USER MOD reduce.3.24.130724 H: found=0, std=0, add=1081, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1083 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 137 HIS : no HE2:sc= -1.14 K(o=-1.7,f=-2.6) USER MOD Set 1.2: A 141 ASN : amide:sc= -0.586 K(o=-1.7,f=-3.7) USER MOD Set 2.1: A 35 HIS :FLIP no HD1:sc= -0.374 F(o=-7.5,f=-4.6) USER MOD Set 2.2: A 129 LYS NZ :NH3+ -137:sc= -4.26! (180deg=-6.72!) USER MOD Set 3.1: A 10 GLN : amide:sc= -1.2 K(o=-1.2,f=-1.8) USER MOD Set 3.2: A 21 LYS NZ :NH3+ 158:sc= 0.00211 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -0.76 K(o=-0.76,f=-1.6!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -1.19 X(o=-1.2,f=-0.83) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc=-0.000867 USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 70:sc= -2.01! USER MOD Single : A 26 ASN : amide:sc= -1.61 K(o=-1.6,f=-2.7!) USER MOD Single : A 27 GLN :FLIP amide:sc= 0 F(o=-3.6!,f=0) USER MOD Single : A 28 ASN : amide:sc= -0.013 X(o=-0.013,f=-0.0063) USER MOD Single : A 29 LYS NZ :NH3+ -151:sc= 0.081 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.504 K(o=-0.5,f=-2.6) USER MOD Single : A 34 SER OG : rot -70:sc= 0.861 USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 144:sc= 0.52 USER MOD Single : A 46 SER OG : rot 158:sc= -1.93 USER MOD Single : A 47 SER OG : rot 180:sc=-0.00531 USER MOD Single : A 48 TYR OH : rot 130:sc= -0.0381 USER MOD Single : A 50 HIS : no HD1:sc= -3.47 K(o=-3.5,f=-4.1!) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.0762 USER MOD Single : A 54 ASN : amide:sc= -0.884 K(o=-0.88,f=-5.5!) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot -58:sc= 0.0178 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 HIS : no HD1:sc= 0.524 K(o=0.52,f=-4.7!) USER MOD Single : A 83 SER OG : rot 180:sc= 0.454 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 ASN : amide:sc= -1.04 K(o=-1,f=-4.8!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot -56:sc= 0.165 USER MOD Single : A 92 HIS : no HD1:sc= -0.713 K(o=-0.71,f=-1.8) USER MOD Single : A 93 TYR OH : rot -55:sc= 0.248 USER MOD Single : A 99 THR OG1 : rot -130:sc= 0 USER MOD Single : A 104 HIS : no HD1:sc= -1.35 K(o=-1.3,f=-1.9) USER MOD Single : A 106 TYR OH : rot 55:sc= -1.64 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0484) USER MOD Single : A 114 LYS NZ :NH3+ -175:sc= -3.61! (180deg=-3.8!) USER MOD Single : A 116 ASN : amide:sc= -1.09 X(o=-1.1,f=-1.3) USER MOD Single : A 124 TYR OH : rot 180:sc= -0.144 USER MOD Single : A 125 THR OG1 : rot -170:sc= -0.362 USER MOD Single : A 126 TYR OH : rot 159:sc= 0.0297 USER MOD Single : A 128 ASN : amide:sc= 0 K(o=0,f=-1.6) USER MOD Single : A 138 THR OG1 : rot 180:sc= 0.0724 USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 GLN : amide:sc= 0 X(o=0,f=-0.078) USER MOD Single : A 146 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 149 SER OG : rot 180:sc= 0 USER MOD Single : A 150 HIS : no HD1:sc= -1.51 X(o=-1.5,f=-1.9) USER MOD ----------------------------------------------------------------- ATOM 11 N VAL A 2 3.028 -8.879 -15.892 1.00 0.00 N ATOM 12 CA VAL A 2 3.249 -9.557 -14.589 1.00 0.00 C ATOM 13 C VAL A 2 1.965 -9.468 -13.738 1.00 0.00 C ATOM 14 O VAL A 2 1.662 -8.461 -13.102 1.00 0.00 O ATOM 15 CB VAL A 2 4.466 -8.921 -13.876 1.00 0.00 C ATOM 16 CG1 VAL A 2 5.006 -9.838 -12.790 1.00 0.00 C ATOM 17 CG2 VAL A 2 5.688 -8.640 -14.759 1.00 0.00 C ATOM 0 HA VAL A 2 3.471 -10.613 -14.743 1.00 0.00 H new ATOM 0 HB VAL A 2 4.053 -7.981 -13.511 1.00 0.00 H new ATOM 0 HG11 VAL A 2 5.861 -9.365 -12.306 1.00 0.00 H new ATOM 0 HG12 VAL A 2 4.227 -10.024 -12.050 1.00 0.00 H new ATOM 0 HG13 VAL A 2 5.318 -10.783 -13.234 1.00 0.00 H new ATOM 0 HG21 VAL A 2 6.479 -8.195 -14.155 1.00 0.00 H new ATOM 0 HG22 VAL A 2 6.045 -9.574 -15.194 1.00 0.00 H new ATOM 0 HG23 VAL A 2 5.410 -7.951 -15.557 1.00 0.00 H new ATOM 27 N THR A 3 1.146 -10.504 -13.880 1.00 0.00 N ATOM 28 CA THR A 3 -0.181 -10.601 -13.233 1.00 0.00 C ATOM 29 C THR A 3 -0.071 -11.097 -11.782 1.00 0.00 C ATOM 30 O THR A 3 0.003 -12.288 -11.517 1.00 0.00 O ATOM 31 CB THR A 3 -1.108 -11.400 -14.167 1.00 0.00 C ATOM 32 OG1 THR A 3 -1.809 -10.438 -14.972 1.00 0.00 O ATOM 33 CG2 THR A 3 -2.087 -12.388 -13.534 1.00 0.00 C ATOM 0 H THR A 3 1.377 -11.316 -14.452 1.00 0.00 H new ATOM 0 HA THR A 3 -0.643 -9.622 -13.107 1.00 0.00 H new ATOM 0 HB THR A 3 -0.460 -12.068 -14.735 1.00 0.00 H new ATOM 0 HG1 THR A 3 -2.413 -10.904 -15.587 1.00 0.00 H new ATOM 0 HG21 THR A 3 -2.671 -12.874 -14.316 1.00 0.00 H new ATOM 0 HG22 THR A 3 -1.533 -13.141 -12.974 1.00 0.00 H new ATOM 0 HG23 THR A 3 -2.757 -11.855 -12.860 1.00 0.00 H new ATOM 41 N TRP A 4 0.090 -10.144 -10.876 1.00 0.00 N ATOM 42 CA TRP A 4 0.233 -10.453 -9.434 1.00 0.00 C ATOM 43 C TRP A 4 -1.137 -10.722 -8.824 1.00 0.00 C ATOM 44 O TRP A 4 -1.962 -9.814 -8.669 1.00 0.00 O ATOM 45 CB TRP A 4 0.910 -9.309 -8.686 1.00 0.00 C ATOM 46 CG TRP A 4 2.364 -9.124 -9.101 1.00 0.00 C ATOM 47 CD1 TRP A 4 2.788 -8.477 -10.182 1.00 0.00 C ATOM 48 CD2 TRP A 4 3.493 -9.547 -8.406 1.00 0.00 C ATOM 49 NE1 TRP A 4 4.119 -8.453 -10.206 1.00 0.00 N ATOM 50 CE2 TRP A 4 4.598 -9.108 -9.158 1.00 0.00 C ATOM 51 CE3 TRP A 4 3.675 -10.316 -7.238 1.00 0.00 C ATOM 52 CZ2 TRP A 4 5.908 -9.440 -8.758 1.00 0.00 C ATOM 53 CZ3 TRP A 4 4.991 -10.655 -6.842 1.00 0.00 C ATOM 54 CH2 TRP A 4 6.096 -10.225 -7.604 1.00 0.00 C ATOM 0 H TRP A 4 0.127 -9.149 -11.098 1.00 0.00 H new ATOM 0 HA TRP A 4 0.859 -11.340 -9.340 1.00 0.00 H new ATOM 0 HB2 TRP A 4 0.362 -8.384 -8.869 1.00 0.00 H new ATOM 0 HB3 TRP A 4 0.863 -9.501 -7.614 1.00 0.00 H new ATOM 0 HD1 TRP A 4 2.147 -8.036 -10.931 1.00 0.00 H new ATOM 0 HE1 TRP A 4 4.685 -7.999 -10.923 1.00 0.00 H new ATOM 0 HE3 TRP A 4 2.825 -10.641 -6.656 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 6.758 -9.097 -9.330 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 5.149 -11.246 -5.952 1.00 0.00 H new ATOM 0 HH2 TRP A 4 7.095 -10.500 -7.300 1.00 0.00 H new ATOM 65 N THR A 5 -1.405 -12.005 -8.640 1.00 0.00 N ATOM 66 CA THR A 5 -2.722 -12.443 -8.160 1.00 0.00 C ATOM 67 C THR A 5 -2.594 -12.953 -6.708 1.00 0.00 C ATOM 68 O THR A 5 -1.701 -13.730 -6.368 1.00 0.00 O ATOM 69 CB THR A 5 -3.325 -13.504 -9.089 1.00 0.00 C ATOM 70 OG1 THR A 5 -3.246 -13.016 -10.432 1.00 0.00 O ATOM 71 CG2 THR A 5 -4.807 -13.732 -8.773 1.00 0.00 C ATOM 0 H THR A 5 -0.741 -12.760 -8.811 1.00 0.00 H new ATOM 0 HA THR A 5 -3.408 -11.596 -8.169 1.00 0.00 H new ATOM 0 HB THR A 5 -2.777 -14.437 -8.955 1.00 0.00 H new ATOM 0 HG1 THR A 5 -3.625 -13.681 -11.044 1.00 0.00 H new ATOM 0 HG21 THR A 5 -5.210 -14.489 -9.446 1.00 0.00 H new ATOM 0 HG22 THR A 5 -4.911 -14.070 -7.742 1.00 0.00 H new ATOM 0 HG23 THR A 5 -5.355 -12.799 -8.906 1.00 0.00 H new ATOM 79 N CYS A 6 -3.423 -12.366 -5.864 1.00 0.00 N ATOM 80 CA CYS A 6 -3.511 -12.709 -4.436 1.00 0.00 C ATOM 81 C CYS A 6 -4.847 -13.382 -4.105 1.00 0.00 C ATOM 82 O CYS A 6 -5.843 -13.222 -4.808 1.00 0.00 O ATOM 83 CB CYS A 6 -3.318 -11.478 -3.556 1.00 0.00 C ATOM 84 SG CYS A 6 -1.683 -11.456 -2.757 1.00 0.00 S ATOM 0 H CYS A 6 -4.067 -11.626 -6.144 1.00 0.00 H new ATOM 0 HA CYS A 6 -2.706 -13.414 -4.227 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -3.438 -10.579 -4.160 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -4.095 -11.454 -2.792 1.00 0.00 H new ATOM 89 N LEU A 7 -4.817 -14.129 -3.012 1.00 0.00 N ATOM 90 CA LEU A 7 -5.978 -14.899 -2.532 1.00 0.00 C ATOM 91 C LEU A 7 -6.385 -14.453 -1.119 1.00 0.00 C ATOM 92 O LEU A 7 -5.820 -14.863 -0.109 1.00 0.00 O ATOM 93 CB LEU A 7 -5.641 -16.395 -2.583 1.00 0.00 C ATOM 94 CG LEU A 7 -5.825 -16.943 -4.001 1.00 0.00 C ATOM 95 CD1 LEU A 7 -4.938 -18.161 -4.215 1.00 0.00 C ATOM 96 CD2 LEU A 7 -7.294 -17.306 -4.259 1.00 0.00 C ATOM 0 H LEU A 7 -3.989 -14.225 -2.424 1.00 0.00 H new ATOM 0 HA LEU A 7 -6.835 -14.712 -3.179 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.613 -16.553 -2.257 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -6.282 -16.941 -1.891 1.00 0.00 H new ATOM 0 HG LEU A 7 -5.534 -16.166 -4.708 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -5.079 -18.540 -5.227 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -3.894 -17.880 -4.075 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -5.205 -18.936 -3.497 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.401 -17.693 -5.272 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.612 -18.066 -3.545 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.914 -16.417 -4.143 1.00 0.00 H new ATOM 108 N ASN A 8 -7.240 -13.429 -1.106 1.00 0.00 N ATOM 109 CA ASN A 8 -7.709 -12.820 0.157 1.00 0.00 C ATOM 110 C ASN A 8 -9.094 -13.367 0.491 1.00 0.00 C ATOM 111 O ASN A 8 -9.945 -13.552 -0.370 1.00 0.00 O ATOM 112 CB ASN A 8 -7.776 -11.295 0.047 1.00 0.00 C ATOM 113 CG ASN A 8 -6.477 -10.668 -0.507 1.00 0.00 C ATOM 114 OD1 ASN A 8 -6.485 -9.754 -1.309 1.00 0.00 O ATOM 115 ND2 ASN A 8 -5.330 -11.224 -0.154 1.00 0.00 N ATOM 0 H ASN A 8 -7.625 -13.000 -1.947 1.00 0.00 H new ATOM 0 HA ASN A 8 -7.001 -13.072 0.947 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -8.609 -11.020 -0.600 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -7.984 -10.875 1.031 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -4.455 -10.886 -0.554 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -5.321 -11.991 0.519 1.00 0.00 H new ATOM 122 N ASP A 9 -9.274 -13.583 1.789 1.00 0.00 N ATOM 123 CA ASP A 9 -10.549 -14.108 2.291 1.00 0.00 C ATOM 124 C ASP A 9 -11.598 -12.984 2.366 1.00 0.00 C ATOM 125 O ASP A 9 -11.250 -11.829 2.598 1.00 0.00 O ATOM 126 CB ASP A 9 -10.239 -14.775 3.636 1.00 0.00 C ATOM 127 CG ASP A 9 -11.082 -16.031 3.919 1.00 0.00 C ATOM 128 OD1 ASP A 9 -11.709 -16.546 2.975 1.00 0.00 O ATOM 129 OD2 ASP A 9 -11.145 -16.379 5.119 1.00 0.00 O ATOM 0 H ASP A 9 -8.570 -13.408 2.506 1.00 0.00 H new ATOM 0 HA ASP A 9 -10.992 -14.850 1.627 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -9.183 -15.045 3.662 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -10.403 -14.052 4.435 1.00 0.00 H new ATOM 134 N GLN A 10 -12.838 -13.305 2.017 1.00 0.00 N ATOM 135 CA GLN A 10 -13.980 -12.355 2.006 1.00 0.00 C ATOM 136 C GLN A 10 -15.255 -12.955 2.599 1.00 0.00 C ATOM 137 O GLN A 10 -15.738 -13.993 2.130 1.00 0.00 O ATOM 138 CB GLN A 10 -14.289 -11.845 0.611 1.00 0.00 C ATOM 139 CG GLN A 10 -13.408 -10.654 0.242 1.00 0.00 C ATOM 140 CD GLN A 10 -13.866 -9.970 -1.050 1.00 0.00 C ATOM 141 OE1 GLN A 10 -15.027 -9.932 -1.425 1.00 0.00 O ATOM 142 NE2 GLN A 10 -12.936 -9.367 -1.753 1.00 0.00 N ATOM 0 H GLN A 10 -13.099 -14.247 1.726 1.00 0.00 H new ATOM 0 HA GLN A 10 -13.659 -11.523 2.633 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -14.140 -12.647 -0.112 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -15.338 -11.555 0.553 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -13.419 -9.930 1.057 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -12.377 -10.989 0.127 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -11.964 -9.396 -1.444 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -13.185 -8.870 -2.608 1.00 0.00 H new ATOM 151 N LYS A 11 -15.650 -12.386 3.731 1.00 0.00 N ATOM 152 CA LYS A 11 -16.856 -12.805 4.470 1.00 0.00 C ATOM 153 C LYS A 11 -18.084 -12.189 3.781 1.00 0.00 C ATOM 154 O LYS A 11 -18.513 -11.071 4.068 1.00 0.00 O ATOM 155 CB LYS A 11 -16.777 -12.367 5.930 1.00 0.00 C ATOM 156 CG LYS A 11 -17.951 -12.916 6.758 1.00 0.00 C ATOM 157 CD LYS A 11 -18.343 -11.870 7.811 1.00 0.00 C ATOM 158 CE LYS A 11 -18.596 -12.490 9.179 1.00 0.00 C ATOM 159 NZ LYS A 11 -17.390 -12.346 10.018 1.00 0.00 N ATOM 0 H LYS A 11 -15.147 -11.616 4.173 1.00 0.00 H new ATOM 0 HA LYS A 11 -16.935 -13.892 4.462 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -15.837 -12.710 6.362 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -16.773 -11.278 5.983 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -18.800 -13.136 6.110 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -17.668 -13.851 7.241 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -17.550 -11.126 7.893 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -19.240 -11.345 7.482 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -19.445 -12.003 9.659 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -18.852 -13.544 9.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -17.564 -12.770 10.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -16.590 -12.830 9.