 -6.483 1.00 0.00 O ATOM 1735 CB TRP A 113 1.781 7.932 -4.560 1.00 0.00 C ATOM 1736 CG TRP A 113 2.400 6.584 -4.488 1.00 0.00 C ATOM 1737 CD1 TRP A 113 2.069 5.466 -5.186 1.00 0.00 C ATOM 1738 CD2 TRP A 113 3.483 6.228 -3.632 1.00 0.00 C ATOM 1739 NE1 TRP A 113 2.888 4.428 -4.815 1.00 0.00 N ATOM 1740 CE2 TRP A 113 3.765 4.872 -3.855 1.00 0.00 C ATOM 1741 CE3 TRP A 113 4.242 6.939 -2.695 1.00 0.00 C ATOM 1742 CZ2 TRP A 113 4.778 4.204 -3.170 1.00 0.00 C ATOM 1743 CZ3 TRP A 113 5.247 6.276 -2.017 1.00 0.00 C ATOM 1744 CH2 TRP A 113 5.506 4.919 -2.256 1.00 0.00 C ATOM 0 H TRP A 113 2.417 7.989 -7.159 1.00 0.00 H new ATOM 0 HA TRP A 113 -0.068 7.680 -5.677 1.00 0.00 H new ATOM 0 HB2 TRP A 113 2.581 8.673 -4.556 1.00 0.00 H new ATOM 0 HB3 TRP A 113 1.198 8.086 -3.652 1.00 0.00 H new ATOM 0 HD1 TRP A 113 1.281 5.403 -5.922 1.00 0.00 H new ATOM 0 HE1 TRP A 113 2.851 3.481 -5.191 1.00 0.00 H new ATOM 0 HE3 TRP A 113 4.046 7.984 -2.506 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 4.982 3.159 -3.353 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 5.842 6.811 -1.292 1.00 0.00 H new ATOM 0 HH2 TRP A 113 6.296 4.427 -1.708 1.00 0.00 H new ATOM 1755 N ASN A 114 -0.133 10.140 -4.811 1.00 0.00 N ATOM 1756 CA ASN A 114 -0.354 11.541 -4.567 1.00 0.00 C ATOM 1757 C ASN A 114 -0.282 11.745 -3.061 1.00 0.00 C ATOM 1758 O ASN A 114 -1.049 11.144 -2.309 1.00 0.00 O ATOM 1759 CB ASN A 114 -1.716 11.983 -5.106 1.00 0.00 C ATOM 1760 CG ASN A 114 -1.807 11.867 -6.615 1.00 0.00 C ATOM 1761 OD1 ASN A 114 -1.982 10.776 -7.156 1.00 0.00 O ATOM 1762 ND2 ASN A 114 -1.685 12.997 -7.304 1.00 0.00 N ATOM 0 H ASN A 114 -0.667 9.521 -4.200 1.00 0.00 H new ATOM 0 HA ASN A 114 0.398 12.142 -5.078 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -2.498 11.376 -4.650 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -1.902 13.016 -4.812 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -1.735 12.981 -8.323 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -1.541 13.880 -6.814 1.00 0.00 H new ATOM 1769 N ASP A 115 0.653 12.571 -2.623 1.00 0.00 N ATOM 1770 CA ASP A 115 0.836 12.824 -1.204 1.00 0.00 C ATOM 1771 C ASP A 115 -0.065 13.963 -0.738 1.00 0.00 C ATOM 1772 O ASP A 115 0.205 15.133 -1.012 1.00 0.00 O ATOM 1773 CB ASP A 115 2.306 13.145 -0.922 1.00 0.00 C ATOM 1774 CG ASP A 115 2.696 12.868 0.518 1.00 0.00 C ATOM 1775 OD1 ASP A 115 1.812 12.946 1.397 1.00 0.00 O ATOM 1776 OD2 ASP A 115 3.883 12.573 0.765 1.00 0.00 O ATOM 0 H ASP A 115 1.297 13.078 -3.230 1.00 0.00 H new ATOM 0 HA ASP A 115 0.557 11.929 -0.647 1.00 0.00 H new ATOM 0 HB2 ASP A 115 2.937 12.554 -1.586 1.00 0.00 H new ATOM 0 HB3 ASP A 115 2.496 14.194 -1.151 1.00 0.00 H new ATOM 1781 N ALA A 116 -1.144 13.611 -0.041 1.00 0.00 N ATOM 1782 CA ALA A 116 -2.089 14.600 0.450 1.00 0.00 C ATOM 1783 C ALA A 116 -2.880 14.064 1.635 1.00 0.00 C ATOM 1784 O ALA A 116 -2.949 12.856 1.852 1.00 0.00 O ATOM 1785 CB ALA A 116 -3.030 15.022 -0.667 1.00 0.00 C ATOM 0 H ALA A 116 -1.381 12.647 0.194 1.00 0.00 H new ATOM 0 HA ALA A 116 -1.526 15.470 0.789 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -3.734 15.763 -0.289 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -2.453 15.454 -1.485 