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -17.165 -11.337 10.132 1.00 0.00 H new ATOM 173 N ASN A 12 -18.564 -12.946 2.813 1.00 0.00 N ATOM 174 CA ASN A 12 -19.749 -12.545 2.037 1.00 0.00 C ATOM 175 C ASN A 12 -20.963 -12.525 2.976 1.00 0.00 C ATOM 176 O ASN A 12 -21.210 -13.551 3.603 1.00 0.00 O ATOM 177 CB ASN A 12 -19.999 -13.541 0.900 1.00 0.00 C ATOM 178 CG ASN A 12 -20.481 -12.772 -0.324 1.00 0.00 C ATOM 179 OD1 ASN A 12 -19.944 -11.751 -0.705 1.00 0.00 O ATOM 180 ND2 ASN A 12 -21.581 -13.197 -0.899 1.00 0.00 N ATOM 0 H ASN A 12 -18.162 -13.842 2.537 1.00 0.00 H new ATOM 0 HA ASN A 12 -19.587 -11.557 1.606 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -19.085 -14.087 0.668 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -20.743 -14.279 1.200 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -21.990 -12.669 -1.670 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -22.027 -14.055 -0.575 1.00 0.00 H new ATOM 187 N PRO A 13 -21.714 -11.420 3.059 1.00 0.00 N ATOM 188 CA PRO A 13 -22.910 -11.331 3.917 1.00 0.00 C ATOM 189 C PRO A 13 -24.093 -12.168 3.409 1.00 0.00 C ATOM 190 O PRO A 13 -24.814 -12.749 4.224 1.00 0.00 O ATOM 191 CB PRO A 13 -23.227 -9.844 3.992 1.00 0.00 C ATOM 192 CG PRO A 13 -22.693 -9.291 2.669 1.00 0.00 C ATOM 193 CD PRO A 13 -21.465 -10.146 2.358 1.00 0.00 C ATOM 0 HA PRO A 13 -22.719 -11.755 4.903 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -24.298 -9.668 4.096 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -22.742 -9.374 4.847 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -23.439 -9.367 1.878 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -22.429 -8.237 2.758 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -21.350 -10.299 1.285 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -20.550 -9.670 2.712 1.00 0.00 H new ATOM 201 N LYS A 14 -24.153 -12.380 2.087 1.00 0.00 N ATOM 202 CA LYS A 14 -25.182 -13.198 1.410 1.00 0.00 C ATOM 203 C LYS A 14 -25.170 -14.637 1.955 1.00 0.00 C ATOM 204 O LYS A 14 -26.203 -15.189 2.328 1.00 0.00 O ATOM 205 CB LYS A 14 -24.898 -13.208 -0.100 1.00 0.00 C ATOM 206 CG LYS A 14 -25.837 -14.077 -0.946 1.00 0.00 C ATOM 207 CD LYS A 14 -27.026 -13.293 -1.515 1.00 0.00 C ATOM 208 CE LYS A 14 -27.978 -14.230 -2.272 1.00 0.00 C ATOM 209 NZ LYS A 14 -29.131 -13.461 -2.751 1.00 0.00 N ATOM 0 H LYS A 14 -23.474 -11.980 1.439 1.00 0.00 H new ATOM 0 HA LYS A 14 -26.166 -12.768 1.599 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -24.951 -12.183 -0.468 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -23.875 -13.551 -0.257 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -25.273 -14.519 -1.768 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -26.210 -14.900 -0.336 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -27.562 -12.797 -0.706 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -26.667 -12.512 -2.185 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -27.460 -14.693 -3.112 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -28.310 -15.037 -1.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -29.779 -14.091 -3.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -29.628 -13.039 -1.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -28.805 -12.706 -3.388 1.00 0.00 H new ATOM 223 N THR A 15 -23.961 -15.193 2.047 1.00 0.00 N ATOM 224 CA THR A 15 -23.767 -16.578 2.511 1.00 0.00 C ATOM 225 C THR A 15 -23.239 -16.652 3.959 1.00 0.00 C ATOM 226 O THR A 15 -22.985 -17.742 4.463 1.00 0.00 O ATOM 227 CB THR A 15 -22.796 -17.309 1.577 1.00 0.00 C ATOM 228 OG1 THR A 15 -21.516 -16.670 1.639 1.00 0.00 O ATOM 229 CG2 THR A 15 -23.316 -17.370 0.134 1.00 0.00 C ATOM 0 H THR A 15 -23.096 -14.708 1.807 1.00 0.00 H new ATOM 0 HA THR A 15 -24.745 -17.059 2.495 1.00 0.00 H new ATOM 0 HB THR A 15 -22.704 -18.342 1.913 1.00 0.00 H new ATOM 0 HG1 THR A 15 -20.890 -17.134 1.045 1.00 0.00 H new ATOM 0 HG21 THR A 15 -22.595 -17.897 -0.491 1.00 0.00 H new ATOM 0 HG22 THR A 15 -24.269 -17.899 0.113 1.00 0.00 H new ATOM 0 HG23 THR A 15 -23.454 -16.358 -0.246 1.00 0.00 H new ATOM 237 N ASN A 16 -22.998 -15.479 4.563 1.00 0.00 N ATOM 238 CA ASN A 16 -22.340 -15.280 5.881 1.00 0.00 C ATOM 239 C ASN A 16 -21.085 -16.148 6.085 1.00 0.00 C ATOM 240 O ASN A 16 -20.691 -16.487 7.196 1.00 0.00 O ATOM 241 CB ASN A 16 -23.402 -15.465 6.980 1.00 0.00 C ATOM 242 CG ASN A 16 -23.284 -14.342 8.007 1.00 0.00 C ATOM 243 OD1 ASN A 16 -22.613 -14.424 9.013 1.00 0.00 O ATOM 244 ND2 ASN A 16 -23.945 -13.233 7.728 1.00 0.00 N ATOM 0 H ASN A 16 -23.266 -14.594 4.132 1.00 0.00 H new ATOM 0 HA ASN A 16 -21.946 -14.265 5.931 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -24.399 -15.464 6.539 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -23.270 -16.431 7.467 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -23.894 -12.435 8.362 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -24.507 -13.174 6.879 1.00 0.00 H new ATOM 251 N LYS A 17 -20.431 -16.418 4.959 1.00 0.00 N ATOM 252 CA LYS A 17 -19.266 -17.299 4.874 1.00 0.00 C ATOM 253 C LYS A 17 -18.070 -16.596 4.248 1.00 0.00 C ATOM 254 O LYS A 17 -18.206 -15.677 3.444 1.00 0.00 O ATOM 255 CB LYS A 17 -19.585 -18.560 4.064 1.00 0.00 C ATOM 256 CG LYS A 17 -19.687 -19.790 4.977 1.00 0.00 C ATOM 257 CD LYS A 17 -19.170 -21.047 4.277 1.00 0.00 C ATOM 258 CE LYS A 17 -19.510 -22.291 5.099 1.00 0.00 C ATOM 259 NZ LYS A 17 -18.530 -23.357 4.848 1.00 0.00 N ATOM 0 H LYS A 17 -20.701 -16.022 4.059 1.00 0.00 H new ATOM 0 HA LYS A 17 -19.012 -17.579 5.897 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -20.523 -18.423 3.526 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -18.809 -18.722 3.316 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -19.114 -19.617 5.888 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -20.725 -19.939 5.276 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -19.613 -21.127 3.284 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -18.091 -20.977 4.140 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -19.521 -22.041 6.160 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -20.510 -22.641 4.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -18.775 -24.194 5.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -18.539 -23.606 3.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -17.581 -23.026 5.114 1.00 0.00 H new ATOM 273 N TYR A 18 -16.914 -17.181 4.533 1.00 0.00 N ATOM 274 CA TYR A 18 -15.623 -16.687 4.063 1.00 0.00 C ATOM 275 C TYR A 18 -15.142 -17.441 2.831 1.00 0.00 C ATOM 276 O TYR A 18 -15.176 -18.672 2.774 1.00 0.00 O ATOM 277 CB TYR A 18 -14.604 -16.797 5.208 1.00 0.00 C ATOM 278 CG TYR A 18 -14.218 -15.421 5.759 1.00 0.00 C ATOM 279 CD1 TYR A 18 -13.575 -14.516 4.895 1.00 0.00 C ATOM 280 CD2 TYR A 18 -14.356 -15.137 7.138 1.00 0.00 C ATOM 281 CE1 TYR A 18 -13.035 -13.326 5.407 1.00 0.00 C ATOM 282 CE2 TYR A 18 -13.822 -13.940 7.654 1.00 0.00 C ATOM 283 CZ TYR A 18 -13.168 -13.044 6.770 1.00 0.00 C ATOM 284 OH TYR A 18 -12.716 -11.843 7.195 1.00 0.00 O ATOM 0 H TYR A 18 -16.844 -18.023 5.104 1.00 0.00 H new ATOM 0 HA TYR A 18 -15.732 -15.644 3.766 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -15.022 -17.405 6.010 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -13.711 -17.310 4.852 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -13.497 -14.736 3.841 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -14.866 -15.831 7.789 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -12.522 -12.635 4.755 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -13.909 -13.708 8.705 1.00 0.00 H new ATOM 0 HH TYR A 18 -12.864 -11.761 8.160 1.00 0.00 H new ATOM 294 N GLU A 19 -14.858 -16.664 1.787 1.00 0.00 N ATOM 295 CA GLU A 19 -14.425 -17.201 0.488 1.00 0.00 C ATOM 296 C GLU A 19 -13.049 -16.636 0.132 1.00 0.00 C ATOM 297 O GLU A 19 -12.768 -15.473 0.404 1.00 0.00 O ATOM 298 CB GLU A 19 -15.412 -16.850 -0.636 1.00 0.00 C ATOM 299 CG GLU A 19 -16.876 -16.923 -0.181 1.00 0.00 C ATOM 300 CD GLU A 19 -17.857 -16.992 -1.350 1.00 0.00 C ATOM 301 OE1 GLU A 19 -18.208 -15.902 -1.852 1.00 0.00 O ATOM 302 OE2 GLU A 19 -18.266 -18.121 -1.680 1.00 0.00 O ATOM 0 H GLU A 19 -14.920 -15.646 1.813 1.00 0.00 H new ATOM 0 HA GLU A 19 -14.383 -18.286 0.579 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -15.199 -15.845 -1.001 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -15.261 -17.532 -1.473 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -17.011 -17.799 0.453 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -17.106 -16.050 0.429 1.00 0.00 H new ATOM 309 N THR A 20 -12.275 -17.420 -0.605 1.00 0.00 N ATOM 310 CA THR A 20 -10.913 -17.023 -0.984 1.00 0.00 C ATOM 311 C THR A 20 -10.921 -16.443 -2.403 1.00 0.00 C ATOM 312 O THR A 20 -10.769 -17.143 -3.403 1.00 0.00 O ATOM 313 CB THR A 20 -9.971 -18.221 -0.840 1.00 0.00 C ATOM 314 OG1 THR A 20 -10.152 -18.788 0.458 1.00 0.00 O ATOM 315 CG2 THR A 20 -8.498 -17.819 -0.959 1.00 0.00 C ATOM 0 H THR A 20 -12.560 -18.335 -0.955 1.00 0.00 H new ATOM 0 HA THR A 20 -10.545 -16.241 -0.319 1.00 0.00 H new ATOM 0 HB THR A 20 -10.209 -18.923 -1.639 1.00 0.00 H new ATOM 0 HG1 THR A 20 -9.556 -19.558 0.564 1.00 0.00 H new ATOM 0 HG21 THR A 20 -7.870 -18.703 -0.850 1.00 0.00 H new ATOM 0 HG22 THR A 20 -8.322 -17.367 -1.935 1.00 0.00 H new ATOM 0 HG23 THR A 20 -8.253 -17.101 -0.177 1.00 0.00 H new ATOM 323 N LYS A 21 -11.252 -15.150 -2.438 1.00 0.00 N ATOM 324 CA LYS A 21 -11.325 -14.361 -3.686 1.00 0.00 C ATOM 325 C LYS A 21 -9.940 -14.260 -4.329 1.00 0.00 C ATOM 326 O LYS A 21 -8.916 -14.467 -3.680 1.00 0.00 O ATOM 327 CB LYS A 21 -11.851 -12.952 -3.360 1.00 0.00 C ATOM 328 CG LYS A 21 -13.211 -13.008 -2.654 1.00 0.00 C ATOM 329 CD LYS A 21 -14.417 -12.796 -3.560 1.00 0.00 C ATOM 330 CE LYS A 21 -15.694 -12.916 -2.728 1.00 0.00 C ATOM 331 NZ LYS A 21 -16.721 -11.992 -3.247 1.00 0.00 N ATOM 0 H LYS A 21 -11.479 -14.612 -1.602 1.00 0.00 H new ATOM 0 HA LYS A 21 -11.999 -14.854 -4.386 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -11.132 -12.432 -2.726 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -11.941 -12.375 -4.280 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -13.309 -13.977 -2.164 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -13.228 -12.251 -1.870 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -14.366 -11.814 -4.031 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.420 -13.534 -4.362 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -16.065 -13.941 -2.761 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -15.481 -12.687 -1.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -17.663 -12.319 -2.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -16.552 -11.038 -2.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -16.672 -11.967 -4.286 1.00 0.00 H new ATOM 345 N ARG A 22 -9.940 -13.935 -5.617 1.00 0.00 N ATOM 346 CA ARG A 22 -8.707 -13.814 -6.414 1.00 0.00 C ATOM 347 C ARG A 22 -8.494 -12.389 -6.918 1.00 0.00 C ATOM 348 O ARG A 22 -9.033 -11.949 -7.942 1.00 0.00 O ATOM 349 CB ARG A 22 -8.711 -14.751 -7.621 1.00 0.00 C ATOM 350 CG ARG A 22 -7.873 -15.999 -7.357 1.00 0.00 C ATOM 351 CD ARG A 22 -7.210 -16.426 -8.656 1.00 0.00 C ATOM 352 NE ARG A 22 -6.625 -17.774 -8.532 1.00 0.00 N ATOM 353 CZ ARG A 22 -6.280 -18.543 -9.573 1.00 0.00 C ATOM 354 NH1 ARG A 22 -6.350 -18.075 -10.817 1.00 0.00 N ATOM 355 NH2 ARG A 22 -5.845 -19.767 -9.389 1.00 0.00 N ATOM 0 H ARG A 22 -10.791 -13.746 -6.146 1.00 0.00 H new ATOM 0 HA ARG A 22 -7.895 -14.090 -5.742 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -9.735 -15.041 -7.856 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -8.321 -14.226 -8.493 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -7.118 -15.794 -6.598 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -8.502 -16.802 -6.972 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -7.943 -16.416 -9.463 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -6.432 -15.711 -8.924 1.00 0.00 H new ATOM 0 HE ARG A 22 -6.473 -18.144 -7.594 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -6.669 -17.121 -10.986 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -6.084 -18.670 -11.602 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -5.766 -20.144 -8.444 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -5.586 -20.342 -10.191 1.00 0.00 H new ATOM 369 N LEU A 23 -7.708 -11.655 -6.144 1.00 0.00 N ATOM 370 CA LEU A 23 -7.364 -10.277 -6.473 1.00 0.00 C ATOM 371 C LEU A 23 -6.168 -10.216 -7.437 1.00 0.00 C ATOM 372 O LEU A 23 -5.019 -10.388 -7.040 1.00 0.00 O ATOM 373 CB LEU A 23 -7.108 -9.516 -5.165 1.00 0.00 C ATOM 374 CG LEU A 23 -8.137 -8.399 -4.987 1.00 0.00 C ATOM 375 CD1 LEU A 23 -9.563 -8.918 -4.807 1.00 0.00 C ATOM 376 CD2 LEU A 23 -7.766 -7.608 -3.740 1.00 0.00 C ATOM 0 H LEU A 23 -7.293 -11.993 -5.276 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.191 -9.799 -6.999 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -7.159 -10.204 -4.321 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.103 -9.095 -5.173 1.00 0.00 H new ATOM 0 HG LEU A 23 -8.119 -7.792 -5.892 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -10.244 -8.076 -4.686 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -9.853 -9.496 -5.684 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -9.610 -9.553 -3.922 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.487 -6.804 -3.591 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -7.776 -8.269 -2.873 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.769 -7.184 -3.861 1.00 0.00 H new ATOM 388 N LEU A 24 -6.530 -10.187 -8.712 1.00 0.00 N ATOM 389 CA LEU A 24 -5.564 -10.062 -9.827 1.00 0.00 C ATOM 390 C LEU A 24 -5.196 -8.593 -10.074 1.00 0.00 C ATOM 391 O LEU A 24 -6.053 -7.725 -10.226 1.00 0.00 O ATOM 392 CB LEU A 24 -6.088 -10.859 -11.038 1.00 0.00 C ATOM 393 CG LEU A 24 -5.728 -10.425 -12.471 1.00 0.00 C ATOM 394 CD1 LEU A 24 -6.617 -9.282 -12.974 1.00 0.00 C ATOM 395 CD2 LEU A 24 -4.255 -10.102 -12.654 1.00 0.00 C ATOM 0 H LEU A 24 -7.501 -10.249 -9.017 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.604 -10.516 -9.580 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.749 -11.888 -10.918 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -7.176 -10.872 -10.969 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.929 -11.297 -13.093 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.324 -9.012 -13.989 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.659 -9.603 -12.971 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.502 -8.417 -12.321 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.073 -9.804 -13.687 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.976 -9.287 -11.986 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.658 -10.983 -12.420 1.00 0.00 H new ATOM 407 N TYR A 25 -3.892 -8.387 -10.057 1.00 0.00 N ATOM 408 CA TYR A 25 -3.264 -7.078 -10.305 1.00 0.00 C ATOM 409 C TYR A 25 -2.291 -7.138 -11.482 1.00 0.00 C ATOM 410 O TYR A 25 -1.809 -8.201 -11.875 1.00 0.00 O ATOM 411 CB TYR A 25 -2.483 -6.628 -9.057 1.00 0.00 C ATOM 412 CG TYR A 25 -3.451 -6.345 -7.925 1.00 0.00 C ATOM 413 CD1 TYR A 25 -4.129 -5.109 -7.925 1.00 0.00 C ATOM 414 CD2 TYR A 25 -3.716 -7.353 -6.973 1.00 0.00 C ATOM 415 CE1 TYR A 25 -5.105 -4.881 -6.947 1.00 0.00 C ATOM 416 CE2 TYR A 25 -4.705 -7.114 -6.011 1.00 0.00 C ATOM 417 CZ TYR A 25 -5.370 -5.867 -5.985 1.00 0.00 C ATOM 418 OH TYR A 25 -6.051 -5.472 -4.874 1.00 0.00 O ATOM 0 H TYR A 25 -3.218 -9.129 -9.869 1.00 0.00 H new ATOM 0 HA TYR A 25 -4.061 -6.372 -10.537 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -1.776 -7.402 -8.759 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -1.901 -5.735 -9.283 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -3.901 -4.354 -8.663 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -3.170 -8.285 -6.986 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -5.652 -3.950 -6.933 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -4.959 -7.879 -5.292 1.00 0.00 H new ATOM 0 HH TYR A 25 -6.978 -5.265 -5.115 1.00 0.00 H new ATOM 428 N ASN A 26 -1.952 -5.960 -11.979 1.00 0.00 N ATOM 429 CA ASN A 26 -0.970 -5.865 -13.061 1.00 0.00 C ATOM 430 C ASN A 26 0.217 -5.024 -12.583 1.00 0.00 C ATOM 431 O ASN A 26 0.060 -3.866 -12.199 1.00 0.00 O ATOM 432 CB ASN A 26 -1.624 -5.223 -14.290 1.00 0.00 C ATOM 433 CG ASN A 26 -0.841 -5.580 -15.557 1.00 0.00 C ATOM 434 OD1 ASN A 26 -0.316 -4.738 -16.273 1.00 0.00 O ATOM 435 ND2 ASN A 26 -0.651 -6.865 -15.774 1.00 0.00 N ATOM 0 H ASN A 26 -2.331 -5.068 -11.662 1.00 0.00 H new ATOM 0 HA ASN A 26 -0.616 -6.859 -13.335 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -2.655 -5.566 -14.383 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -1.658 -4.140 -14.168 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -0.060 -7.170 -16.547 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -1.095 -7.556 -15.169 1.00 0.00 H new ATOM 442 N GLN A 27 1.412 -5.599 -12.697 1.00 0.00 N ATOM 443 CA GLN A 27 2.650 -4.877 -12.343 1.00 0.00 C ATOM 444 C GLN A 27 2.837 -3.625 -13.186 1.00 0.00 C ATOM 445 O GLN A 27 3.190 -2.607 -12.619 1.00 0.00 O ATOM 446 CB GLN A 27 3.895 -5.755 -12.442 1.00 0.00 C ATOM 447 CG GLN A 27 5.213 -4.994 -12.226 1.00 0.00 C ATOM 448 CD GLN A 27 6.073 -4.829 -13.483 1.00 0.00 C ATOM 449 OE1 GLN A 27 5.492 -4.476 -14.601 1.00 0.00 O flip ATOM 450 NE2 GLN A 27 7.276 -5.008 -13.455 1.00 0.00 N flip ATOM 0 H GLN A 27 1.558 -6.553 -13.028 1.00 0.00 H new ATOM 0 HA GLN A 27 2.529 -4.584 -11.300 1.00 0.00 H new ATOM 0 HB2 GLN A 27 3.823 -6.554 -11.704 1.00 0.00 H new ATOM 0 HB3 GLN A 27 3.917 -6.228 -13.424 1.00 0.00 H new ATOM 0 HG2 GLN A 27 4.984 -4.006 -11.827 1.00 0.00 H new ATOM 0 HG3 GLN A 27 5.798 -5.516 -11.469 1.00 0.00 H new ATOM 0 HE21 GLN A 27 7.731 -5.283 -12.584 1.00 0.00 H new ATOM 0 HE22 GLN A 27 7.830 -4.883 -14.302 1.00 0.00 H new ATOM 459 N ASN A 28 2.628 -3.684 -14.505 1.00 0.00 N ATOM 460 CA ASN A 28 2.684 -2.470 -15.351 1.00 0.00 C ATOM 461 C ASN A 28 1.924 -1.267 -14.756 1.00 0.00 C ATOM 462 O ASN A 28 2.427 -0.149 -14.748 1.00 0.00 O ATOM 463 CB ASN A 28 2.199 -2.755 -16.767 1.00 0.00 C ATOM 464 CG ASN A 28 1.997 -1.512 -17.629 1.00 0.00 C ATOM 465 OD1 ASN A 28 2.819 -0.620 -17.724 1.00 0.00 O ATOM 466 ND2 ASN A 28 0.813 -1.427 -18.190 1.00 0.00 N ATOM 0 H ASN A 28 2.420 -4.544 -15.012 1.00 0.00 H new ATOM 0 HA ASN A 28 3.737 -2.189 -15.385 1.00 0.00 H new ATOM 0 HB2 ASN A 28 2.918 -3.410 -17.259 1.00 0.00 H new ATOM 0 HB3 ASN A 28 1.257 -3.301 -16.712 1.00 0.00 H new ATOM 0 HD21 ASN A 28 0.560 -0.596 -18.724 1.00 0.00 H new ATOM 0 HD22 ASN A 28 0.146 -2.192 -18.092 1.00 0.00 H new ATOM 473 N LYS A 29 0.836 -1.599 -14.077 1.00 0.00 N ATOM 474 CA LYS A 29 0.027 -0.629 -13.321 1.00 0.00 C ATOM 475 C LYS A 29 0.563 -0.336 -11.921 1.00 0.00 C ATOM 476 O LYS A 29 0.733 0.827 -11.584 1.00 0.00 O ATOM 477 CB LYS A 29 -1.420 -1.107 -13.314 1.00 0.00 C ATOM 478 CG LYS A 29 -2.091 -0.441 -14.508 1.00 0.00 C ATOM 479 CD LYS A 29 -3.122 -1.362 -15.151 1.00 0.00 C ATOM 480 CE LYS A 29 -3.890 -0.557 -16.199 1.00 0.00 C ATOM 481 NZ LYS A 29 -5.183 -1.207 -16.456 1.00 0.00 N ATOM 0 H LYS A 29 0.479 -2.553 -14.029 1.00 0.00 H new ATOM 0 HA LYS A 29 0.088 0.336 -13.825 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -1.472 -2.193 -13.393 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.917 -0.831 -12.384 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -2.575 0.482 -14.188 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -1.336 -0.166 -15.245 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -2.631 -2.218 -15.613 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -3.805 -1.754 -14.397 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -4.046 0.463 -15.849 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -3.312 -0.493 -17.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -5.483 -1.010 -17.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -5.087 -2.234 -16.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -5.895 -0.838 -15.794 1.00 0.00 H new ATOM 495 N ALA A 30 0.963 -1.373 -11.194 1.00 0.00 N ATOM 496 CA ALA A 30 1.614 -1.238 -9.872 1.00 0.00 C ATOM 497 C ALA A 30 2.889 -0.392 -9.924 1.00 0.00 C ATOM 498 O ALA A 30 2.915 0.648 -9.277 1.00 0.00 O ATOM 499 CB ALA A 30 1.885 -2.634 -9.313 1.00 0.00 C ATOM 0 H ALA A 30 0.850 -2.341 -11.496 1.00 0.00 H new ATOM 0 HA ALA A 30 0.938 -0.702 -9.206 1.00 0.00 H new ATOM 0 HB1 ALA A 30 2.365 -2.549 -8.338 1.00 0.00 H new ATOM 0 HB2 ALA A 30 0.943 -3.173 -9.208 1.00 0.00 H new ATOM 0 HB3 ALA A 30 2.540 -3.178 -9.994 1.00 0.00 H new ATOM 505 N GLU A 31 3.739 -0.675 -10.920 1.00 0.00 N ATOM 506 CA GLU A 31 4.967 0.087 -11.218 1.00 0.00 C ATOM 507 C GLU A 31 4.625 1.529 -11.597 1.00 0.00 C ATOM 508 O GLU A 31 5.200 2.436 -11.022 1.00 0.00 O ATOM 509 CB GLU A 31 5.874 -0.584 -12.267 1.00 0.00 C ATOM 510 CG GLU A 31 5.362 -0.604 -13.724 1.00 0.00 C ATOM 511 CD GLU A 31 5.871 0.512 -14.649 1.00 0.00 C ATOM 512 OE1 GLU A 31 5.617 1.699 -14.373 1.00 0.00 O ATOM 513 OE2 GLU A 31 6.488 0.130 -15.670 1.00 0.00 O ATOM 0 H GLU A 31 3.592 -1.457 -11.558 1.00 0.00 H new ATOM 0 HA GLU A 31 5.556 0.099 -10.301 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.839 -0.078 -12.254 1.00 0.00 H new ATOM 0 HB3 GLU A 31 6.049 -1.614 -11.955 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.632 -1.563 -14.167 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.273 -0.558 -13.703 1.00 0.00 H new ATOM 520 N SER A 32 3.552 1.717 -12.373 1.00 0.00 N ATOM 521 CA SER A 32 3.134 3.048 -12.852 1.00 0.00 C ATOM 522 C SER A 32 2.522 3.906 -11.740 1.00 0.00 C ATOM 523 O SER A 32 2.953 5.031 -11.505 1.00 0.00 O ATOM 524 CB SER A 32 2.154 2.894 -14.019 1.00 0.00 C ATOM 525 OG SER A 32 2.151 4.079 -14.824 1.00 0.00 O ATOM 0 H SER A 32 2.948 0.957 -12.688 1.00 0.00 H new ATOM 0 HA SER A 32 4.027 3.571 -13.193 1.00 0.00 H new ATOM 0 HB2 SER A 32 2.434 2.034 -14.627 1.00 0.00 H new ATOM 0 HB3 SER A 32 1.151 2.702 -13.638 1.00 0.00 H new ATOM 0 HG SER A 32 1.522 3.968 -15.567 1.00 0.00 H new ATOM 531 N ASN A 33 1.703 3.248 -10.909 1.00 0.00 N ATOM 532 CA ASN A 33 1.107 3.808 -9.676 1.00 0.00 C ATOM 533 C ASN A 33 2.172 4.315 -8.709 1.00 0.00 C ATOM 534 O ASN A 33 2.191 5.496 -8.356 1.00 0.00 O ATOM 535 CB ASN A 33 0.271 2.740 -8.976 1.00 0.00 C ATOM 536 CG ASN A 33 -1.227 2.885 -9.265 1.00 0.00 C ATOM 537 OD1 ASN A 33 -1.669 3.600 -10.145 1.00 0.00 O ATOM 538 ND2 ASN A 33 -2.043 2.197 -8.508 1.00 0.00 N ATOM 0 H ASN A 33 1.425 2.281 -11.076 1.00 0.00 H new ATOM 0 HA ASN A 33 0.481 4.651 -9.969 1.00 0.00 H new ATOM 0 HB2 ASN A 33 0.606 1.753 -9.296 1.00 0.00 H new ATOM 0 HB3 ASN A 33 0.438 2.800 -7.900 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -3.050 2.260 -8.655 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -1.672 1.598 -7.771 1.00 0.00 H new ATOM 545 N SER A 34 3.102 3.426 -8.366 1.00 0.00 N ATOM 546 CA SER A 34 4.254 3.789 -7.522 1.00 0.00 C ATOM 547 C SER A 34 5.158 4.838 -8.183 1.00 0.00 C ATOM 548 O SER A 34 5.485 5.816 -7.522 1.00 0.00 O ATOM 549 CB SER A 34 5.046 2.552 -7.079 1.00 0.00 C ATOM 550 OG SER A 34 5.252 1.646 -8.163 1.00 0.00 O ATOM 0 H SER A 34 3.086 2.448 -8.656 1.00 0.00 H new ATOM 0 HA SER A 34 3.847 4.253 -6.623 1.00 0.00 H new ATOM 0 HB2 SER A 34 6.010 2.862 -6.674 1.00 0.00 H new ATOM 0 HB3 SER A 34 4.511 2.045 -6.276 1.00 0.00 H new ATOM 0 HG SER A 34 4.400 1.228 -8.407 1.00 0.00 H new ATOM 556 N HIS A 35 5.334 4.751 -9.499 1.00 0.00 N ATOM 557 CA HIS A 35 6.081 5.751 -10.296 1.00 0.00 C ATOM 558 C HIS A 35 5.380 7.121 -10.407 1.00 0.00 C ATOM 559 O HIS A 35 5.973 8.092 -10.877 1.00 0.00 O ATOM 560 CB HIS A 35 6.395 5.226 -11.708 1.00 0.00 C ATOM 561 CG HIS A 35 7.459 4.108 -11.798 1.00 0.00 C ATOM 562 ND1 HIS A 35 8.051 3.448 -10.802 1.00 0.00 N flip ATOM 563 CD2 HIS A 35 7.931 3.602 -12.926 1.00 0.00 C flip ATOM 564 CE1 HIS A 35 8.870 2.556 -11.333 1.00 0.00 C flip ATOM 565 NE2 HIS A 35 8.803 2.644 -12.652 1.00 0.00 N flip ATOM 0 H HIS A 35 4.963 3.982 -10.058 1.00 0.00 H new ATOM 0 HA HIS A 35 7.007 5.909 -9.742 1.00 0.00 H new ATOM 0 HB2 HIS A 35 5.470 4.855 -12.150 1.00 0.00 H new ATOM 0 HB3 HIS A 35 6.727 6.065 -12.320 1.00 0.00 H new ATOM 0 HD2 HIS A 35 7.648 3.922 -13.918 1.00 0.00 H new ATOM 0 HE1 HIS A 35 9.492 1.868 -10.780 1.00 0.00 H new ATOM 0 HE2 HIS A 35 9.323 2.083 -13.327 1.00 0.00 H new ATOM 574 N HIS A 36 4.122 7.169 -9.960 1.00 0.00 N ATOM 575 CA HIS A 36 3.306 8.398 -9.873 1.00 0.00 C ATOM 576 C HIS A 36 3.348 8.984 -8.462 1.00 0.00 C ATOM 577 O HIS A 36 3.510 10.185 -8.270 1.00 0.00 O ATOM 578 CB HIS A 36 1.869 8.074 -10.295 1.00 0.00 C ATOM 579 CG HIS A 36 1.473 8.792 -11.579 1.00 0.00 C ATOM 580 ND1 HIS A 36 0.557 9.757 -11.661 1.00 0.00 N ATOM 581 CD2 HIS A 36 1.971 8.591 -12.798 1.00 0.00 C ATOM 582 CE1 HIS A 36 0.489 10.158 -12.934 1.00 0.00 C ATOM 583 NE2 HIS A 36 1.361 9.435 -13.631 1.00 0.00 N ATOM 0 H HIS A 36 3.625 6.338 -9.639 1.00 0.00 H new ATOM 0 HA HIS A 36 3.715 9.152 -10.546 1.00 0.00 H new ATOM 0 HB2 HIS A 36 1.767 6.998 -10.436 1.00 0.00 H new ATOM 0 HB3 HIS A 36 1.184 8.357 -9.496 1.00 0.00 H new ATOM 0 HD2 HIS A 36 2.733 7.873 -13.064 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -0.157 10.930 -13.326 1.00 0.00 H new ATOM 0 HE2 HIS A 36 1.534 9.513 -14.633 1.00 0.00 H new ATOM 592 N ALA A 37 3.229 8.092 -7.469 1.00 0.00 N ATOM 593 CA ALA A 37 3.358 8.445 -6.034 1.00 0.00 C ATOM 594 C ALA A 37 4.762 8.983 -5.704 1.00 0.00 C ATOM 595 O ALA A 37 5.760 8.440 -6.185 1.00 0.00 O ATOM 596 CB ALA A 37 3.048 7.204 -5.197 1.00 0.00 C ATOM 0 H ALA A 37 3.040 7.103 -7.630 1.00 0.00 H new ATOM 0 HA ALA A 37 2.651 9.241 -5.801 1.00 0.00 H new ATOM 0 HB1 ALA A 37 3.139 7.447 -4.138 1.00 0.00 H new ATOM 0 HB2 ALA A 37 2.032 6.868 -5.407 1.00 0.00 H new ATOM 0 HB3 ALA A 37 3.752 6.410 -5.448 1.00 0.00 H new ATOM 602 N PRO A 38 4.851 10.086 -4.936 1.00 