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -3.578 14.152 -1.029 1.00 0.00 H new ATOM 1791 N PHE A 117 -3.482 14.972 2.396 1.00 0.00 N ATOM 1792 CA PHE A 117 -4.280 14.595 3.559 1.00 0.00 C ATOM 1793 C PHE A 117 -5.267 13.488 3.199 1.00 0.00 C ATOM 1794 O PHE A 117 -5.570 13.274 2.026 1.00 0.00 O ATOM 1795 CB PHE A 117 -5.035 15.809 4.101 1.00 0.00 C ATOM 1796 CG PHE A 117 -4.942 15.959 5.593 1.00 0.00 C ATOM 1797 CD1 PHE A 117 -5.660 15.120 6.432 1.00 0.00 C ATOM 1798 CD2 PHE A 117 -4.140 16.938 6.157 1.00 0.00 C ATOM 1799 CE1 PHE A 117 -5.578 15.256 7.805 1.00 0.00 C ATOM 1800 CE2 PHE A 117 -4.056 17.078 7.529 1.00 0.00 C ATOM 1801 CZ PHE A 117 -4.774 16.236 8.355 1.00 0.00 C ATOM 0 H PHE A 117 -3.433 15.977 2.228 1.00 0.00 H new ATOM 0 HA PHE A 117 -3.605 14.223 4.330 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -4.644 16.710 3.629 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -6.084 15.730 3.817 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -6.290 14.352 6.008 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -3.574 17.599 5.517 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -6.142 14.596 8.448 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -3.428 17.846 7.956 1.00 0.00 H new ATOM 0 HZ PHE A 117 -4.707 16.343 9.428 1.00 0.00 H new ATOM 1811 N CYS A 118 -5.764 12.786 4.213 1.00 0.00 N ATOM 1812 CA CYS A 118 -6.714 11.701 3.991 1.00 0.00 C ATOM 1813 C CYS A 118 -8.092 12.244 3.624 1.00 0.00 C ATOM 1814 O CYS A 118 -9.031 12.175 4.418 1.00 0.00 O ATOM 1815 CB CYS A 118 -6.810 10.813 5.234 1.00 0.00 C ATOM 1816 SG CYS A 118 -5.609 9.443 5.256 1.00 0.00 S ATOM 0 H CYS A 118 -5.526 12.948 5.192 1.00 0.00 H new ATOM 0 HA CYS A 118 -6.351 11.102 3.156 1.00 0.00 H new ATOM 0 HB2 CYS A 118 -6.661 11.429 6.121 1.00 0.00 H new ATOM 0 HB3 CYS A 118 -7.817 10.401 5.298 1.00 0.00 H new ATOM 1821 N ASP A 119 -8.203 12.778 2.412 1.00 0.00 N ATOM 1822 CA ASP A 119 -9.462 13.328 1.926 1.00 0.00 C ATOM 1823 C ASP A 119 -10.012 12.472 0.791 1.00 0.00 C ATOM 1824 O ASP A 119 -11.225 12.343 0.628 1.00 0.00 O ATOM 1825 CB ASP A 119 -9.266 14.768 1.450 1.00 0.00 C ATOM 1826 CG ASP A 119 -8.211 14.880 0.366 1.00 0.00 C ATOM 1827 OD1 ASP A 119 -8.535 14.602 -0.808 1.00 0.00 O ATOM 1828 OD2 ASP A 119 -7.062 15.244 0.692 1.00 0.00 O ATOM 0 H ASP A 119 -7.433 12.841 1.747 1.00 0.00 H new ATOM 0 HA ASP A 119 -10.179 13.325 2.747 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -10.213 15.155 1.073 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -8.981 15.392 2.297 1.00 0.00 H new ATOM 1833 N ARG A 120 -9.106 11.883 0.017 1.00 0.00 N ATOM 1834 CA ARG A 120 -9.493 11.030 -1.100 1.00 0.00 C ATOM 1835 C ARG A 120 -9.964 9.671 -0.595 1.00 0.00 C ATOM 1836 O ARG A 120 -9.495 9.185 0.435 1.00 0.00 O ATOM 1837 CB ARG A 120 -8.318 10.852 -2.064 1.00 0.00 C ATOM 1838 CG ARG A 120 -8.739 10.707 -3.518 1.00 0.00 C ATOM 1839 CD ARG A 120 -8.389 11.947 -4.325 1.00 0.00 C ATOM 1840 NE ARG A 120 -7.604 11.623 -5.512 1.00 0.00 N ATOM 1841 CZ ARG A 120 -6.905 12.519 -6.203 1.00 0.00 C ATOM 1842 NH1 ARG A 120 -6.892 13.790 -5.824 1.00 0.00 N ATOM 1843 NH2 ARG A 120 -6.217 12.144 -7.272 1.00 0.00 N ATOM 0 H ARG A 120 -8.099 11.981 0.143 1.00 0.00 H new ATOM 0 HA ARG A 120 -10.315 11.510 -1.631 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -7.650 11.709 -1.972 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -7.748 9.971 -1.770 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -8.249 9.837 -3.955 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -9.813 10.528 -3.571 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -9.306 12.456 -4.624 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -7.829 12.641 -3.698 1.00 0.00 H new ATOM 0 HE ARG A 120 -7.591 10.654 -5.830 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -7.419 14.082 -5.001 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -6.355 14.475 -6.356 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -6.223 11.167 -7.566 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -5.681 12.832 -7.801 1.00 0.00 H new ATOM 1857 N LYS A 121 -10.894 9.064 -1.321 1.00 0.00 N ATOM 1858 CA LYS A 121 -11.428 7.762 -0.941 1.00 0.00 C ATOM 1859 C LYS A 121 -11.055 6.697 -1.964 1.00 0.00 C ATOM 1860 O LYS A 121 -11.575 6.685 -3.079 1.00 0.00 O ATOM 1861 CB LYS A 121 -12.949 7.836 -0.797 1.00 0.00 C ATOM 1862 CG LYS A 121 -13.484 7.090 0.414 1.00 0.00 C ATOM 1863 CD LYS A 121 -14.361 7.983 1.275 1.00 0.00 C ATOM 1864 CE LYS A 121 -14.045 7.816 2.752 1.00 0.00 C ATOM 1865 NZ LYS A 121 -14.158 9.102 3.494 1.00 0.00 N ATOM 0 H LYS A 121 -11.294 9.452 -2.175 1.00 0.00 H new ATOM 0 HA LYS A 121 -10.990 7.485 0.018 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -13.248 8.882 -0.730 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -13.411 7.429 -1.697 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -14.057 6.223 0.085 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -12.651 6.714 1.008 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -14.217 9.024 0.986 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -15.410 7.745 1.097 1.00 0.00 H new ATOM 0 HE2 LYS A 121 -14.725 7.085 3.188 1.00 0.00 H new ATOM 0 HE3 LYS A 121 -13.036 7.420 2.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 -13.935 8.945 4.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -13.491 9.793 3.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -15.128 9.468 3.409 1.00 0.00 H new ATOM 1879 N LEU A 122 -10.153 5.799 -1.577 1.00 0.00 N ATOM 1880 CA LEU A 122 -9.717 4.727 -2.464 1.00 0.00 C ATOM 1881 C LEU A 122 -10.672 3.544 -2.382 1.00 0.00 C ATOM 1882 O LEU A 122 -11.794 3.676 -1.892 1.00 0.00 O ATOM 1883 CB LEU A 122 -8.298 4.285 -2.107 1.00 0.00 C ATOM 1884 CG LEU A 122 -7.218 5.333 -2.366 1.00 0.00 C ATOM 1885 CD1 LEU A 122 -7.054 6.239 -1.159 1.00 0.00 C ATOM 1886 CD2 LEU A 122 -5.897 4.665 -2.712 1.00 0.00 C ATOM 0 H LEU A 122 -9.711 5.793 -0.658 1.00 0.00 H new ATOM 0 HA LEU A 122 -9.719 5.105 -3.486 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -8.272 4.010 -1.053 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -8.058 3.387 -2.677 1.00 0.00 H new ATOM 0 HG LEU A 122 -7.529 5.942 -3.215 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -6.280 6.979 -1.362 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -7.997 6.746 -0.954 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -6.767 5.643 -0.293 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -5.140 