0.00 N ATOM 603 CA PRO A 38 6.142 10.675 -4.535 1.00 0.00 C ATOM 604 C PRO A 38 6.843 9.766 -3.531 1.00 0.00 C ATOM 605 O PRO A 38 6.227 8.940 -2.860 1.00 0.00 O ATOM 606 CB PRO A 38 5.781 12.027 -3.903 1.00 0.00 C ATOM 607 CG PRO A 38 4.372 11.827 -3.353 1.00 0.00 C ATOM 608 CD PRO A 38 3.742 10.857 -4.341 1.00 0.00 C ATOM 0 HA PRO A 38 6.827 10.796 -5.374 1.00 0.00 H new ATOM 0 HB2 PRO A 38 6.482 12.295 -3.112 1.00 0.00 H new ATOM 0 HB3 PRO A 38 5.809 12.830 -4.640 1.00 0.00 H new ATOM 0 HG2 PRO A 38 4.389 11.417 -2.343 1.00 0.00 H new ATOM 0 HG3 PRO A 38 3.822 12.767 -3.306 1.00 0.00 H new ATOM 0 HD2 PRO A 38 3.036 10.196 -3.839 1.00 0.00 H new ATOM 0 HD3 PRO A 38 3.186 11.393 -5.110 1.00 0.00 H new ATOM 616 N LEU A 39 8.129 9.982 -3.370 1.00 0.00 N ATOM 617 CA LEU A 39 8.944 9.185 -2.453 1.00 0.00 C ATOM 618 C LEU A 39 9.117 9.847 -1.086 1.00 0.00 C ATOM 619 O LEU A 39 10.083 10.561 -0.808 1.00 0.00 O ATOM 620 CB LEU A 39 10.272 8.955 -3.145 1.00 0.00 C ATOM 621 CG LEU A 39 10.184 7.785 -4.110 1.00 0.00 C ATOM 622 CD1 LEU A 39 11.482 7.787 -4.924 1.00 0.00 C ATOM 623 CD2 LEU A 39 9.965 6.460 -3.371 1.00 0.00 C ATOM 0 H LEU A 39 8.646 10.709 -3.864 1.00 0.00 H new ATOM 0 HA LEU A 39 8.448 8.239 -2.236 1.00 0.00 H new ATOM 0 HB2 LEU A 39 10.566 9.855 -3.684 1.00 0.00 H new ATOM 0 HB3 LEU A 39 11.045 8.761 -2.402 1.00 0.00 H new ATOM 0 HG LEU A 39 9.324 7.890 -4.771 1.00 0.00 H new ATOM 0 HD11 LEU A 39 11.467 6.961 -5.635 1.00 0.00 H new ATOM 0 HD12 LEU A 39 11.571 8.729 -5.465 1.00 0.00 H new ATOM 0 HD13 LEU A 39 12.333 7.672 -4.252 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.907 5.646 -4.093 1.00 0.00 H new ATOM 0 HD22 LEU A 39 10.797 6.282 -2.689 1.00 0.00 H new ATOM 0 HD23 LEU A 39 9.035 6.509 -2.804 1.00 0.00 H new ATOM 635 N SER A 40 8.136 9.565 -0.243 1.00 0.00 N ATOM 636 CA SER A 40 8.030 10.194 1.085 1.00 0.00 C ATOM 637 C SER A 40 7.029 9.466 1.974 1.00 0.00 C ATOM 638 O SER A 40 5.863 9.336 1.621 1.00 0.00 O ATOM 639 CB SER A 40 7.621 11.674 0.936 1.00 0.00 C ATOM 640 OG SER A 40 6.630 11.845 -0.086 1.00 0.00 O ATOM 0 H SER A 40 7.391 8.900 -0.448 1.00 0.00 H new ATOM 0 HA SER A 40 9.008 10.131 1.562 1.00 0.00 H new ATOM 0 HB2 SER A 40 7.233 12.043 1.886 1.00 0.00 H new ATOM 0 HB3 SER A 40 8.500 12.273 0.696 1.00 0.00 H new ATOM 0 HG SER A 40 6.391 12.793 -0.155 1.00 0.00 H new ATOM 646 N ASP A 41 7.537 9.011 3.118 1.00 0.00 N ATOM 647 CA ASP A 41 6.716 8.279 4.095 1.00 0.00 C ATOM 648 C ASP A 41 5.769 9.260 4.793 1.00 0.00 C ATOM 649 O ASP A 41 6.225 10.202 5.433 1.00 0.00 O ATOM 650 CB ASP A 41 7.603 7.580 5.130 1.00 0.00 C ATOM 651 CG ASP A 41 6.836 7.127 6.365 1.00 0.00 C ATOM 652 OD1 ASP A 41 5.926 6.295 6.194 1.00 0.00 O ATOM 653 OD2 ASP A 41 7.073 7.722 7.444 1.00 0.00 O ATOM 0 H ASP A 41 8.511 9.133 3.396 1.00 0.00 H new ATOM 0 HA ASP A 41 6.136 7.518 3.573 1.00 0.00 H new ATOM 0 HB2 ASP A 41 8.079 6.715 4.667 1.00 0.00 H new ATOM 0 HB3 ASP A 41 8.401 8.258 5.433 1.00 0.00 H new ATOM 658 N GLY A 42 4.485 8.925 4.705 1.00 0.00 N ATOM 659 CA GLY A 42 3.398 9.689 5.349 1.00 0.00 C ATOM 660 C GLY A 42 3.570 11.200 5.163 1.00 0.00 C ATOM 661 O GLY A 42 3.872 11.913 6.115 1.00 0.00 O ATOM 0 H GLY A 42 4.158 8.112 4.183 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.440 9.379 4.931 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.372 9.455 6.413 1.00 0.00 H new ATOM 665 N LYS A 43 3.589 11.615 3.895 1.00 0.00 N ATOM 666 CA LYS A 43 3.796 13.030 3.541 1.00 0.00 C ATOM 667 C LYS A 43 2.870 13.506 2.410 1.00 0.00 C ATOM 668 O LYS A 43 3.074 14.534 1.764 1.00 0.00 O ATOM 669 CB LYS A 43 5.278 13.218 3.194 1.00 0.00 C ATOM 670 CG LYS A 43 5.773 14.603 3.576 1.00 0.00 C ATOM 671 CD LYS A 43 7.291 14.702 3.411 1.00 0.00 C ATOM 672 CE LYS A 43 7.770 16.109 3.751 1.00 0.00 C ATOM 673 NZ LYS A 43 9.237 16.168 3.636 1.00 0.00 N ATOM 0 H LYS A 43 3.464 10.996 3.094 1.00 0.00 H new ATOM 0 HA LYS A 43 3.532 13.655 4.394 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.871 12.464 3.711 1.00 0.00 H new ATOM 0 HB3 LYS A 43 5.424 13.061 2.125 1.00 0.00 H new ATOM 0 HG2 LYS A 43 5.285 15.353 2.953 1.00 0.00 H new ATOM 0 HG3 LYS A 43 5.500 14.820 4.609 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.782 13.977 4.060 1.00 0.00 H new ATOM 0 HD3 LYS A 43 7.569 14.453 2.387 1.00 0.00 H new ATOM 0 HE2 LYS A 43 7.312 16.833 3.078 1.00 0.00 H new ATOM 0 HE3 LYS A 43 7.463 16.375 4.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 9.565 17.127 3.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 9.665 15.487 4.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 9.519 15.931 2.663 1.00 0.00 H new ATOM 687 N THR A 44 1.776 12.779 2.278 1.00 0.00 N ATOM 688 CA THR A 44 0.762 13.032 1.246 1.00 0.00 C ATOM 689 C THR A 44 -0.603 13.015 1.923 1.00 0.00 C ATOM 690 O THR A 44 -0.733 12.680 3.097 1.00 0.00 O ATOM 691 CB THR A 44 0.866 11.967 0.144 1.00 0.00 C ATOM 692 OG1 THR A 44 2.212 11.451 0.078 1.00 0.00 O ATOM 693 CG2 THR A 44 0.571 12.560 -1.225 1.00 0.00 C ATOM 0 H THR A 44 1.555 11.988 2.884 1.00 0.00 H new ATOM 0 HA THR A 44 0.914 14.001 0.771 1.00 0.00 H new ATOM 0 HB THR A 44 0.145 11.187 0.390 1.00 0.00 H new ATOM 0 HG1 THR A 44 2.186 10.495 -0.136 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.653 11.782 -1.984 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.439 12.971 -1.234 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.287 13.353 -1.440 1.00 0.00 H new ATOM 701 N GLY A 45 -1.615 13.320 1.128 1.00 0.00 N ATOM 702 CA GLY A 45 -3.003 13.417 1.593 1.00 0.00 C ATOM 703 C GLY A 45 -3.482 12.158 2.324 1.00 0.00 C ATOM 704 O GLY A 45 -3.607 12.152 3.550 1.00 0.00 O ATOM 0 H GLY A 45 -1.503 13.510 0.132 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -3.098 14.275 2.259 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.654 13.604 0.739 1.00 0.00 H new ATOM 708 N SER A 46 -3.594 11.070 1.573 1.00 0.00 N ATOM 709 CA SER A 46 -3.978 9.762 2.142 1.00 0.00 C ATOM 710 C SER A 46 -2.855 9.119 2.961 1.00 0.00 C ATOM 711 O SER A 46 -2.976 7.952 3.356 1.00 0.00 O ATOM 712 CB SER A 46 -4.391 8.799 1.028 1.00 0.00 C ATOM 713 OG SER A 46 -3.237 8.201 0.415 1.00 0.00 O ATOM 0 H SER A 46 -3.427 11.056 0.567 1.00 0.00 H new ATOM 0 HA SER A 46 -4.816 9.952 2.813 1.00 0.00 H new ATOM 0 HB2 SER A 46 -5.036 8.021 1.435 1.00 0.00 H new ATOM 0 HB3 SER A 46 -4.972 9.333 0.276 1.00 0.00 H new ATOM 0 HG SER A 46 -3.496 7.363 -0.023 1.00 0.00 H new ATOM 719 N SER A 47 -1.730 9.836 3.109 1.00 0.00 N ATOM 720 CA SER A 47 -0.487 9.437 3.810 1.00 0.00 C ATOM 721 C SER A 47 0.465 8.657 2.888 1.00 0.00 C ATOM 722 O SER A 47 1.652 8.955 2.802 1.00 0.00 O ATOM 723 CB SER A 47 -0.811 8.667 5.107 1.00 0.00 C ATOM 724 OG SER A 47 0.312 8.405 5.946 1.00 0.00 O ATOM 0 H SER A 47 -1.654 10.775 2.717 1.00 0.00 H new ATOM 0 HA SER A 47 0.043 10.346 4.096 1.00 0.00 H new ATOM 0 HB2 SER A 47 -1.546 9.236 5.676 1.00 0.00 H new ATOM 0 HB3 SER A 47 -1.277 7.718 4.842 1.00 0.00 H new ATOM 0 HG SER A 47 0.018 7.917 6.743 1.00 0.00 H new ATOM 730 N TYR A 48 -0.153 7.885 1.997 1.00 0.00 N ATOM 731 CA TYR A 48 0.513 7.082 0.948 1.00 0.00 C ATOM 732 C TYR A 48 1.381 7.913 -0.008 1.00 0.00 C ATOM 733 O TYR A 48 0.935 8.965 -0.478 1.00 0.00 O ATOM 734 CB TYR A 48 -0.538 6.290 0.154 1.00 0.00 C ATOM 735 CG TYR A 48 -1.241 5.247 1.028 1.00 0.00 C ATOM 736 CD1 TYR A 48 -0.702 3.950 1.140 1.00 0.00 C ATOM 737 CD2 TYR A 48 -2.455 5.597 1.643 1.00 0.00 C ATOM 738 CE1 TYR A 48 -1.421 2.972 1.858 1.00 0.00 C ATOM 739 CE2 TYR A 48 -3.161 4.639 2.398 1.00 0.00 C ATOM 740 CZ TYR A 48 -2.628 3.333 2.492 1.00 0.00 C ATOM 741 OH TYR A 48 -3.254 2.426 3.277 1.00 0.00 O ATOM 0 H TYR A 48 -1.168 7.791 1.976 1.00 0.00 H new ATOM 0 HA TYR A 48 1.193 6.402 1.462 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -1.277 6.977 -0.258 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -0.059 5.794 -0.690 1.00 0.00 H new ATOM 0 HD1 TYR A 48 0.246 3.709 0.683 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -2.846 6.598 1.537 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -1.052 1.959 1.922 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -4.086 4.896 2.892 1.00 0.00 H new ATOM 0 HH TYR A 48 -3.469 2.835 4.141 1.00 0.00 H new ATOM 751 N PRO A 49 2.559 7.397 -0.380 1.00 0.00 N ATOM 752 CA PRO A 49 3.059 6.079 0.043 1.00 0.00 C ATOM 753 C PRO A 49 3.674 6.120 1.437 1.00 0.00 C ATOM 754 O PRO A 49 4.351 7.058 1.845 1.00 0.00 O ATOM 755 CB PRO A 49 4.056 5.669 -1.037 1.00 0.00 C ATOM 756 CG PRO A 49 4.595 6.998 -1.529 1.00 0.00 C ATOM 757 CD PRO A 49 3.450 8.003 -1.379 1.00 0.00 C ATOM 0 HA PRO A 49 2.256 5.347 0.133 1.00 0.00 H new ATOM 0 HB2 PRO A 49 4.848 5.036 -0.636 1.00 0.00 H new ATOM 0 HB3 PRO A 49 3.575 5.108 -1.838 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.463 7.306 -0.946 1.00 0.00 H new ATOM 0 HG3 PRO A 49 4.918 6.927 -2.568 1.00 0.00 H new ATOM 0 HD2 PRO A 49 3.816 8.975 -1.048 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.935 8.162 -2.326 1.00 0.00 H new ATOM 765 N HIS A 50 3.119 5.222 2.241 1.00 0.00 N ATOM 766 CA HIS A 50 3.589 5.079 3.619 1.00 0.00 C ATOM 767 C HIS A 50 4.692 4.020 3.644 1.00 0.00 C ATOM 768 O HIS A 50 5.012 3.402 2.622 1.00 0.00 O ATOM 769 CB HIS A 50 2.421 4.753 4.571 1.00 0.00 C ATOM 770 CG HIS A 50 1.895 3.312 4.499 1.00 0.00 C ATOM 771 ND1 HIS A 50 1.716 2.491 5.528 1.00 0.00 N ATOM 772 CD2 HIS A 50 1.361 2.739 3.436 1.00 0.00 C ATOM 773 CE1 HIS A 50 1.030 1.423 5.113 1.00 0.00 C ATOM 774 NE2 HIS A 50 0.814 1.588 3.810 1.00 0.00 N ATOM 0 H HIS A 50 2.361 4.594 1.975 1.00 0.00 H new ATOM 0 HA HIS A 50 4.006 6.020 3.978 1.00 0.00 H new ATOM 0 HB2 HIS A 50 2.741 4.954 5.593 1.00 0.00 H new ATOM 0 HB3 HIS A 50 1.598 5.434 4.355 1.00 0.00 H new ATOM 0 HD2 HIS A 50 1.368 3.139 2.433 1.00 0.00 H new ATOM 0 HE1 HIS A 50 0.712 0.587 5.718 1.00 0.00 H new ATOM 0 HE2 HIS A 50 0.313 0.940 3.202 1.00 0.00 H new ATOM 783 N TRP A 51 5.402 4.013 4.762 1.00 0.00 N ATOM 784 CA TRP A 51 6.433 3.017 5.043 1.00 0.00 C ATOM 785 C TRP A 51 5.794 1.662 5.334 1.00 0.00 C ATOM 786 O TRP A 51 4.839 1.509 6.105 1.00 0.00 O ATOM 787 CB TRP A 51 7.314 3.504 6.189 1.00 0.00 C ATOM 788 CG TRP A 51 8.090 2.411 6.932 1.00 0.00 C ATOM 789 CD1 TRP A 51 9.070 1.633 6.470 1.00 0.00 C ATOM 790 CD2 TRP A 51 7.827 2.039 8.235 1.00 0.00 C ATOM 791 NE1 TRP A 51 9.434 0.764 7.417 1.00 0.00 N ATOM 792 CE2 TRP A 51 8.722 0.998 8.518 1.00 0.00 C ATOM 793 CE3 TRP A 51 6.961 2.549 9.227 1.00 0.00 C ATOM 794 CZ2 TRP A 51 8.766 0.441 9.812 1.00 0.00 C ATOM 795 CZ3 TRP A 51 7.017 2.000 10.524 1.00 0.00 C ATOM 796 CH2 TRP A 51 7.912 0.950 10.796 1.00 0.00 C ATOM 0 H TRP A 51 5.281 4.700 5.506 1.00 0.00 H new ATOM 0 HA TRP A 51 7.071 2.885 4.169 1.00 0.00 H new ATOM 0 HB2 TRP A 51 8.027 4.228 5.794 1.00 0.00 H new ATOM 0 HB3 TRP A 51 6.687 4.033 6.907 1.00 0.00 H new ATOM 0 HD1 TRP A 51 9.503 1.696 5.482 1.00 0.00 H new ATOM 0 HE1 TRP A 51 10.143 0.038 7.314 1.00 0.00 H new ATOM 0 HE3 TRP A 51 6.269 3.345 8.996 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 9.448 -0.365 10.040 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 6.376 2.383 11.304 1.00 0.00 H new ATOM 0 HH2 TRP A 51 7.941 0.526 11.789 1.00 0.00 H new ATOM 807 N PHE A 52 6.457 0.701 4.735 1.00 0.00 N ATOM 808 CA PHE A 52 6.108 -0.709 4.812 1.00 0.00 C ATOM 809 C PHE A 52 7.030 -1.373 5.812 1.00 0.00 C ATOM 810 O PHE A 52 8.138 -1.809 5.495 1.00 0.00 O ATOM 811 CB PHE A 52 6.189 -1.366 3.444 1.00 0.00 C ATOM 812 CG PHE A 52 5.621 -2.786 3.454 1.00 0.00 C ATOM 813 CD1 PHE A 52 4.435 -3.101 4.158 1.00 0.00 C ATOM 814 CD2 PHE A 52 6.295 -3.753 2.690 1.00 0.00 C ATOM 815 CE1 PHE A 52 3.906 -4.407 4.089 1.00 0.00 C ATOM 816 CE2 PHE A 52 5.766 -5.059 2.622 1.00 0.00 C ATOM 817 CZ PHE A 52 4.586 -5.372 3.333 1.00 0.00 C ATOM 0 H PHE A 52 7.281 0.878 4.161 1.00 0.00 H new ATOM 0 HA PHE A 52 5.077 -0.821 5.146 1.00 0.00 H new ATOM 0 HB2 PHE A 52 5.643 -0.762 2.719 1.00 0.00 H new ATOM 0 HB3 PHE A 52 7.228 -1.394 3.117 1.00 0.00 H new ATOM 0 HD1 PHE A 52 3.937 -2.345 4.746 1.00 0.00 H new ATOM 0 HD2 PHE A 52 7.203 -3.501 2.163 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.994 -4.659 4.609 1.00 0.00 H new ATOM 0 HE2 PHE A 52 6.260 -5.815 2.030 1.00 0.00 H new ATOM 0 HZ PHE A 52 4.198 -6.379 3.293 1.00 0.00 H new ATOM 827 N THR A 53 6.487 -1.376 7.027 1.00 0.00 N ATOM 828 CA THR A 53 7.071 -2.104 8.173 1.00 0.00 C ATOM 829 C THR A 53 7.699 -3.422 7.721 1.00 0.00 C ATOM 830 O THR A 53 8.892 -3.640 7.895 1.00 0.00 O ATOM 831 CB THR A 53 6.032 -2.358 9.279 1.00 0.00 C ATOM 832 OG1 THR A 53 4.960 -3.175 8.807 1.00 0.00 O ATOM 833 CG2 THR A 53 5.405 -1.084 9.844 1.00 0.00 C ATOM 0 H THR A 53 5.628 -0.876 7.255 1.00 0.00 H new ATOM 0 HA THR A 53 7.853 -1.470 8.591 1.00 0.00 H new ATOM 0 HB THR A 53 6.596 -2.854 10.069 1.00 