5.428 -2.893 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -5.582 4.031 -1.883 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -6.021 4.057 -3.608 1.00 0.00 H new ATOM 1898 N GLY A 123 -10.229 2.389 -2.864 1.00 0.00 N ATOM 1899 CA GLY A 123 -11.073 1.213 -2.831 1.00 0.00 C ATOM 1900 C GLY A 123 -10.293 -0.084 -2.922 1.00 0.00 C ATOM 1901 O GLY A 123 -10.805 -1.080 -3.433 1.00 0.00 O ATOM 0 H GLY A 123 -9.306 2.247 -3.274 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -11.654 1.216 -1.909 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -11.784 1.261 -3.656 1.00 0.00 H new ATOM 1905 N ALA A 124 -9.060 -0.086 -2.422 1.00 0.00 N ATOM 1906 CA ALA A 124 -8.242 -1.294 -2.460 1.00 0.00 C ATOM 1907 C ALA A 124 -7.388 -1.442 -1.211 1.00 0.00 C ATOM 1908 O ALA A 124 -6.686 -0.516 -0.807 1.00 0.00 O ATOM 1909 CB ALA A 124 -7.369 -1.317 -3.701 1.00 0.00 C ATOM 0 H ALA A 124 -8.611 0.723 -1.992 1.00 0.00 H new ATOM 0 HA ALA A 124 -8.926 -2.142 -2.495 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -6.769 -2.227 -3.707 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -7.999 -1.293 -4.590 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -6.711 -0.448 -3.699 1.00 0.00 H new ATOM 1915 N TRP A 125 -7.450 -2.626 -0.615 1.00 0.00 N ATOM 1916 CA TRP A 125 -6.682 -2.924 0.586 1.00 0.00 C ATOM 1917 C TRP A 125 -5.442 -3.733 0.233 1.00 0.00 C ATOM 1918 O TRP A 125 -5.522 -4.940 0.009 1.00 0.00 O ATOM 1919 CB TRP A 125 -7.539 -3.703 1.589 1.00 0.00 C ATOM 1920 CG TRP A 125 -8.685 -2.915 2.152 1.00 0.00 C ATOM 1921 CD1 TRP A 125 -9.205 -1.751 1.662 1.00 0.00 C ATOM 1922 CD2 TRP A 125 -9.456 -3.238 3.316 1.00 0.00 C ATOM 1923 NE1 TRP A 125 -10.249 -1.332 2.449 1.00 0.00 N ATOM 1924 CE2 TRP A 125 -10.423 -2.228 3.471 1.00 0.00 C ATOM 1925 CE3 TRP A 125 -9.421 -4.286 4.241 1.00 0.00 C ATOM 1926 CZ2 TRP A 125 -11.346 -2.235 4.513 1.00 0.00 C ATOM 1927 CZ3 TRP A 125 -10.338 -4.291 5.275 1.00 0.00 C ATOM 1928 CH2 TRP A 125 -11.290 -3.271 5.404 1.00 0.00 C ATOM 0 H TRP A 125 -8.027 -3.399 -0.946 1.00 0.00 H new ATOM 0 HA TRP A 125 -6.375 -1.982 1.039 1.00 0.00 H new ATOM 0 HB2 TRP A 125 -7.930 -4.596 1.101 1.00 0.00 H new ATOM 0 HB3 TRP A 125 -6.905 -4.040 2.409 1.00 0.00 H new ATOM 0 HD1 TRP A 125 -8.847 -1.235 0.783 1.00 0.00 H new ATOM 0 HE1 TRP A 125 -10.805 -0.490 2.298 1.00 0.00 H new ATOM 0 HE3 TRP A 125 -8.691 -5.077 4.149 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 -12.081 -1.450 4.614 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 -10.321 -5.095 5.996 1.00 0.00 H new ATOM 0 HH2 TRP A 125 -11.993 -3.304 6.223 1.00 0.00 H new ATOM 1939 N VAL A 126 -4.295 -3.065 0.184 1.00 0.00 N ATOM 1940 CA VAL A 126 -3.049 -3.730 -0.145 1.00 0.00 C ATOM 1941 C VAL A 126 -2.118 -3.750 1.069 1.00 0.00 C ATOM 1942 O VAL A 126 -1.900 -2.728 1.722 1.00 0.00 O ATOM 1943 CB VAL A 126 -2.361 -3.051 -1.348 1.00 0.00 C ATOM 1944 CG1 VAL A 126 -0.884 -3.338 -1.361 1.00 0.00 C ATOM 1945 CG2 VAL A 126 -2.978 -3.516 -2.651 1.00 0.00 C ATOM 0 H VAL A 126 -4.207 -2.066 0.368 1.00 0.00 H new ATOM 0 HA VAL A 126 -3.276 -4.759 -0.425 1.00 0.00 H new ATOM 0 HB VAL A 126 -2.508 -1.976 -1.246 1.00 0.00 H new ATOM 0 HG11 VAL A 126 -0.425 -2.847 -2.219 1.00 