0.00 H new ATOM 0 HG1 THR A 53 4.316 -3.321 9.532 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.684 -1.346 10.618 1.00 0.00 H new ATOM 0 HG22 THR A 53 6.184 -0.454 10.273 1.00 0.00 H new ATOM 0 HG23 THR A 53 4.899 -0.542 9.045 1.00 0.00 H new ATOM 841 N ASN A 54 6.902 -4.169 6.958 1.00 0.00 N ATOM 842 CA ASN A 54 7.235 -5.511 6.425 1.00 0.00 C ATOM 843 C ASN A 54 7.771 -6.433 7.541 1.00 0.00 C ATOM 844 O ASN A 54 8.590 -7.314 7.322 1.00 0.00 O ATOM 845 CB ASN A 54 8.254 -5.350 5.274 1.00 0.00 C ATOM 846 CG ASN A 54 8.207 -6.534 4.292 1.00 0.00 C ATOM 847 OD1 ASN A 54 7.186 -7.169 4.044 1.00 0.00 O ATOM 848 ND2 ASN A 54 9.340 -6.941 3.793 1.00 0.00 N ATOM 0 H ASN A 54 5.973 -3.856 6.678 1.00 0.00 H new ATOM 0 HA ASN A 54 6.335 -5.986 6.036 1.00 0.00 H new ATOM 0 HB2 ASN A 54 8.050 -4.424 4.736 1.00 0.00 H new ATOM 0 HB3 ASN A 54 9.258 -5.263 5.689 1.00 0.00 H new ATOM 0 HD21 ASN A 54 9.369 -7.775 3.207 1.00 0.00 H new ATOM 0 HD22 ASN A 54 10.198 -6.425 3.989 1.00 0.00 H new ATOM 855 N GLY A 55 7.352 -6.097 8.762 1.00 0.00 N ATOM 856 CA GLY A 55 7.793 -6.736 10.021 1.00 0.00 C ATOM 857 C GLY A 55 8.625 -5.787 10.888 1.00 0.00 C ATOM 858 O GLY A 55 8.475 -5.768 12.104 1.00 0.00 O ATOM 0 H GLY A 55 6.675 -5.350 8.916 1.00 0.00 H new ATOM 0 HA2 GLY A 55 6.920 -7.069 10.583 1.00 0.00 H new ATOM 0 HA3 GLY A 55 8.381 -7.624 9.790 1.00 0.00 H new ATOM 862 N TYR A 56 9.516 -5.043 10.255 1.00 0.00 N ATOM 863 CA TYR A 56 10.420 -4.091 10.931 1.00 0.00 C ATOM 864 C TYR A 56 9.635 -2.921 11.553 1.00 0.00 C ATOM 865 O TYR A 56 8.638 -2.469 11.018 1.00 0.00 O ATOM 866 CB TYR A 56 11.435 -3.541 9.920 1.00 0.00 C ATOM 867 CG TYR A 56 12.185 -4.665 9.175 1.00 0.00 C ATOM 868 CD1 TYR A 56 11.618 -5.210 8.004 1.00 0.00 C ATOM 869 CD2 TYR A 56 13.470 -5.022 9.612 1.00 0.00 C ATOM 870 CE1 TYR A 56 12.374 -6.115 7.226 1.00 0.00 C ATOM 871 CE2 TYR A 56 14.223 -5.939 8.853 1.00 0.00 C ATOM 872 CZ TYR A 56 13.666 -6.471 7.671 1.00 0.00 C ATOM 873 OH TYR A 56 14.382 -7.392 6.968 1.00 0.00 O ATOM 0 H TYR A 56 9.644 -5.074 9.244 1.00 0.00 H new ATOM 0 HA TYR A 56 10.937 -4.622 11.731 1.00 0.00 H new ATOM 0 HB2 TYR A 56 10.919 -2.910 9.197 1.00 0.00 H new ATOM 0 HB3 TYR A 56 12.155 -2.908 10.439 1.00 0.00 H new ATOM 0 HD1 TYR A 56 10.616 -4.938 7.705 1.00 0.00 H new ATOM 0 HD2 TYR A 56 13.876 -4.599 10.519 1.00 0.00 H new ATOM 0 HE1 TYR A 56 11.973 -6.525 6.311 1.00 0.00 H new ATOM 0 HE2 TYR A 56 15.213 -6.231 9.171 1.00 0.00 H new ATOM 0 HH TYR A 56 15.251 -7.529 7.399 1.00 0.00 H new ATOM 883 N ASP A 57 10.098 -2.485 12.712 1.00 0.00 N ATOM 884 CA ASP A 57 9.491 -1.383 13.487 1.00 0.00 C ATOM 885 C ASP A 57 9.935 -0.002 13.011 1.00 0.00 C ATOM 886 O ASP A 57 9.408 1.022 13.461 1.00 0.00 O ATOM 887 CB ASP A 57 9.853 -1.552 14.958 1.00 0.00 C ATOM 888 CG ASP A 57 8.640 -1.748 15.883 1.00 0.00 C ATOM 889 OD1 ASP A 57 7.628 -2.310 15.419 1.00 0.00 O ATOM 890 OD2 ASP A 57 8.788 -1.347 17.059 1.00 0.00 O ATOM 0 H ASP A 57 10.922 -2.886 13.161 1.00 0.00 H new ATOM 0 HA ASP A 57 8.412 -1.438 13.339 1.00 0.00 H new ATOM 0 HB2 ASP A 57 10.518 -2.409 15.062 1.00 0.00 H new ATOM 0 HB3 ASP A 57 10.410 -0.675 15.287 1.00 0.00 H new ATOM 895 N GLY A 58 10.932 0.000 12.142 1.00 0.00 N ATOM 896 CA GLY A 58 11.522 1.227 11.549 1.00 0.00 C ATOM 897 C GLY A 58 13.048 1.253 11.652 1.00 0.00 C ATOM 898 O GLY A 58 13.726 1.836 10.819 1.00 0.00 O ATOM 0 H GLY A 58 11.374 -0.858 11.812 1.00 0.00 H new ATOM 0 HA2 GLY A 58 11.231 1.296 10.501 1.00 0.00 H new ATOM 0 HA3 GLY A 58 11.112 2.103 12.052 1.00 0.00 H new ATOM 1029 N THR A 67 10.100 -11.862 10.573 1.00 0.00 N ATOM 1030 CA THR A 67 9.200 -12.470 9.555 1.00 0.00 C ATOM 1031 C THR A 67 8.947 -11.603 8.295 1.00 0.00 C ATOM 1032 O THR A 67 7.802 -11.435 7.857 1.00 0.00 O ATOM 1033 CB THR A 67 7.921 -13.003 10.230 1.00 0.00 C ATOM 1034 OG1 THR A 67 7.307 -13.970 9.373 1.00 0.00 O ATOM 1035 CG2 THR A 67 6.905 -11.914 10.626 1.00 0.00 C ATOM 0 HA THR A 67 9.732 -13.322 9.132 1.00 0.00 H new ATOM 0 HB THR A 67 8.233 -13.457 11.171 1.00 0.00 H new ATOM 0 HG1 THR A 67 7.112 -13.560 8.505 1.00 0.00 H new ATOM 0 HG21 THR A 67 6.037 -12.379 11.094 1.00 0.00 H new ATOM 0 HG22 THR A 67 7.369 -11.222 11.329 1.00 0.00 H new ATOM 0 HG23 THR A 67 6.590 -11.370 9.736 1.00 0.00 H new ATOM 1043 N PRO A 68 9.989 -11.000 7.696 1.00 0.00 N ATOM 1044 CA PRO A 68 9.818 -10.106 6.548 1.00 0.00 C ATOM 1045 C PRO A 68 9.508 -10.933 5.309 1.00 0.00 C ATOM 1046 O PRO A 68 10.115 -11.977 5.059 1.00 0.00 O ATOM 1047 CB PRO A 68 11.125 -9.343 6.381 1.00 0.00 C ATOM 1048 CG PRO A 68 12.173 -10.149 7.147 1.00 0.00 C ATOM 1049 CD PRO A 68 11.425 -11.245 7.911 1.00 0.00 C ATOM 0 HA PRO A 68 8.994 -9.409 6.698 1.00 0.00 H new ATOM 0 HB2 PRO A 68 11.393 -9.251 5.329 1.00 0.00 H new ATOM 0 HB3 PRO A 68 11.042 -8.331 6.778 1.00 0.00 H new ATOM 0 HG2 PRO A 68 12.901 -10.584 6.462 1.00 0.00 H new ATOM 0 HG3 PRO A 68 12.726 -9.508 7.834 1.00 0.00 H new ATOM 0 HD2 PRO A 68 11.708 -12.233 7.548 1.00 0.00 H new ATOM 0 HD3 PRO A 68 11.669 -11.213 8.973 1.00 0.00 H new ATOM 1057 N ILE A 69 8.539 -10.434 4.561 1.00 0.00 N ATOM 1058 CA ILE A 69 8.145 -11.065 3.291 1.00 0.00 C ATOM 1059 C ILE A 69 9.379 -11.188 2.368 1.00 0.00 C ATOM 1060 O ILE A 69 10.052 -10.204 2.065 1.00 0.00 O ATOM 1061 CB ILE A 69 6.948 -10.334 2.647 1.00 0.00 C ATOM 1062 CG1 ILE A 69 5.722 -10.675 3.505 1.00 0.00 C ATOM 1063 CG2 ILE A 69 6.775 -10.688 1.169 1.00 0.00 C ATOM 1064 CD1 ILE A 69 4.410 -10.022 3.047 1.00 0.00 C ATOM 0 H ILE A 69 8.006 -9.598 4.801 1.00 0.00 H new ATOM 0 HA ILE A 69 7.788 -12.078 3.477 1.00 0.00 H new ATOM 0 HB ILE A 69 7.107 -9.256 2.635 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.590 -11.757 3.510 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.921 -10.373 4.533 1.00 0.00 H new ATOM 0 HG21 ILE A 69 5.920 -10.148 0.763 1.00 0.00 H new ATOM 0 HG22 ILE A 69 7.674 -10.409 0.620 1.00 0.00 H new ATOM 0 HG23 ILE A 69 6.607 -11.760 1.069 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.602 -10.322 3.714 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.516 -8.937 3.070 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.179 -10.342 2.031 1.00 0.00 H new ATOM 1076 N LYS A 70 9.650 -12.440 2.026 1.00 0.00 N ATOM 1077 CA LYS A 70 10.734 -12.768 1.095 1.00 0.00 C ATOM 1078 C LYS A 70 10.258 -12.598 -0.348 1.00 0.00 C ATOM 1079 O LYS A 70 9.218 -13.117 -0.746 1.00 0.00 O ATOM 1080 CB LYS A 70 11.319 -14.165 1.345 1.00 0.00 C ATOM 1081 CG LYS A 70 10.345 -15.343 1.252 1.00 0.00 C ATOM 1082 CD LYS A 70 10.663 -16.234 0.047 1.00 0.00 C ATOM 1083 CE LYS A 70 10.107 -17.635 0.318 1.00 0.00 C ATOM 1084 NZ LYS A 70 9.626 -18.240 -0.925 1.00 0.00 N ATOM 0 H LYS A 70 9.137 -13.249 2.376 1.00 0.00 H new ATOM 0 HA LYS A 70 11.550 -12.067 1.273 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.123 -14.331 0.628 1.00 0.00 H new ATOM 0 HB3 LYS A 70 11.770 -14.173 2.337 1.00 0.00 H new ATOM 0 HG2 LYS A 70 10.396 -15.933 2.167 1.00 0.00 H new ATOM 0 HG3 LYS A 70 9.325 -14.968 1.171 1.00 0.00 H new ATOM 0 HD2 LYS A 70 10.220 -15.819 -0.858 1.00 0.00 H new ATOM 0 HD3 LYS A 70 11.740 -16.279 -0.117 1.00 0.00 H new ATOM 0 HE2 LYS A 70 10.882 -18.262 0.760 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.293 -17.577 1.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 9.252 -19.190 -0.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 8.873 -17.649 -1.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 10.412 -18.312 -1.603 1.00 0.00 H new ATOM 1098 N PHE A 71 10.938 -11.688 -1.022 1.00 0.00 N ATOM 1099 CA PHE A 71 10.633 -11.341 -2.416 1.00 0.00 C ATOM 1100 C PHE A 71 11.567 -12.026 -3.420 1.00 0.00 C ATOM 1101 O PHE A 71 11.157 -12.393 -4.517 1.00 0.00 O ATOM 1102 CB PHE A 71 10.732 -9.824 -2.570 1.00 0.00 C ATOM 1103 CG PHE A 71 9.710 -9.046 -1.734 1.00 0.00 C ATOM 1104 CD1 PHE A 71 8.445 -8.772 -2.277 1.00 0.00 C ATOM 1105 CD2 PHE A 71 10.089 -8.538 -0.467 1.00 0.00 C ATOM 1106 CE1 PHE A 71 7.524 -7.978 -1.553 1.00 0.00 C ATOM 1107 CE2 PHE A 71 9.174 -7.743 0.265 1.00 0.00 C ATOM 1108 CZ PHE A 71 7.898 -7.477 -0.281 1.00 0.00 C ATOM 0 H PHE A 71 11.719 -11.164 -0.627 1.00 0.00 H new ATOM 0 HA PHE A 71 9.626 -11.695 -2.637 1.00 0.00 H new ATOM 0 HB2 PHE A 71 11.735 -9.505 -2.288 1.00 0.00 H new ATOM 0 HB3 PHE A 71 10.599 -9.566 -3.621 1.00 0.00 H new ATOM 0 HD1 PHE A 71 8.175 -9.166 -3.245 1.00 0.00 H new ATOM 0 HD2 PHE A 71 11.067 -8.755 -0.063 1.00 0.00 H new ATOM 0 HE1 PHE A 71 6.550 -7.757 -1.964 1.00 0.00 H new ATOM 0 HE2 PHE A 71 9.448 -7.344 1.230 1.00 0.00 H new ATOM 0 HZ PHE A 71 7.195 -6.881 0.281 1.00 0.00 H new ATOM 1118 N GLY A 72 12.825 -12.159 -3.001 1.00 0.00 N ATOM 1119 CA GLY A 72 13.914 -12.763 -3.794 1.00 0.00 C ATOM 1120 C GLY A 72 14.936 -11.726 -4.287 1.00 0.00 C ATOM 1121 O GLY A 72 15.631 -11.934 -5.275 1.00 0.00 O ATOM 0 H GLY A 72 13.130 -11.845 -2.080 1.00 0.00 H new ATOM 0 HA2 GLY A 72 14.426 -13.512 -3.189 1.00 0.00 H new ATOM 0 HA3 GLY A 72 13.488 -13.283 -4.652 1.00 0.00 H new ATOM 1125 N LYS A 73 15.027 -10.615 -3.563 1.00 0.00 N ATOM 1126 CA LYS A 73 16.000 -9.553 -3.825 1.00 0.00 C ATOM 1127 C LYS A 73 17.066 -9.536 -2.717 1.00 0.00 C ATOM 1128 O LYS A 73 17.151 -10.449 -1.899 1.00 0.00 O ATOM 1129 CB LYS A 73 15.211 -8.238 -3.920 1.00 0.00 C ATOM 1130 CG LYS A 73 15.333 -7.548 -5.283 1.00 0.00 C ATOM 1131 CD LYS A 73 16.691 -6.863 -5.464 1.00 0.00 C ATOM 1132 CE LYS A 73 16.804 -6.249 -6.859 1.00 0.00 C ATOM 1133 NZ LYS A 73 18.158 -5.741 -7.083 1.00 0.00 N ATOM 0 H LYS A 73 14.420 -10.422 -2.766 1.00 0.00 H new ATOM 0 HA LYS A 73 16.540 -9.711 -4.758 1.00 0.00 H new ATOM 0 HB2 LYS A 73 14.159 -8.439 -3.717 1.00 0.00 H new ATOM 0 HB3 LYS A 73 15.561 -7.557 -3.144 1.00 0.00 H new ATOM 0 HG2 LYS A 73 15.190 -8.283 -6.075 1.00 0.00 H new ATOM 0 HG3 LYS A 73 14.538 -6.809 -5.387 1.00 0.00 H new ATOM 0 HD2 LYS A 73 16.816 -6.087 -4.709 1.00 0.00 H new ATOM 0 HD3 LYS A 73 17.492 -7.587 -5.314 1.00 0.00 H new ATOM 0 HE2 LYS A 73 16.559 -6.997 -7.614 1.00 0.00 H new ATOM 0 HE3 LYS A 73 16.082 -5.439 -6.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 18.220 -5.327 -8.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 18.377 -5.013 -6.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 18.840 -6.522 -7.000 1.00 0.00 H new ATOM 1147 N SER A 74 17.833 -8.446 -2.685 1.00 0.00 N ATOM 1148 CA SER A 74 18.917 -8.222 -1.708 1.00 0.00 C ATOM 1149 C SER A 74 18.755 -6.915 -0.930 1.00 0.00 C ATOM 1150 O SER A 74 18.631 -6.930 0.284 1.00 0.00 O ATOM 1151 CB SER A 74 20.289 -8.249 -2.396 1.00 0.00 C ATOM 1152 OG SER A 74 20.974 -9.430 -2.019 1.00 0.00 O ATOM 0 H SER A 74 17.722 -7.677 -3.345 1.00 0.00 H new ATOM 0 HA SER A 74 18.853 -9.040 -0.990 1.00 0.00 H new ATOM 0 HB2 SER A 74 20.167 -8.214 -3.479 1.00 0.00 H new ATOM 0 HB3 SER A 74 20.869 -7.371 -2.112 1.00 0.00 H new ATOM 0 HG SER A 74 21.850 -9.454 -2.457 1.00 0.00 H new ATOM 1158 N ASP A 75 18.485 -5.843 -1.679 1.00 0.00 N ATOM 1159 CA ASP A 75 18.185 -4.516 -1.117 1.00 0.00 C ATOM 1160 C ASP A 75 16.733 -4.376 -0.620 1.00 0.00 C ATOM 1161 O ASP A 75 16.455 -3.617 0.302 1.00 0.00 O ATOM 1162 CB ASP A 75 18.492 -3.378 -2.089 1.00 0.00 C ATOM 1163 CG ASP A 75 19.977 -3.019 -2.158 1.00 0.00 C ATOM 1164 OD1 ASP A 75 20.658 -3.124 -1.116 1.00 0.00 O ATOM 1165 OD2 ASP A 75 20.413 -2.691 -3.280 1.00 0.00 O ATOM 0 H ASP A 75 18.467 -5.867 -2.699 1.00 0.00 H new ATOM 0 HA ASP A 75 18.850 -4.435 -0.257 1.00 0.00 H new ATOM 0 HB2 ASP A 75 18.147 -3.658 -3.084 1.00 0.00 H new ATOM 0 HB3 ASP A 75 17.926 -2.495 -1.792 1.00 0.00 H new ATOM 1170 N CYS A 76 15.841 -5.115 -1.255 1.00 0.00 N ATOM 1171 CA CYS A 76 14.429 -5.162 -0.848 1.00 0.00 C ATOM 1172 C CYS A 76 14.206 -6.031 0.397 1.00 0.00 C ATOM 1173 O CYS A 76 13.336 -5.743 1.213 1.00 0.00 O ATOM 1174 CB CYS A 76 13.606 -5.629 -2.046 1.00 0.00 C ATOM 1175 SG CYS A 76 11.855 -5.951 -1.688 1.00 0.00 S ATOM 0 H CYS A 76 16.062 -5.699 -2.062 1.00 0.00 H new ATOM 0 HA CYS A 76 14.102 -4.166 -0.551 1.00 0.00 H new ATOM 0 HB2 CYS A 76 13.669 -4.873 -2.829 1.00 0.00 H new ATOM 0 HB3 CYS A 76 14.054 -6.539 -2.444 1.00 0.00 H new ATOM 1180 N ASP A 77 15.043 -7.051 0.541 1.00 0.00 N ATOM 1181 CA ASP A 77 15.054 -7.900 1.748 1.00 0.00 C ATOM 1182 C ASP A 77 15.949 -7.301 2.862 1.00 0.00 C ATOM 1183 O ASP A 77 16.066 -7.903 3.922 1.00 0.00 O ATOM 1184 CB ASP A 77 15.524 -9.305 1.375 1.00 0.00 C ATOM 1185 CG ASP A 77 15.230 -10.309 2.494 1.00 0.00 C ATOM 1186 OD1 ASP A 77 14.059 -10.372 2.916 1.00 0.00 O ATOM 1187 OD2 ASP A 77 16.187 -11.035 2.864 1.00 0.00 O ATOM 0 H ASP A 77 15.731 -7.320 -0.163 1.00 0.00 H new ATOM 0 HA ASP A 77 14.040 -7.949 2.144 1.00 0.00 H new ATOM 0 HB2 ASP A 77 15.028 -9.624 0.458 1.00 0.00 H new ATOM 0 HB3 ASP A 77 16.594 -9.290 1.170 1.00 0.00 H new ATOM 1192 N ARG A 78 16.580 -6.168 2.579 1.00 0.00 N ATOM 1193 CA ARG A 78 17.466 -5.448 3.522 1.00 0.00 C ATOM 1194 C ARG A 78 16.671 -4.786 4.663 1.00 0.00 C ATOM 1195 O ARG A 78 15.452 -4.643 4.538 1.00 0.00 O ATOM 1196 CB ARG A 78 18.251 -4.386 2.747 1.00 0.00 C ATOM 1197 CG ARG A 78 19.722 -4.765 2.618 1.00 0.00 C ATOM 1198 CD ARG A 78 20.571 -3.560 3.005 1.00 0.00 C ATOM 1199 NE ARG A 78 21.676 -3.434 2.039 1.00 0.00 N ATOM 1200 CZ ARG A 78 22.375 -2.325 1.809 1.00 0.00 C ATOM 1201 NH1 ARG A 78 22.178 -1.205 2.481 1.00 0.00 N ATOM 1202 NH2 ARG A 78 23.310 -2.337 0.863 1.00 0.00 N ATOM 0 H ARG A 78 16.497 -5.705 1.674 1.00 0.00 H new ATOM 0 HA ARG A 78 18.146 -6.168 3.977 1.00 0.00 H new ATOM 0 HB2 ARG A 78 17.817 -4.263 1.755 1.00 0.00 H new ATOM 0 HB3 ARG A 78 18.164 -3.425 3.254 1.00 0.00 H new ATOM 0 HG2 ARG A 78 19.952 -5.613 3.263 1.00 0.00 H new ATOM 0 HG3 ARG A 78 19.945 -5.072 1.596 1.00 0.00 H new ATOM 0 HD2 ARG A 78 19.964 -2.654 3.006 1.00 0.00 H new ATOM 0 HD3 ARG A 78 20.963 -3.682 4.015 1.00 0.00 H new ATOM 0 HE ARG A 78 21.926 -4.265 1.502 1.00 0.00 H new ATOM 0 HH11 ARG A 78 21.466 -1.166 3.210 1.00 0.00 H new ATOM 0 HH12 ARG A 78 22.738 -0.379 2.271 1.00 0.00 H new ATOM 0 HH21 ARG A 78 23.482 -3.187 0.327 1.00 0.00 H new ATOM 0 HH22 ARG A 78 23.855 -1.496 0.674 1.00 0.00 H new ATOM 1216 N PRO A 79 17.327 -4.420 5.782 1.00 0.00 N ATOM 1217 CA PRO A 79 16.665 -3.710 6.884 1.00 0.00 C ATOM 1218 C PRO A 79 16.248 -2.274 6.502 1.00 0.00 C ATOM 1219 O PRO A 79 17.103 -1.461 6.147 1.00 0.00 O ATOM 1220 CB PRO A 79 17.663 -3.734 8.043 1.00 0.00 C ATOM 1221 CG PRO A 79 19.024 -3.854 7.356 1.00 0.00 C ATOM 1222 CD PRO A 79 18.713 -4.768 6.174 1.00 0.00 C ATOM 0 HA PRO A 79 15.727 -4.196 7.154 1.00 0.00 H new ATOM 0 HB2 PRO A 79 17.598 -2.827 8.645 1.00 0.00 H new ATOM 0 HB3 PRO A 79 17.478 -4.574 8.712 1.00 0.00 H new ATOM 0 HG2 PRO A 79 19.403 -2.885 7.032 1.00 0.00 H new ATOM 0 HG3 PRO A 79 19.776 -4.285 8.017 1.00 0.00 H new ATOM 0 HD2 PRO A 79 19.410 -4.603 5.352 1.00 0.00 H new ATOM 0 HD3 PRO A 79 18.793 -5.818 6.454 1.00 0.00 H new ATOM 1230 N PRO A 80 14.941 -1.985 6.500 1.00 0.00 N ATOM 1231 CA PRO A 80 14.397 -0.664 6.191 1.00 0.00 C ATOM 1232 C PRO A 80 14.629 0.291 7.351 1.00 0.00 C ATOM 1233 O PRO A 80 14.142 0.117 8.474 1.00 0.00 O ATOM 1234 CB PRO A 80 12.905 -0.889 5.900 1.00 0.00 C ATOM 1235 CG PRO A 80 12.552 -2.106 6.728 1.00 0.00 C ATOM 1236 CD PRO A 80 13.841 -2.942 6.703 1.00 0.00 C ATOM 0 HA PRO A 80 14.885 -0.202 5.333 1.00 0.00 H new ATOM 0 HB2 PRO A 80 12.307 -0.024 6.187 1.00 0.00 H new ATOM 0 HB3 PRO A 80 12.727 -1.062 4.839 1.00 0.00 H new ATOM 0 HG2 PRO A 80 12.271 -1.832 7.745 1.00 0.00 H new ATOM 0 HG3 PRO A 80 11.711 -2.652 6.301 1.00 0.00 H new ATOM 0 HD2 PRO A 80 13.968 -3.491 7.636 1.00 0.00 H new ATOM 0 HD3 PRO A 80 13.812 -3.679 5.901 1.00 0.00 H new ATOM 1244 N LYS A 81 15.464 1.264 7.035 1.00 0.00 N ATOM 1245 CA LYS A 81 15.845 2.300 8.006 1.00 0.00 C ATOM 1246 C LYS A 81 14.893 3.498 7.872 1.00 0.00 C ATOM 1247 O LYS A 81 15.081 4.395 7.042 1.00 0.00 O ATOM 1248 CB LYS A 81 17.319 2.668 7.789 1.00 0.00 C ATOM 1249 CG LYS A 81 17.985 2.795 9.152 1.00 0.00 C ATOM 1250 CD LYS A 81 19.459 2.400 9.116 1.00 0.00 C ATOM 1251 CE LYS A 81 20.400 3.570 8.833 1.00 0.00 C ATOM 1252 NZ LYS A 81 21.468 3.532 9.833 1.00 0.00 N ATOM 0 H LYS A 81 15.896 1.367 6.117 1.00 0.00 H new ATOM 0 HA LYS A 81 15.751 1.937 9.030 1.00 0.00 H new ATOM 0 HB2 LYS A 81 17.817 1.904 7.192 1.00 0.00 H new ATOM 0 HB3 LYS A 81 17.399 3.605 7.238 1.00 0.00 H new ATOM 0 HG2 LYS A 81 17.895 3.823 9.503 1.00 0.00 H new ATOM 0 HG3 LYS A 81 17.460 2.166 9.870 1.00 0.00 H new ATOM 0 HD2 LYS A 81 19.729 1.950 10.071 1.00 0.00 H new ATOM 0 HD3 LYS A 81 19.603 1.636 8.352 1.00 0.00 H new ATOM 0 HE2 LYS A 81 20.814 3.494 7.828 1.00 0.00 H new ATOM 0 HE3 LYS A 81 19.861 4.516 8.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 22.127 4.319 9.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 21.056 3.620 10.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 21.980 2.630 9.760 1.00 0.00 H new ATOM 1266 N HIS A 82 13.739 3.305 8.500 1.00 0.00 N ATOM 1267 CA HIS A 82 12.686 4.329 8.571 1.00 0.00 C ATOM 1268 C HIS A 82 13.036 5.348 9.663 1.00 0.00 C ATOM 1269 O HIS A 82 13.441 4.995 10.767 1.00 0.00 O ATOM 1270 CB HIS A 82 11.333 3.653 8.825 1.00 0.00 C ATOM 1271 CG HIS A 82 10.195 4.637 9.143 1.00 0.00 C ATOM 1272 ND1 HIS A 82 9.759 4.948 10.356 1.00 0.00 N ATOM 1273 CD2 HIS A 82 9.499 5.347 8.263 1.00 0.00 C ATOM 1274 CE1 HIS A 82 8.771 5.817 10.233 1.00 0.00 C ATOM 1275 NE2 HIS A 82 8.614 6.066 8.945 1.00 0.00 N ATOM 0 H HIS A 82 13.500 2.436 8.977 1.00 0.00 H new ATOM 0 HA HIS A 82 12.615 4.868 7.626 1.00 0.00 H new ATOM 0 HB2 HIS A 82 11.060 3.068 7.947 1.00 0.00 H new ATOM 0 HB3 HIS A 82 11.437 2.953 9.654 1.00 0.00 H new ATOM 0 HD2 HIS A 82 9.628 5.341 7.191 1.00 0.00 H new ATOM 0 HE1 HIS A 82 8.196 6.246 11.040 1.00 0.00 H new ATOM 0 HE2 HIS A 82 7.928 6.704 8.542 1.00 0.00 H new ATOM 1284 N SER A 83 12.857 6.603 9.289 1.00 0.00 N ATOM 1285 CA SER A 83 13.154 7.751 10.177 1.00 0.00 C ATOM 1286 C SER A 83 11.854 8.289 10.802 1.00 0.00 C ATOM 1287 O SER A 83 10.942 7.524 11.051 1.00 0.00 O ATOM 1288 CB SER A 83 13.962 8.790 9.375 1.00 0.00 C ATOM 1289 OG SER A 83 14.342 9.882 10.232 1.00 0.00 O ATOM 0 H SER A 83 12.505 6.871 8.370 1.00 0.00 H new ATOM 0 HA SER A 83 13.772 7.456 11.025 1.00 0.00 H new ATOM 0 HB2 SER A 83 14.851 8.323 8.950 1.00 0.00 H new ATOM 0 HB3 SER A 83 13.367 9.161 8.541 1.00 0.00 H new ATOM 0 HG SER A 83 14.857 10.538 9.717 1.00 0.00 H new ATOM 1295 N LYS A 84 11.776 9.574 11.123 1.00 0.00 N ATOM 1296 CA LYS A 84 10.540 10.185 11.657 1.00 0.00 C ATOM 1297 C LYS A 84 9.418 10.308 10.620 1.00 0.00 C ATOM 1298 O LYS A 84 8.302 9.857 10.821 1.00 0.00 O ATOM 1299 CB LYS A 84 10.861 11.557 12.275 1.00 0.00 C ATOM 1300 CG LYS A 84 11.217 11.513 13.767 1.00 0.00 C ATOM 1301 CD LYS A 84 12.708 11.280 14.105 1.00 0.00 C ATOM 1302 CE LYS A 84 13.075 9.813 14.325 1.00 0.00 C ATOM 1303 NZ LYS A 84 14.026 9.730 15.441 1.00 0.00 N ATOM 0 H LYS A 84 12.554 10.227 11.026 1.00 0.00 H new ATOM 0 HA LYS A 84 10.162 9.510 12.425 1.00 0.00 H new ATOM 0 HB2 LYS A 84 11.692 12.002 11.729 1.00 0.00 H new ATOM 0 HB3 LYS A 84 10.002 12.213 12.138 1.00 0.00 H new ATOM 0 HG2 LYS A 84 10.905 12.453 14.222 1.00 0.00 H new ATOM 0 HG3 LYS A 84 10.631 10.722 14.236 1.00 0.00 H new ATOM 0 HD2 LYS A 84 13.320 11.679 13.296 1.00 0.00 H new ATOM 0 HD3 LYS A 84 12.959 11.845 15.003 1.00 0.00 H new ATOM 0 HE2 LYS A 84 12.182 9.229 14.545 1.00 0.00 H new ATOM 0 HE3 LYS A 84 13.516 9.394 13.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 14.285 8.736 15.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 14.880 10.278 15.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 13.587 10.118 16.301 1.00 0.00 H new ATOM 1317 N ASP A 85 9.815 10.829 9.467 1.00 0.00 N ATOM 1318 CA ASP A 85 8.945 11.034 8.300 1.00 0.00 C ATOM 1319 C ASP A 85 9.400 10.228 7.072 1.00 0.00 C ATOM 1320 O ASP A 85 9.104 10.565 5.934 1.00 0.00 O ATOM 1321 CB ASP A 85 8.767 12.542 8.009 1.00 0.00 C ATOM 1322 CG ASP A 85 9.957 13.481 8.297 1.00 0.00 C ATOM 1323 OD1 ASP A 85 10.482 13.476 9.435 1.00 0.00 O ATOM 1324 OD2 ASP A 85 10.303 14.280 7.396 1.00 0.00 O ATOM 0 H ASP A 85 10.776 11.131 9.306 1.00 0.00 H new ATOM 0 HA ASP A 85 7.960 10.637 8.546 1.00 0.00 H new ATOM 0 HB2 ASP A 85 8.503 12.650 6.957 1.00 0.00 H new ATOM 0 HB3 ASP A 85 7.915 12.896 8.589 1.00 0.00 H new ATOM 1329 N GLY A 86 10.142 9.149 7.370 1.00 0.00 N ATOM 1330 CA GLY A 86 10.764 8.216 6.394 1.00 0.00 C ATOM 1331 C GLY A 86 11.162 8.903 5.079 1.00 0.00 C ATOM 1332 O GLY A 86 10.459 8.861 4.070 1.00 0.00 O ATOM 0 H GLY A 86 10.338 8.885 8.336 1.00 0.00 H new ATOM 0 HA2 GLY A 86 11.648 7.764 6.844 1.00 0.00 H new ATOM 0 HA3 GLY A 86 10.067 7.406 6.178 1.00 0.00 H new ATOM 1336 N ASN A 87 12.232 9.658 5.225 1.00 0.00 N ATOM 1337 CA ASN A 87 12.764 10.547 4.180 1.00 0.00 C ATOM 1338 C ASN A 87 14.280 10.724 4.356 1.00 0.00 C ATOM 1339 O ASN A 87 15.047 10.274 3.498 1.00 0.00 O ATOM 1340 CB ASN A 87 12.035 11.913 4.224 1.00 0.00 C ATOM 1341 CG ASN A 87 12.109 12.643 5.568 1.00 0.00 C ATOM 1342 OD1 ASN A 87 12.058 12.068 6.657 1.00 0.00 O ATOM 1343 ND2 ASN A 87 12.440 13.912 5.519 1.00 0.00 N ATOM 0 H ASN A 87 12.777 9.680 6.087 1.00 0.00 H new ATOM 0 HA ASN A 87 12.587 10.097 3.203 1.00 0.00 H new ATOM 0 HB2 ASN A 87 12.457 12.558 3.453 1.00 0.00 H new ATOM 0 HB3 ASN A 87 10.987 11.757 3.970 1.00 0.00 H new ATOM 0 HD21 ASN A 87 12.653 14.417 6.379 1.00 0.00 H new ATOM 0 HD22 ASN A 87 12.484 14.393 4.621 1.00 0.00 H new ATOM 1350 N GLY A 88 14.659 11.152 5.559 1.00 0.00 N ATOM 1351 CA GLY A 88 16.062 11.434 5.951 1.00 0.00 C ATOM 1352 C GLY A 88 16.827 12.137 4.829 1.00 0.00 C ATOM 1353 O GLY A 88 16.245 12.856 4.010 1.00 0.00 O ATOM 0 H GLY A 88 13.994 11.320 6.314 1.00 0.00 H new ATOM 0 HA2 GLY A 88 16.073 12.057 6.846 1.00 0.00 H new ATOM 0 HA3 GLY A 88 16.564 10.501 6.206 1.00 0.00 H new ATOM 1357 N LYS A 89 18.124 11.863 4.784 1.00 0.00 N ATOM 1358 CA LYS A 89 18.976 12.293 3.654 1.00 0.00 C ATOM 1359 C LYS A 89 18.856 11.310 2.486 1.00 0.00 C ATOM 1360 O LYS A 89 18.597 11.692 1.348 1.00 0.00 O ATOM 1361 CB LYS A 89 20.421 12.476 4.147 1.00 0.00 C ATOM 1362 CG LYS A 89 21.495 12.562 3.044 1.00 0.00 C ATOM 1363 CD LYS A 89 21.272 13.683 2.026 1.00 0.00 C ATOM 1364 CE LYS A 89 21.751 15.035 2.558 1.00 0.00 C ATOM 1365 NZ LYS A 89 20.754 16.070 2.229 1.00 0.00 N ATOM 0 H LYS A 89 18.620 11.346 5.510 1.00 0.00 H new ATOM 0 HA LYS A 89 18.638 13.257 3.273 1.00 0.00 H new ATOM 0 HB2 LYS A 89 20.469 13.384 4.747 1.00 0.00 H new ATOM 0 HB3 LYS A 89 20.669 11.644 4.807 1.00 0.00 H new ATOM 0 HG2 LYS A 89 22.469 12.703 3.513 1.00 0.00 H new ATOM 0 HG3 LYS A 89 21.531 11.610 2.515 1.00 0.00 H new ATOM 0 HD2 LYS A 89 21.802 13.447 1.103 1.00 0.00 H new ATOM 0 HD3 LYS A 89 20.212 13.744 1.779 1.00 0.00 H new ATOM 0 HE2 LYS A 89 21.896 14.983 3.637 1.00 0.00 H new ATOM 0 HE3 LYS A 89 22.715 15.290 2.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 21.077 16.990 2.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 20.637 16.124 1.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 19.843 15.827 2.668 1.00 0.00 H new ATOM 1379 N THR A 90 19.101 10.039 2.808 1.00 0.00 N ATOM 1380 CA THR A 90 19.132 8.928 1.840 1.00 0.00 C ATOM 1381 C THR A 90 18.462 7.679 2.425 1.00 0.00 C ATOM 1382 O THR A 90 19.004 6.577 2.433 1.00 0.00 O ATOM 1383 CB THR A 90 20.588 8.678 1.374 1.00 0.00 C ATOM 1384 OG1 THR A 90 20.600 7.693 0.346 1.00 0.00 O ATOM 1385 CG2 THR A 90 21.558 8.334 2.510 1.00 0.00 C ATOM 0 H THR A 90 19.288 9.741 3.766 1.00 0.00 H new ATOM 0 HA THR A 90 18.554 9.195 0.955 1.00 0.00 H new ATOM 0 HB THR A 90 20.961 9.621 0.974 1.00 0.00 H new ATOM 0 HG1 THR A 90 20.167 6.876 0.671 1.00 0.00 H new ATOM 0 HG21 THR A 90 22.555 8.174 2.101 1.00 0.00 H new ATOM 0 HG22 THR A 90 21.587 9.156 3.225 1.00 0.00 H new ATOM 0 HG23 THR A 90 21.222 7.427 3.013 1.00 0.00 H new ATOM 1393 N ASP A 91 17.318 7.906 3.097 1.00 0.00 N ATOM 1394 CA ASP A 91 16.542 6.804 3.715 1.00 0.00 C ATOM 1395 C ASP A 91 16.394 5.640 2.720 1.00 0.00 C ATOM 1396 O ASP A 91 16.380 5.831 1.508 1.00 0.00 O ATOM 1397 CB ASP A 91 15.152 7.300 4.108 1.00 0.00 C ATOM 1398 CG ASP A 91 14.751 6.979 5.553 1.00 0.00 C ATOM 1399 OD1 ASP A 91 15.636 7.103 6.424 1.00 0.00 O ATOM 1400 OD2 ASP A 91 13.530 6.831 5.784 1.00 0.00 O ATOM 0 H ASP A 91 16.910 8.832 3.228 1.00 0.00 H new ATOM 0 HA ASP A 91 17.074 6.461 4.603 1.00 0.00 H new ATOM 0 HB2 ASP A 91 15.110 8.380 3.963 1.00 0.00 H new ATOM 0 HB3 ASP A 91 14.418 6.859 3.433 1.00 0.00 H new ATOM 1405 N HIS A 92 16.523 4.436 3.243 1.00 0.00 N ATOM 1406 CA HIS A 92 16.456 3.244 2.383 1.00 0.00 C ATOM 1407 C HIS A 92 15.431 2.236 2.927 1.00 0.00 C ATOM 1408 O HIS A 92 15.658 1.052 3.156 1.00 0.00 O ATOM 1409 CB HIS A 92 17.858 2.663 2.153 1.00 0.00 C ATOM 1410 CG HIS A 92 18.464 1.905 3.338 1.00 0.00 C ATOM 1411 ND1 HIS A 92 18.404 0.582 3.476 1.00 0.00 N ATOM 1412 CD2 HIS A 92 19.056 2.405 4.418 1.00 0.00 C ATOM 1413 CE1 HIS A 92 18.973 0.260 4.623 1.00 0.00 C ATOM 1414 NE2 HIS A 92 19.372 1.392 5.210 1.00 0.00 N ATOM 0 H HIS A 92 16.672 4.247 4.234 1.00 0.00 H new ATOM 0 HA HIS A 92 16.090 3.525 1.395 1.00 0.00 H new ATOM 0 HB2 HIS A 92 17.816 1.989 1.297 1.00 0.00 H new ATOM 0 HB3 HIS A 92 18.530 3.478 1.885 1.00 0.00 H new ATOM 0 HD2 HIS A 92 19.245 3.450 4.614 1.00 0.00 H new ATOM 0 HE1 HIS A 92 19.094 -0.739 5.016 1.00 0.00 H new ATOM 0 HE2 HIS A 92 19.840 1.464 6.114 1.00 0.00 H new ATOM 1423 N TYR A 93 14.245 2.782 3.143 1.00 0.00 N ATOM 1424 CA TYR A 93 13.129 2.003 3.692 1.00 0.00 C ATOM 1425 C TYR A 93 12.276 1.380 2.586 1.00 0.00 C ATOM 1426 O TYR A 