0.00 H new ATOM 0 HG12 VAL A 126 -0.432 -2.961 -0.443 1.00 0.00 H new ATOM 0 HG13 VAL A 126 -0.723 -4.414 -1.430 1.00 0.00 H new ATOM 0 HG21 VAL A 126 -2.478 -3.025 -3.486 1.00 0.00 H new ATOM 0 HG22 VAL A 126 -2.863 -4.596 -2.743 1.00 0.00 H new ATOM 0 HG23 VAL A 126 -4.038 -3.262 -2.663 1.00 0.00 H new ATOM 1955 N CYS A 127 -1.601 -4.933 1.370 1.00 0.00 N ATOM 1956 CA CYS A 127 -0.717 -5.148 2.514 1.00 0.00 C ATOM 1957 C CYS A 127 0.438 -6.057 2.124 1.00 0.00 C ATOM 1958 O CYS A 127 0.406 -6.680 1.071 1.00 0.00 O ATOM 1959 CB CYS A 127 -1.487 -5.765 3.682 1.00 0.00 C ATOM 1960 SG CYS A 127 -3.142 -5.052 3.944 1.00 0.00 S ATOM 0 H CYS A 127 -1.782 -5.777 0.826 1.00 0.00 H new ATOM 0 HA CYS A 127 -0.322 -4.181 2.826 1.00 0.00 H new ATOM 0 HB2 CYS A 127 -1.588 -6.837 3.510 1.00 0.00 H new ATOM 0 HB3 CYS A 127 -0.902 -5.642 4.594 1.00 0.00 H new ATOM 1965 N ASP A 128 1.461 -6.128 2.964 1.00 0.00 N ATOM 1966 CA ASP A 128 2.602 -6.973 2.680 1.00 0.00 C ATOM 1967 C ASP A 128 2.868 -7.917 3.844 1.00 0.00 C ATOM 1968 O ASP A 128 2.709 -7.553 5.007 1.00 0.00 O ATOM 1969 CB ASP A 128 3.839 -6.123 2.408 1.00 0.00 C ATOM 1970 CG ASP A 128 4.361 -5.442 3.658 1.00 0.00 C ATOM 1971 OD1 ASP A 128 3.809 -4.387 4.033 1.00 0.00 O ATOM 1972 OD2 ASP A 128 5.321 -5.964 4.262 1.00 0.00 O ATOM 0 H ASP A 128 1.520 -5.612 3.842 1.00 0.00 H new ATOM 0 HA ASP A 128 2.378 -7.564 1.792 1.00 0.00 H new ATOM 0 HB2 ASP A 128 4.623 -6.752 1.987 1.00 0.00 H new ATOM 0 HB3 ASP A 128 3.600 -5.368 1.659 1.00 0.00 H new ATOM 1977 N ARG A 129 3.275 -9.130 3.512 1.00 0.00 N ATOM 1978 CA ARG A 129 3.572 -10.147 4.509 1.00 0.00 C ATOM 1979 C ARG A 129 4.501 -11.197 3.922 1.00 0.00 C ATOM 1980 O ARG A 129 4.544 -11.380 2.708 1.00 0.00 O ATOM 1981 CB ARG A 129 2.281 -10.803 5.004 1.00 0.00 C ATOM 1982 CG ARG A 129 2.432 -11.509 6.342 1.00 0.00 C ATOM 1983 CD ARG A 129 2.048 -12.977 6.244 1.00 0.00 C ATOM 1984 NE ARG A 129 1.965 -13.609 7.557 1.00 0.00 N ATOM 1985 CZ ARG A 129 0.832 -14.058 8.089 1.00 0.00 C ATOM 1986 NH1 ARG A 129 -0.310 -13.943 7.423 1.00 0.00 N ATOM 1987 NH2 ARG A 129 0.839 -14.622 9.289 1.00 0.00 N ATOM 0 H ARG A 129 3.409 -9.438 2.549 1.00 0.00 H new ATOM 0 HA ARG A 129 4.066 -9.671 5.356 1.00 0.00 H new ATOM 0 HB2 ARG A 129 1.506 -10.041 5.090 1.00 0.00 H new ATOM 0 HB3 ARG A 129 1.940 -11.522 4.259 1.00 0.00 H new ATOM 0 HG2 ARG A 129 3.463 -11.424 6.685 1.00 0.00 H new ATOM 0 HG3 ARG A 129 1.806 -11.017 7.087 1.00 0.00 H new ATOM 0 HD2 ARG A 129 1.087 -13.067 5.737 1.00 0.00 H new ATOM 0 HD3 ARG A 129 2.782 -13.504 5.634 1.00 0.00 H new ATOM 0 HE ARG A 129 2.824 -13.712 8.097 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -0.321 -13.509 6.500 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -1.177 -14.289 7.834 1.00 0.00 H new ATOM 0 HH21 ARG A 129 1.714 -14.712 9.805 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -0.031 -14.966 9.696 1.00 0.00 H new ATOM 2001 N LEU A 130 5.231 -11.893 4.778 1.00 0.00 N ATOM 2002 CA LEU A 130 6.142 -12.928 4.314 1.00 0.00 C ATOM 2003 C LEU A 130 5.364 -14.117 3.760 1.00 0.00 C ATOM 2004 O LEU A 130 4.406 -14.585 4.377 1.00 0.00 O ATOM 2005 CB LEU A 130 7.069 -13.368 5.449 1.00 0.00 C ATOM 2006 CG LEU A 130 8.324 -12.505 5.647 1.00 