93 12.309 1.817 1.434 1.00 0.00 O ATOM 1427 CB TYR A 93 12.322 2.859 4.677 1.00 0.00 C ATOM 1428 CG TYR A 93 11.560 3.997 4.005 1.00 0.00 C ATOM 1429 CD1 TYR A 93 12.253 5.143 3.552 1.00 0.00 C ATOM 1430 CD2 TYR A 93 10.166 3.862 3.866 1.00 0.00 C ATOM 1431 CE1 TYR A 93 11.537 6.178 2.941 1.00 0.00 C ATOM 1432 CE2 TYR A 93 9.445 4.913 3.269 1.00 0.00 C ATOM 1433 CZ TYR A 93 10.137 6.041 2.794 1.00 0.00 C ATOM 1434 OH TYR A 93 9.477 6.956 2.041 1.00 0.00 O ATOM 0 H TYR A 93 14.023 3.759 2.950 1.00 0.00 H new ATOM 0 HA TYR A 93 13.529 1.160 4.255 1.00 0.00 H new ATOM 0 HB2 TYR A 93 11.615 2.221 5.207 1.00 0.00 H new ATOM 0 HB3 TYR A 93 12.998 3.275 5.424 1.00 0.00 H new ATOM 0 HD1 TYR A 93 13.323 5.219 3.676 1.00 0.00 H new ATOM 0 HD2 TYR A 93 9.661 2.972 4.210 1.00 0.00 H new ATOM 0 HE1 TYR A 93 12.043 7.064 2.588 1.00 0.00 H new ATOM 0 HE2 TYR A 93 8.371 4.854 3.177 1.00 0.00 H new ATOM 0 HH TYR A 93 9.669 7.856 2.378 1.00 0.00 H new ATOM 1444 N LEU A 94 11.531 0.351 2.970 1.00 0.00 N ATOM 1445 CA LEU A 94 10.536 -0.271 2.071 1.00 0.00 C ATOM 1446 C LEU A 94 9.189 0.417 2.264 1.00 0.00 C ATOM 1447 O LEU A 94 8.786 0.657 3.397 1.00 0.00 O ATOM 1448 CB LEU A 94 10.380 -1.774 2.322 1.00 0.00 C ATOM 1449 CG LEU A 94 11.187 -2.630 1.336 1.00 0.00 C ATOM 1450 CD1 LEU A 94 10.808 -4.086 1.513 1.00 0.00 C ATOM 1451 CD2 LEU A 94 10.841 -2.330 -0.120 1.00 0.00 C ATOM 0 H LEU A 94 11.588 -0.078 3.894 1.00 0.00 H new ATOM 0 HA LEU A 94 10.891 -0.147 1.048 1.00 0.00 H new ATOM 0 HB2 LEU A 94 10.698 -2.003 3.339 1.00 0.00 H new ATOM 0 HB3 LEU A 94 9.326 -2.042 2.250 1.00 0.00 H new ATOM 0 HG LEU A 94 12.236 -2.414 1.540 1.00 0.00 H new ATOM 0 HD11 LEU A 94 11.379 -4.698 0.815 1.00 0.00 H new ATOM 0 HD12 LEU A 94 11.029 -4.398 2.534 1.00 0.00 H new ATOM 0 HD13 LEU A 94 9.743 -4.211 1.318 1.00 0.00 H new ATOM 0 HD21 LEU A 94 11.440 -2.963 -0.774 1.00 0.00 H new ATOM 0 HD22 LEU A 94 9.783 -2.530 -0.291 1.00 0.00 H new ATOM 0 HD23 LEU A 94 11.052 -1.283 -0.336 1.00 0.00 H new ATOM 1463 N LEU A 95 8.695 0.973 1.168 1.00 0.00 N ATOM 1464 CA LEU A 95 7.394 1.664 1.125 1.00 0.00 C ATOM 1465 C LEU A 95 6.349 0.753 0.465 1.00 0.00 C ATOM 1466 O LEU A 95 6.673 -0.306 -0.087 1.00 0.00 O ATOM 1467 CB LEU A 95 7.401 2.988 0.339 1.00 0.00 C ATOM 1468 CG LEU A 95 8.740 3.704 0.180 1.00 0.00 C ATOM 1469 CD1 LEU A 95 9.629 3.046 -0.869 1.00 0.00 C ATOM 1470 CD2 LEU A 95 8.492 5.136 -0.274 1.00 0.00 C ATOM 0 H LEU A 95 9.181 0.963 0.271 1.00 0.00 H new ATOM 0 HA LEU A 95 7.158 1.895 2.164 1.00 0.00 H new ATOM 0 HB2 LEU A 95 7.004 2.790 -0.657 1.00 0.00 H new ATOM 0 HB3 LEU A 95 6.709 3.673 0.828 1.00 0.00 H new ATOM 0 HG LEU A 95 9.241 3.660 1.147 1.00 0.00 H new ATOM 0 HD11 LEU A 95 10.569 3.593 -0.944 1.00 0.00 H new ATOM 0 HD12 LEU A 95 9.831 2.015 -0.580 1.00 0.00 H new ATOM 0 HD13 LEU A 95 9.123 3.059 -1.835 1.00 0.00 H new ATOM 0 HD21 LEU A 95 9.445 5.652 -0.389 1.00 0.00 H new ATOM 0 HD22 LEU A 95 7.966 5.129 -1.229 1.00 0.00 H new ATOM 0 HD23 LEU A 95 7.887 5.654 0.470 1.00 0.00 H new ATOM 1482 N GLU A 96 5.092 1.187 0.565 1.00 0.00 N ATOM 1483 CA GLU A 96 3.964 0.508 -0.082 1.00 0.00 C ATOM 1484 C GLU A 96 2.855 1.449 -0.524 1.00 0.00 C ATOM 1485 O GLU A 96 2.595 2.486 0.097 1.00 0.00 O ATOM 1486 CB GLU A 96 3.387 -0.638 0.759 1.00 0.00 C ATOM 1487 CG GLU A 96 2.495 -0.305 1.950 1.00 0.00 C ATOM 1488 CD GLU A 96 3.259 0.080 3.212 1.00 0.00 C ATOM 1489 OE1 GLU A 96 3.990 1.085 3.158 1.00 0.00 O ATOM 1490 OE2 GLU A 96 2.994 -0.584 4.231 1.00 0.00 O ATOM 0 H GLU A 96 4.825 2.017 1.095 1.00 0.00 H new ATOM 0 HA GLU A 96 4.399 0.076 -0.983 1.00 0.00 H new ATOM 0 HB2 GLU A 96 2.816 -1.282 0.090 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.225 -1.228 1.130 1.00 0.00 H new ATOM 0 HG2 GLU A 96 1.832 0.515 1.675 1.00 0.00 H new ATOM 0 HG3 GLU A 96 1.863 -1.166 2.169 1.00 0.00 H new ATOM 1497 N PHE A 97 2.180 1.004 -1.574 1.00 0.00 N ATOM 1498 CA PHE A 97 1.102 1.779 -2.219 1.00 0.00 C ATOM 1499 C PHE A 97 -0.111 0.883 -2.548 1.00 0.00 C ATOM 1500 O PHE A 97 0.105 -0.198 -3.098 1.00 0.00 O ATOM 1501 CB PHE A 97 1.688 2.393 -3.491 1.00 0.00 C ATOM 1502 CG PHE A 97 0.762 3.431 -4.127 1.00 0.00 C ATOM 1503 CD1 PHE A 97 -0.264 3.029 -5.015 1.00 0.00 C ATOM 1504 CD2 PHE A 97 0.892 4.766 -3.697 1.00 0.00 C ATOM 1505 CE1 PHE A 97 -1.200 3.982 -5.469 1.00 0.00 C ATOM 1506 CE2 PHE A 97 -0.040 5.717 -4.169 1.00 0.00 C ATOM 1507 CZ PHE A 97 -1.070 5.317 -5.040 1.00 0.00 C ATOM 0 H PHE A 97 2.355 0.099 -2.010 1.00 0.00 H new ATOM 0 HA PHE A 97 0.740 2.557 -1.547 1.00 0.00 H new ATOM 0 HB2 PHE A 97 2.644 2.861 -3.256 1.00 0.00 H new ATOM 0 HB3 PHE A 97 1.889 1.601 -4.212 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -0.330 2.002 -5.342 1.00 0.00 H new ATOM 0 HD2 PHE A 97 1.685 5.055 -3.023 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -2.001 3.693 -6.133 1.00 0.00 H new ATOM 0 HE2 PHE A 97 0.038 6.749 -3.862 1.00 0.00 H new ATOM 0 HZ PHE A 97 -1.779 6.053 -5.389 1.00 0.00 H new ATOM 1517 N PRO A 98 -1.352 1.346 -2.284 1.00 0.00 N ATOM 1518 CA PRO A 98 -2.576 0.584 -2.564 1.00 0.00 C ATOM 1519 C PRO A 98 -2.802 0.493 -4.072 1.00 0.00 C ATOM 1520 O PRO A 98 -3.243 1.435 -4.734 1.00 0.00 O ATOM 1521 CB PRO A 98 -3.683 1.332 -1.809 1.00 0.00 C ATOM 1522 CG PRO A 98 -3.212 2.777 -1.783 1.00 0.00 C ATOM 1523 CD PRO A 98 -1.693 2.669 -1.728 1.00 0.00 C ATOM 0 HA PRO A 98 -2.537 -0.453 -2.230 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -4.644 1.236 -2.315 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -3.813 0.938 -0.801 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -3.542 3.320 -2.669 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -3.606 3.310 -0.917 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -1.225 3.466 -2.306 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -1.333 2.765 -0.704 1.00 0.00 H new ATOM 1531 N THR A 99 -2.213 -0.548 -4.635 1.00 0.00 N ATOM 1532 CA THR A 99 -2.301 -0.820 -6.079 1.00 0.00 C ATOM 1533 C THR A 99 -3.641 -1.469 -6.416 1.00 0.00 C ATOM 1534 O THR A 99 -4.058 -2.418 -5.754 1.00 0.00 O ATOM 1535 CB THR A 99 -1.096 -1.637 -6.588 1.00 0.00 C ATOM 1536 OG1 THR A 99 -1.165 -1.649 -8.017 1.00 0.00 O ATOM 1537 CG2 THR A 99 -0.996 -3.067 -6.025 1.00 0.00 C ATOM 0 H THR A 99 -1.661 -1.231 -4.117 1.00 0.00 H new ATOM 0 HA THR A 99 -2.256 0.131 -6.610 1.00 0.00 H new ATOM 0 HB THR A 99 -0.188 -1.153 -6.228 1.00 0.00 H new ATOM 0 HG1 THR A 99 -1.074 -2.569 -8.341 1.00 0.00 H new ATOM 0 HG21 THR A 99 -0.118 -3.561 -6.441 1.00 0.00 H new ATOM 0 HG22 THR A 99 -0.909 -3.025 -4.939 1.00 0.00 H new ATOM 0 HG23 THR A 99 -1.890 -3.628 -6.296 1.00 0.00 H new ATOM 1545 N PHE A 100 -4.392 -0.780 -7.261 1.00 0.00 N ATOM 1546 CA PHE A 100 -5.742 -1.184 -7.686 1.00 0.00 C ATOM 1547 C PHE A 100 -5.723 -2.035 -8.967 1.00 0.00 C ATOM 1548 O PHE A 100 -4.821 -1.842 -9.793 1.00 0.00 O ATOM 1549 CB PHE A 100 -6.621 0.072 -7.866 1.00 0.00 C ATOM 1550 CG PHE A 100 -7.008 0.691 -6.514 1.00 0.00 C ATOM 1551 CD1 PHE A 100 -6.019 1.331 -5.745 1.00 0.00 C ATOM 1552 CD2 PHE A 100 -8.328 0.568 -6.025 1.00 0.00 C ATOM 1553 CE1 PHE A 100 -6.330 1.831 -4.474 1.00 0.00 C ATOM 1554 CE2 PHE A 100 -8.659 1.108 -4.757 1.00 0.00 C ATOM 1555 CZ PHE A 100 -7.658 1.735 -3.996 1.00 0.00 C ATOM 0 H PHE A 100 -4.082 0.095 -7.685 1.00 0.00 H new ATOM 0 HA PHE A 100 -6.167 -1.815 -6.906 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -6.085 0.809 -8.464 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -7.523 -0.191 -8.418 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -5.018 1.437 -6.135 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -9.081 0.065 -6.614 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -5.563 2.286 -3.865 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -9.669 1.038 -4.380 1.00 0.00 H new ATOM 0 HZ PHE A 100 -7.906 2.150 -3.031 1.00 0.00 H new ATOM 1565 N PRO A 101 -6.713 -2.928 -9.179 1.00 0.00 N ATOM 1566 CA PRO A 101 -6.770 -3.769 -10.386 1.00 0.00 C ATOM 1567 C PRO A 101 -7.191 -3.000 -11.647 1.00 0.00 C ATOM 1568 O PRO A 101 -6.555 -3.138 -12.676 1.00 0.00 O ATOM 1569 CB PRO A 101 -7.750 -4.892 -10.041 1.00 0.00 C ATOM 1570 CG PRO A 101 -8.698 -4.251 -9.031 1.00 0.00 C ATOM 1571 CD PRO A 101 -7.832 -3.248 -8.269 1.00 0.00 C ATOM 0 HA PRO A 101 -5.781 -4.151 -10.639 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -8.284 -5.242 -10.924 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -7.236 -5.754 -9.616 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -9.532 -3.756 -9.529 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -9.125 -4.996 -8.360 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -8.399 -2.353 -8.013 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -7.469 -3.673 -7.333 1.00 0.00 H new ATOM 1579 N ASP A 102 -8.150 -2.071 -11.478 1.00 0.00 N ATOM 1580 CA ASP A 102 -8.606 -1.143 -12.530 1.00 0.00 C ATOM 1581 C ASP A 102 -7.421 -0.442 -13.225 1.00 0.00 C ATOM 1582 O ASP A 102 -7.478 -0.084 -14.394 1.00 0.00 O ATOM 1583 CB ASP A 102 -9.498 -0.078 -11.880 1.00 0.00 C ATOM 1584 CG ASP A 102 -10.671 0.352 -12.775 1.00 0.00 C ATOM 1585 OD1 ASP A 102 -10.443 1.178 -13.676 1.00 0.00 O ATOM 1586 OD2 ASP A 102 -11.789 -0.088 -12.431 1.00 0.00 O ATOM 0 H ASP A 102 -8.638 -1.942 -10.592 1.00 0.00 H new ATOM 0 HA ASP A 102 -9.150 -1.713 -13.283 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -9.889 -0.465 -10.939 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -8.893 0.796 -11.638 1.00 0.00 H new ATOM 1591 N GLY A 103 -6.363 -0.277 -12.424 1.00 0.00 N ATOM 1592 CA GLY A 103 -5.079 0.304 -12.826 1.00 0.00 C ATOM 1593 C GLY A 103 -5.052 1.821 -12.765 1.00 0.00 C ATOM 1594 O GLY A 103 -4.174 2.472 -13.343 1.00 0.00 O ATOM 0 H GLY A 103 -6.379 -0.555 -11.443 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -4.293 -0.091 -12.182 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -4.848 -0.015 -13.843 1.00 0.00 H new ATOM 1598 N HIS A 104 -5.990 2.320 -11.985 1.00 0.00 N ATOM 1599 CA HIS A 104 -6.041 3.736 -11.657 1.00 0.00 C ATOM 1600 C HIS A 104 -5.146 4.005 -10.443 1.00 0.00 C ATOM 1601 O HIS A 104 -4.996 3.171 -9.536 1.00 0.00 O ATOM 1602 CB HIS A 104 -7.491 4.196 -11.404 1.00 0.00 C ATOM 1603 CG HIS A 104 -8.186 3.597 -10.176 1.00 0.00 C ATOM 1604 ND1 HIS A 104 -9.215 2.757 -10.170 1.00 0.00 N ATOM 1605 CD2 HIS A 104 -7.927 3.904 -8.904 1.00 0.00 C ATOM 1606 CE1 HIS A 104 -9.566 2.516 -8.911 1.00 0.00 C ATOM 1607 NE2 HIS A 104 -8.754 3.225 -8.127 1.00 0.00 N ATOM 0 H HIS A 104 -6.733 1.764 -11.563 1.00 0.00 H new ATOM 0 HA HIS A 104 -5.669 4.314 -12.503 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -7.494 5.281 -11.304 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -8.085 3.956 -12.285 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -7.168 4.593 -8.565 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -10.363 1.865 -8.583 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -8.768 3.241 -7.107 1.00 0.00 H new ATOM 1616 N ASP A 105 -4.587 5.200 -10.469 1.00 0.00 N ATOM 1617 CA ASP A 105 -3.814 5.720 -9.344 1.00 0.00 C ATOM 1618 C ASP A 105 -4.789 6.383 -8.369 1.00 0.00 C ATOM 1619 O ASP A 105 -5.114 7.555 -8.516 1.00 0.00 O ATOM 1620 CB ASP A 105 -2.756 6.704 -9.871 1.00 0.00 C ATOM 1621 CG ASP A 105 -2.110 7.547 -8.768 1.00 0.00 C ATOM 1622 OD1 ASP A 105 -1.986 7.012 -7.634 1.00 0.00 O ATOM 1623 OD2 ASP A 105 -1.848 8.733 -9.046 1.00 0.00 O ATOM 0 H ASP A 105 -4.652 5.838 -11.262 1.00 0.00 H new ATOM 0 HA ASP A 105 -3.284 4.926 -8.818 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -1.979 6.146 -10.394 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -3.219 7.367 -10.602 1.00 0.00 H new ATOM 1628 N TYR A 106 -5.319 5.556 -7.468 1.00 0.00 N ATOM 1629 CA TYR A 106 -6.131 6.029 -6.342 1.00 0.00 C ATOM 1630 C TYR A 106 -5.594 7.363 -5.816 1.00 0.00 C ATOM 1631 O TYR A 106 -4.385 7.502 -5.657 1.00 0.00 O ATOM 1632 CB TYR A 106 -6.058 4.978 -5.242 1.00 0.00 C ATOM 1633 CG TYR A 106 -6.367 5.447 -3.822 1.00 0.00 C ATOM 1634 CD1 TYR A 106 -7.662 5.882 -3.456 1.00 0.00 C ATOM 1635 CD2 TYR A 106 -5.284 5.503 -2.930 1.00 0.00 C ATOM 1636 CE1 TYR A 106 -7.874 6.399 -2.165 1.00 0.00 C ATOM 1637 CE2 TYR A 106 -5.484 6.014 -1.635 1.00 0.00 C ATOM 1638 CZ TYR A 106 -6.773 6.442 -1.272 1.00 0.00 C ATOM 1639 OH TYR A 106 -6.930 6.895 -0.013 1.00 0.00 O ATOM 0 H TYR A 106 -5.200 4.543 -7.496 1.00 0.00 H new ATOM 0 HA TYR A 106 -7.161 6.182 -6.664 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -6.751 4.175 -5.493 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -5.056 4.549 -5.248 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -8.479 5.818 -4.160 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -4.307 5.157 -3.235 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -8.848 6.753 -1.862 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -4.665 6.076 -0.934 1.00 0.00 H new ATOM 0 HH TYR A 106 -7.649 6.396 0.427 1.00 0.00 H new ATOM 1649 N LYS A 107 -6.525 8.278 -5.602 1.00 0.00 N ATOM 1650 CA LYS A 107 -6.240 9.606 -5.037 1.00 0.00 C ATOM 1651 C LYS A 107 -5.625 9.490 -3.639 1.00 0.00 C ATOM 1652 O LYS A 107 -6.282 9.521 -2.598 1.00 0.00 O ATOM 1653 CB LYS A 107 -7.464 10.531 -5.082 1.00 0.00 C ATOM 1654 CG LYS A 107 -8.758 9.998 -4.459 1.00 0.00 C ATOM 1655 CD LYS A 107 -9.730 9.465 -5.523 1.00 0.00 C ATOM 1656 CE LYS A 107 -11.040 8.979 -4.909 1.00 0.00 C ATOM 1657 NZ LYS A 107 -11.974 10.079 -4.648 1.00 0.00 N ATOM 0 H LYS A 107 -7.511 8.128 -5.814 1.00 0.00 H new ATOM 0 HA LYS A 107 -5.492 10.083 -5.670 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -7.204 11.463 -4.579 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -7.665 10.777 -6.125 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -8.520 9.202 -3.754 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -9.242 10.793 -3.891 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -9.939 10.251 -6.249 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -9.259 8.646 -6.067 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -11.508 8.259 -5.580 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -10.829 8.455 -3.