0.00 C ATOM 2007 CD1 LEU A 130 9.553 -13.227 5.118 1.00 0.00 C ATOM 2008 CD2 LEU A 130 8.172 -11.145 4.969 1.00 0.00 C ATOM 0 H LEU A 130 5.212 -11.763 5.789 1.00 0.00 H new ATOM 0 HA LEU A 130 6.753 -12.518 3.510 1.00 0.00 H new ATOM 0 HB2 LEU A 130 6.501 -13.371 6.379 1.00 0.00 H new ATOM 0 HB3 LEU A 130 7.381 -14.396 5.263 1.00 0.00 H new ATOM 0 HG LEU A 130 8.450 -12.335 6.716 1.00 0.00 H new ATOM 0 HD11 LEU A 130 10.434 -12.602 5.266 1.00 0.00 H new ATOM 0 HD12 LEU A 130 9.681 -14.167 5.654 1.00 0.00 H new ATOM 0 HD13 LEU A 130 9.426 -13.430 4.055 1.00 0.00 H new ATOM 0 HD21 LEU A 130 9.076 -10.557 5.127 1.00 0.00 H new ATOM 0 HD22 LEU A 130 8.013 -11.287 3.900 1.00 0.00 H new ATOM 0 HD23 LEU A 130 7.318 -10.619 5.396 1.00 0.00 H new ATOM 2020 N ALA A 131 5.774 -14.589 2.585 1.00 0.00 N ATOM 2021 CA ALA A 131 5.110 -15.713 1.930 1.00 0.00 C ATOM 2022 C ALA A 131 5.106 -16.957 2.812 1.00 0.00 C ATOM 2023 O ALA A 131 5.997 -17.801 2.716 1.00 0.00 O ATOM 2024 CB ALA A 131 5.778 -16.013 0.598 1.00 0.00 C ATOM 0 H ALA A 131 6.565 -14.209 2.066 1.00 0.00 H new ATOM 0 HA ALA A 131 4.072 -15.429 1.755 1.00 0.00 H new ATOM 0 HB1 ALA A 131 5.274 -16.853 0.119 1.00 0.00 H new ATOM 0 HB2 ALA A 131 5.714 -15.136 -0.047 1.00 0.00 H new ATOM 0 HB3 ALA A 131 6.825 -16.265 0.765 1.00 0.00 H new ATOM 2030 N THR A 132 4.093 -17.068 3.665 1.00 0.00 N ATOM 2031 CA THR A 132 3.966 -18.208 4.558 1.00 0.00 C ATOM 2032 C THR A 132 2.552 -18.779 4.513 1.00 0.00 C ATOM 2033 O THR A 132 1.605 -18.154 4.992 1.00 0.00 O ATOM 2034 CB THR A 132 4.326 -17.807 5.988 1.00 0.00 C ATOM 2035 OG1 THR A 132 3.456 -16.795 6.460 1.00 0.00 O ATOM 2036 CG2 THR A 132 5.744 -17.296 6.128 1.00 0.00 C ATOM 0 H THR A 132 3.347 -16.378 3.755 1.00 0.00 H new ATOM 0 HA THR A 132 4.659 -18.980 4.223 1.00 0.00 H new ATOM 0 HB THR A 132 4.226 -18.719 6.577 1.00 0.00 H new ATOM 0 HG1 THR A 132 2.549 -16.963 6.130 1.00 0.00 H new ATOM 0 HG21 THR A 132 5.934 -17.029 7.168 1.00 0.00 H new ATOM 0 HG22 THR A 132 6.443 -18.073 5.820 1.00 0.00 H new ATOM 0 HG23 THR A 132 5.878 -16.417 5.498 1.00 0.00 H new ATOM 2044 N CYS A 133 2.415 -19.969 3.934 1.00 0.00 N ATOM 2045 CA CYS A 133 1.115 -20.621 3.829 1.00 0.00 C ATOM 2046 C CYS A 133 0.773 -21.365 5.115 1.00 0.00 C ATOM 2047 O CYS A 133 -0.329 -21.896 5.263 1.00 0.00 O ATOM 2048 CB CYS A 133 1.099 -21.591 2.647 1.00 0.00 C ATOM 2049 SG CYS A 133 2.117 -21.059 1.234 1.00 0.00 S ATOM 0 H CYS A 133 3.187 -20.500 3.531 1.00 0.00 H new ATOM 0 HA CYS A 133 0.364 -19.848 3.666 1.00 0.00 H new ATOM 0 HB2 CYS A 133 1.449 -22.566 2.986 1.00 0.00 H new ATOM 0 HB3 CYS A 133 0.070 -21.721 2.311 1.00 0.00 H new ATOM 2054 N THR A 134 1.724 -21.402 6.044 1.00 0.00 N ATOM 2055 CA THR A 134 1.523 -22.082 7.318 1.00 0.00 C ATOM 2056 C THR A 134 1.843 -21.153 8.488 1.00 0.00 C ATOM 2057 O THR A 134 2.860 -21.318 9.163 1.00 0.00 O ATOM 2058 CB THR A 134 2.393 -23.337 7.393 1.00 0.00 C ATOM 2059 OG1 THR A 134 3.622 -23.135 6.719 1.00 0.00 O ATOM 2060 CG2 THR A 134 1.734 -24.559 6.790 1.00 0.00 C ATOM 0 H THR A 134 2.641 -20.969 5.938 1.00 0.00 H new ATOM 0 HA THR A 134 0.474 -22.372 7.385 1.00 0.00 H new ATOM 0 HB THR A 134 2.550 -23.517 8.456 1.00 0.00 H new ATOM 0 HG1 THR A 134 4.166 -23.948 6.779 1.00 0.00 H new ATOM 0 HG21 THR A 134 2.405 -25.414 6.876 1.00 0.00 H new ATOM 0 HG22 THR A 134 0.806 -24.771 7.321 1.00 0.00 H new ATOM 0 HG23 THR A 134 1.516 -24.373 5.738 1.00 0.00 H new ATOM 2068 N PRO A 135 0.975 -20.158 8.745 1.00 0.00 N ATOM 2069 CA PRO A 135 1.170 -19.202 9.838 1.00 0.00 C ATOM 2070 C PRO A 135 0.894 -19.822 11.206 1.00 0.00 C ATOM 2071 O PRO A 135 0.133 -20.782 11.318 1.00 0.00 O ATOM 2072 CB PRO A 135 0.150 -18.106 9.532 1.00 0.00 C ATOM 2073 CG PRO A 135 -0.936 -18.802 8.788 1.00 0.00 C ATOM 2074 CD PRO A 135 -0.265 -19.888 7.990 1.00 0.00 C ATOM 0 HA PRO A 135 2.198 -18.844 9.891 1.00 0.00 H new ATOM 0 HB2 PRO A 135 -0.226 -17.648 10.447 1.00 0.00 H new ATOM 0 HB3 PRO A 135 0.592 -17.309 8.935 1.00 0.00 H new ATOM 0 HG2 PRO A 135 -1.672 -19.221 9.474 1.00 0.00 H new ATOM 0 HG3 PRO A 135 -1.467 -18.109 8.135 1.00 0.00 H new ATOM 0 HD2 PRO A 135 -0.891 -20.777 7.917 1.00 0.00 H new ATOM 0 HD3 PRO A 135 -0.052 -19.564 6.971 1.00 0.00 H new ATOM 2082 N PRO A 136 1.513 -19.278 12.270 1.00 0.00 N ATOM 2083 CA PRO A 136 1.327 -19.783 13.634 1.00 0.00 C ATOM 2084 C PRO A 136 -0.077 -19.512 14.165 1.00 0.00 C ATOM 2085 O PRO A 136 -0.318 -18.497 14.819 1.00 0.00 O ATOM 2086 CB PRO A 136 2.368 -19.009 14.447 1.00 0.00 C ATOM 2087 CG PRO A 136 2.599 -17.757 13.675 1.00 0.00 C ATOM 2088 CD PRO A 136 2.437 -18.128 12.227 1.00 0.00 C ATOM 0 HA PRO A 136 1.447 -20.865 13.688 1.00 0.00 H new ATOM 0 HB2 PRO A 136 2.005 -18.793 15.452 1.00 0.00 H new ATOM 0 HB3 PRO A 136 3.289 -19.581 14.557 1.00 0.00 H new ATOM 0 HG2 PRO A 136 1.886 -16.984 13.962 1.00 0.00 H new ATOM 0 HG3 PRO A 136 3.595 -17.358 13.867 1.00 0.00 H new ATOM 0 HD2 PRO A 136 2.026 -17.304 11.645 1.00 0.00 H new ATOM 0 HD3 PRO A 136 3.391 -18.395 11.772 1.00 0.00 H new ATOM 2096 N ALA A 137 -0.998 -20.426 13.879 1.00 0.00 N ATOM 2097 CA ALA A 137 -2.379 -20.286 14.327 1.00 0.00 C ATOM 2098 C ALA A 137 -2.587 -20.950 15.683 1.00 0.00 C ATOM 2099 O ALA A 137 -3.598 -20.724 16.347 1.00 0.00 O ATOM 2100 CB ALA A 137 -3.329 -20.877 13.297 1.00 0.00 C ATOM 0 H ALA A 137 -0.813 -21.272 13.339 1.00 0.00 H new ATOM 0 HA ALA A 137 -2.593 -19.223 14.436 1.00 0.00 H new ATOM 0 HB1 ALA A 137 -4.356 -20.766 13.644 1.00 0.00 H new ATOM 0 HB2 ALA A 137 -3.208 -20.354 12.348 1.00 0.00 H new ATOM 0 HB3 ALA A 137 -3.105 -21.935 13.160 1.00 0.00 H new ATOM 2106 N SER A 138 -1.622 -21.770 16.090 1.00 0.00 N ATOM 2107 CA SER A 138 -1.699 -22.467 17.368 1.00 0.00 C ATOM 2108 C SER A 138 -1.516 -21.497 18.530 1.00 0.00 C ATOM 2109 O SER A 138 -0.597 -20.678 18.527 1.00 0.00 O ATOM 2110 CB SER A 138 -0.640 -23.569 17.435 1.00 0.00 C ATOM 2111 OG SER A 138 -1.090 -24.751 16.797 1.00 0.00 O ATOM 0 H SER A 138 -0.778 -21.967 15.552 1.00 0.00 H new ATOM 0 HA SER A 138 -2.688 -22.918 17.449 1.00 0.00 H new ATOM 0 HB2 SER A 138 0.279 -23.224 16.961 1.00 0.00 H new ATOM 0 HB3 SER A 138 -0.400 -23.783 18.476 1.00 0.00 H new ATOM 0 HG SER A 138 -0.394 -25.438 16.853 1.00 0.00 H new ATOM 2117 N GLU A 139 -2.396 -21.594 19.520 1.00 0.00 N ATOM 2118 CA GLU A 139 -2.333 -20.725 20.689 1.00 0.00 C ATOM 2119 C GLU A 139 -1.453 -21.336 21.775 1.00 0.00 C ATOM 2120 O GLU A 139 -1.334 -20.790 22.872 1.00 0.00 O ATOM 2121 CB GLU A 139 -3.737 -20.470 21.239 1.00 0.00 C ATOM 2122 CG GLU A 139 -3.894 -19.111 21.902 1.00 0.00 C ATOM 2123 CD GLU A 139 -5.186 -18.991 22.686 1.00 0.00 C ATOM 2124 OE1 GLU A 139 -6.216 -18.627 22.079 1.00 0.00 O ATOM 2125 OE2 GLU A 139 -5.169 -19.260 23.905 1.00 0.00 O ATOM 0 H GLU A 139 -3.163 -22.267 19.536 1.00 0.00 H new ATOM 0 HA GLU A 139 -1.894 -19.776 20.381 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -4.457 -20.553 20.425 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -3.982 -21.248 21.962 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -3.050 -18.937 22.570 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -3.862 -18.333 21.139 1.00 0.00 H new ATOM 2132 N GLY A 140 -0.837 -22.472 21.460 1.00 0.00 N ATOM 2133 CA GLY A 140 0.025 -23.139 22.419 1.00 0.00 C ATOM 2134 C GLY A 140 1.329 -22.398 22.641 1.00 0.00 C ATOM 2135 O GLY A 140 2.273 -22.545 21.864 1.00 0.00 O ATOM 0 H GLY A 140 -0.920 -22.942 20.558 1.00 0.00 H new ATOM 0 HA2 GLY A 140 -0.500 -23.236 23.369 1.00 0.00 H new ATOM 0 HA3 GLY A 140 0.240 -24.149 22.069 1.00 0.00 H new ATOM 2139 N SER A 141 1.380 -21.598 23.702 1.00 0.00 N ATOM 2140 CA SER A 141 2.578 -20.831 24.024 1.00 0.00 C ATOM 2141 C SER A 141 2.611 -20.472 25.506 1.00 0.00 C ATOM 2142 O SER A 141 1.916 -19.558 25.949 1.00 0.00 O ATOM 2143 CB SER A 141 2.635 -19.558 23.178 1.00 0.00 C ATOM 2144 OG SER A 141 3.925 -19.373 22.622 1.00 0.00 O ATOM 0 H SER A 141 0.606 -21.464 24.353 1.00 0.00 H new ATOM 0 HA SER A 141 3.447 -21.449 23.799 1.00 0.00 H new ATOM 0 HB2 SER A 141 1.896 -19.615 22.379 1.00 0.00 H new ATOM 0 HB3 SER A 141 2.374 -18.697 23.793 1.00 0.00 H new ATOM 0 HG SER A 141 3.935 -18.554 22.084 1.00 0.00 H new ATOM 2150 N ALA A 142 3.427 -21.200 26.267 1.00 0.00 N ATOM 2151 CA ALA A 142 3.556 -20.962 27.701 1.00 0.00 C ATOM 2152 C ALA A 142 2.207 -21.073 28.403 1.00 0.00 C ATOM 2153 O ALA A 142 1.236 -21.566 27.829 1.00 0.00 O ATOM 2154 CB ALA A 142 4.179 -19.597 27.956 1.00 0.00 C ATOM 0 H ALA A 142 4.008 -21.960 25.913 1.00 0.00 H new ATOM 0 HA ALA A 142 4.211 -21.730 28.113 1.00 0.00 H new ATOM 0 HB1 ALA A 142 4.269 -19.433 29.030 1.00 0.00 H new ATOM 0 HB2 ALA A 142 5.168 -19.557 27.499 1.00 0.00 H new ATOM 0 HB3 ALA A 142 3.547 -18.822 27.522 1.00 0.00 H new ATOM 2160 N GLU A 143 2.156 -20.613 29.650 1.00 0.00 N ATOM 2161 CA GLU A 143 0.925 -20.661 30.432 1.00 0.00 C ATOM 2162 C GLU A 143 -0.053 -19.585 29.974 1.00 0.00 C ATOM 2163 O GLU A 143 0.371 -18.418 29.841 1.00 0.00 O ATOM 2164 CB GLU A 143 1.236 -20.484 31.919 1.00 0.00 C ATOM 2165 CG GLU A 143 0.130 -20.984 32.836 1.00 0.00 C ATOM 2166 CD GLU A 143 0.081 -20.234 34.153 1.00 0.00 C ATOM 2167 OE1 GLU A 143 0.906 -20.536 35.040 1.00 0.00 O ATOM 2168 OE2 GLU A 143 -0.784 -19.344 34.297 1.00 0.00 O ATOM 2169 OXT GLU A 143 -1.236 -19.919 29.751 1.00 0.00 O ATOM 0 H GLU A 143 2.952 -20.203 30.140 1.00 0.00 H new ATOM 0 HA GLU A 143 0.462 -21.636 30.277 1.00 0.00 H new ATOM 0 HB2 GLU A 143 2.159 -21.014 32.154 1.00 0.00 H new ATOM 0 HB3 GLU A 143 1.415 -19.428 32.121 1.00 0.00 H new ATOM 0 HG2 GLU A 143 -0.830 -20.884 32.329 1.00 0.00 H new ATOM 0 HG3 GLU A 143 0.278 -22.046 33.032 1.00 0.00 H new TER 2176 GLU A 143