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -12.849 9.700 -4.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -11.539 10.754 -3.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -12.197 10.564 -5.541 1.00 0.00 H new ATOM 1671 N PHE A 108 -4.309 9.292 -3.662 1.00 0.00 N ATOM 1672 CA PHE A 108 -3.480 9.147 -2.459 1.00 0.00 C ATOM 1673 C PHE A 108 -3.031 10.498 -1.863 1.00 0.00 C ATOM 1674 O PHE A 108 -2.377 10.603 -0.838 1.00 0.00 O ATOM 1675 CB PHE A 108 -2.292 8.228 -2.739 1.00 0.00 C ATOM 1676 CG PHE A 108 -1.308 8.850 -3.725 1.00 0.00 C ATOM 1677 CD1 PHE A 108 -1.522 8.697 -5.114 1.00 0.00 C ATOM 1678 CD2 PHE A 108 -0.289 9.687 -3.239 1.00 0.00 C ATOM 1679 CE1 PHE A 108 -0.719 9.399 -6.033 1.00 0.00 C ATOM 1680 CE2 PHE A 108 0.490 10.418 -4.144 1.00 0.00 C ATOM 1681 CZ PHE A 108 0.283 10.257 -5.537 1.00 0.00 C ATOM 0 H PHE A 108 -3.776 9.226 -4.529 1.00 0.00 H new ATOM 0 HA PHE A 108 -4.105 8.685 -1.695 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -1.777 8.006 -1.804 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -2.653 7.280 -3.137 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -2.302 8.041 -5.471 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -0.108 9.766 -2.177 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -0.868 9.282 -7.096 1.00 0.00 H new ATOM 0 HE2 PHE A 108 1.245 11.101 -3.783 1.00 0.00 H new ATOM 0 HZ PHE A 108 0.905 10.802 -6.231 1.00 0.00 H new ATOM 1691 N ASP A 109 -3.250 11.517 -2.670 1.00 0.00 N ATOM 1692 CA ASP A 109 -3.023 12.917 -2.292 1.00 0.00 C ATOM 1693 C ASP A 109 -4.248 13.573 -1.634 1.00 0.00 C ATOM 1694 O ASP A 109 -4.137 14.652 -1.063 1.00 0.00 O ATOM 1695 CB ASP A 109 -2.538 13.724 -3.505 1.00 0.00 C ATOM 1696 CG ASP A 109 -3.410 13.581 -4.762 1.00 0.00 C ATOM 1697 OD1 ASP A 109 -4.629 13.317 -4.604 1.00 0.00 O ATOM 1698 OD2 ASP A 109 -2.810 13.568 -5.851 1.00 0.00 O ATOM 0 H ASP A 109 -3.596 11.405 -3.623 1.00 0.00 H new ATOM 0 HA ASP A 109 -2.242 12.919 -1.531 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -2.493 14.777 -3.229 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -1.521 13.414 -3.747 1.00 0.00 H new ATOM 1703 N SER A 110 -5.382 12.862 -1.670 1.00 0.00 N ATOM 1704 CA SER A 110 -6.658 13.370 -1.138 1.00 0.00 C ATOM 1705 C SER A 110 -6.791 12.979 0.337 1.00 0.00 C ATOM 1706 O SER A 110 -6.964 11.806 0.657 1.00 0.00 O ATOM 1707 CB SER A 110 -7.824 12.765 -1.912 1.00 0.00 C ATOM 1708 OG SER A 110 -8.799 13.787 -2.125 1.00 0.00 O ATOM 0 H SER A 110 -5.444 11.924 -2.066 1.00 0.00 H new ATOM 0 HA SER A 110 -6.674 14.455 -1.240 1.00 0.00 H new ATOM 0 HB2 SER A 110 -7.480 12.364 -2.865 1.00 0.00 H new ATOM 0 HB3 SER A 110 -8.259 11.935 -1.356 1.00 0.00 H new ATOM 0 HG SER A 110 -9.557 13.417 -2.624 1.00 0.00 H new ATOM 1714 N LYS A 111 -6.361 13.924 1.181 1.00 0.00 N ATOM 1715 CA LYS A 111 -6.393 13.739 2.638 1.00 0.00 C ATOM 1716 C LYS A 111 -7.814 13.504 3.152 1.00 0.00 C ATOM 1717 O LYS A 111 -8.135 12.438 3.678 1.00 0.00 O ATOM 1718 CB LYS A 111 -5.739 14.929 3.369 1.00 0.00 C ATOM 1719 CG LYS A 111 -5.397 14.520 4.811 1.00 0.00 C ATOM 1720 CD LYS A 111 -4.949 15.707 5.647 1.00 0.00 C ATOM 1721 CE LYS A 111 -4.584 15.238 7.054 1.00 0.00 C ATOM 1722 NZ LYS A 111 -3.937 16.361 7.766 1.00 0.00 N ATOM 0 H LYS A 111 -5.987 14.824 0.881 1.00 0.00 H new ATOM 0 HA LYS A 111 -5.811 12.844 2.857 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -4.836 15.240 2.844 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -6.416 15.783 3.373 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -6.269 14.059 5.274 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -4.608 13.768 4.797 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -4.090 16.189 5.180 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -5.745 16.450 5.696 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -5.476 14.913 7.589 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -3.912 14.381 7.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -3.681 16.060 8.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -3.079 16.649 7.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -4.595 17.164 7.818 1.00 0.00 H new ATOM 1736 N LYS A 112 -8.612 14.548 2.999 1.00 0.00 N ATOM 1737 CA LYS A 112 -10.026 14.497 3.382 1.00 0.00 C ATOM 1738 C LYS A 112 -10.884 15.069 2.229 1.00 0.00 C ATOM 1739 O LYS A 112 -10.641 16.190 1.796 1.00 0.00 O ATOM 1740 CB LYS A 112 -10.228 15.193 4.724 1.00 0.00 C ATOM 1741 CG LYS A 112 -11.449 14.637 5.461 1.00 0.00 C ATOM 1742 CD LYS A 112 -12.756 15.231 4.932 1.00 0.00 C ATOM 1743 CE LYS A 112 -13.988 14.431 5.384 1.00 0.00 C ATOM 1744 NZ LYS A 112 -14.081 14.485 6.848 1.00 0.00 N ATOM 0 H LYS A 112 -8.312 15.443 2.613 1.00 0.00 H new ATOM 0 HA LYS A 112 -10.357 13.470 3.533 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -9.338 15.064 5.341 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -10.353 16.264 4.565 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -11.474 13.553 5.355 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -11.358 14.851 6.526 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -12.849 16.261 5.276 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -12.724 15.260 3.843 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -14.891 14.843 4.934 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -13.909 13.397 5.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -14.981 14.064 7.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -13.290 13.954 7.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -14.037 15.475 7.162 1.00 0.00 H new ATOM 1758 N PRO A 113 -11.796 14.228 1.708 1.00 0.00 N ATOM 1759 CA PRO A 113 -11.987 12.823 2.125 1.00 0.00 C ATOM 1760 C PRO A 113 -10.932 11.889 1.514 1.00 0.00 C ATOM 1761 O PRO A 113 -10.033 12.331 0.800 1.00 0.00 O ATOM 1762 CB PRO A 113 -13.417 12.478 1.702 1.00 0.00 C ATOM 1763 CG PRO A 113 -13.646 13.365 0.471 1.00 0.00 C ATOM 1764 CD PRO A 113 -12.844 14.630 0.742 1.00 0.00 C ATOM 0 HA PRO A 113 -11.854 12.692 3.199 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -13.521 11.420 1.460 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -14.134 12.696 2.494 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -13.308 12.871 -0.440 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -14.704 13.590 0.338 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -12.404 15.021 -0.175 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -13.477 15.417 1.153 1.00 0.00 H new ATOM 1772 N LYS A 114 -11.024 10.632 1.914 1.00 0.00 N ATOM 1773 CA LYS A 114 -10.051 9.599 1.530 1.00 0.00 C ATOM 1774 C LYS A 114 -10.754 8.244 1.574 1.00 0.00 C ATOM 1775 O LYS A 114 -11.241 7.802 2.616 1.00 0.00 O ATOM 1776 CB LYS A 114 -8.890 9.652 2.529 1.00 0.00 C ATOM 1777 CG LYS A 114 -7.828 8.603 2.245 1.00 0.00 C ATOM 1778 CD LYS A 114 -7.442 7.846 3.506 1.00 0.00 C ATOM 1779 CE LYS A 114 -6.476 6.711 3.174 1.00 0.00 C ATOM 1780 NZ LYS A 114 -7.059 5.423 3.564 1.00 0.00 N ATOM 0 H LYS A 114 -11.773 10.289 2.515 1.00 0.00 H new ATOM 0 HA LYS A 114 -9.662 9.759 0.525 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -8.435 10.642 2.500 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -9.277 9.509 3.538 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -8.198 7.902 1.497 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -6.945 9.083 1.822 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -6.979 8.528 4.219 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -8.335 7.443 3.983 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -6.256 6.711 2.106 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -5.531 6.864 3.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -6.362 4.666 3.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -7.325 5.453 4.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -7.904 5.236 2.987 1.00 0.00 H new ATOM 1794 N GLU A 115 -10.938 7.682 0.380 1.00 0.00 N ATOM 1795 CA GLU A 115 -11.499 6.329 0.241 1.00 0.00 C ATOM 1796 C GLU A 115 -10.549 5.325 0.904 1.00 0.00 C ATOM 1797 O GLU A 115 -9.329 5.413 0.764 1.00 0.00 O ATOM 1798 CB GLU A 115 -11.700 5.980 -1.239 1.00 0.00 C ATOM 1799 CG GLU A 115 -12.379 4.620 -1.423 1.00 0.00 C ATOM 1800 CD GLU A 115 -12.478 4.214 -2.899 1.00 0.00 C ATOM 1801 OE1 GLU A 115 -13.238 4.904 -3.620 1.00 0.00 O ATOM 1802 OE2 GLU A 115 -11.831 3.218 -3.257 1.00 0.00 O ATOM 0 H GLU A 115 -10.710 8.136 -0.504 1.00 0.00 H new ATOM 0 HA GLU A 115 -12.472 6.287 0.731 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -12.303 6.753 -1.715 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -10.734 5.974 -1.744 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -11.820 3.860 -0.876 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -13.379 4.654 -0.990 1.00 0.00 H new ATOM 1809 N ASN A 116 -11.173 4.380 1.603 1.00 0.00 N ATOM 1810 CA ASN A 116 -10.467 3.263 2.250 1.00 0.00 C ATOM 1811 C ASN A 116 -9.514 2.574 1.259 1.00 0.00 C ATOM 1812 O ASN A 116 -9.849 2.466 0.078 1.00 0.00 O ATOM 1813 CB ASN A 116 -11.488 2.244 2.766 1.00 0.00 C ATOM 1814 CG ASN A 116 -10.951 1.601 4.052 1.00 0.00 C ATOM 1815 OD1 ASN A 116 -10.430 0.494 4.092 1.00 0.00 O ATOM 1816 ND2 ASN A 116 -10.981 2.368 5.122 1.00 0.00 N ATOM 0 H ASN A 116 -12.184 4.362 1.740 1.00 0.00 H new ATOM 0 HA ASN A 116 -9.882 3.657 3.081 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -12.442 2.734 2.961 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -11.670 1.479 2.011 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -10.567 2.041 5.995 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -11.418 3.289 5.077 1.00 0.00 H new ATOM 1823 N PRO A 117 -8.289 2.248 1.700 1.00 0.00 N ATOM 1824 CA PRO A 117 -7.286 1.628 0.824 1.00 0.00 C ATOM 1825 C PRO A 117 -7.686 0.176 0.481 1.00 0.00 C ATOM 1826 O PRO A 117 -8.775 -0.277 0.817 1.00 0.00 O ATOM 1827 CB PRO A 117 -5.987 1.731 1.622 1.00 0.00 C ATOM 1828 CG PRO A 117 -6.428 1.680 3.076 1.00 0.00 C ATOM 1829 CD PRO A 117 -7.770 2.415 3.072 1.00 0.00 C ATOM 0 HA PRO A 117 -7.187 2.115 -0.146 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -5.309 0.911 1.384 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -5.457 2.657 1.400 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -6.534 0.653 3.427 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -5.706 2.168 3.731 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -8.454 1.992 3.808 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -7.644 3.469 3.322 1.00 0.00 H new ATOM 1837 N GLY A 118 -6.760 -0.514 -0.162 1.00 0.00 N ATOM 1838 CA GLY A 118 -6.947 -1.907 -0.625 1.00 0.00 C ATOM 1839 C GLY A 118 -6.097 -2.892 0.194 1.00 0.00 C ATOM 1840 O GLY A 118 -5.170 -2.459 0.882 1.00 0.00 O ATOM 0 H GLY A 118 -5.841 -0.132 -0.387 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -7.999 -2.180 -0.546 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -6.677 -1.981 -1.679 1.00 0.00 H new ATOM 1844 N PRO A 119 -6.386 -4.199 0.085 1.00 0.00 N ATOM 1845 CA PRO A 119 -5.573 -5.244 0.737 1.00 0.00 C ATOM 1846 C PRO A 119 -4.209 -5.406 0.055 1.00 0.00 C ATOM 1847 O PRO A 119 -3.206 -5.533 0.732 1.00 0.00 O ATOM 1848 CB PRO A 119 -6.400 -6.521 0.671 1.00 0.00 C ATOM 1849 CG PRO A 119 -7.352 -6.315 -0.494 1.00 0.00 C ATOM 1850 CD PRO A 119 -7.556 -4.800 -0.594 1.00 0.00 C ATOM 0 HA PRO A 119 -5.346 -4.982 1.770 1.00 0.00 H new ATOM 0 HB2 PRO A 119 -5.766 -7.394 0.513 1.00 0.00 H new ATOM 0 HB3 PRO A 119 -6.944 -6.687 1.601 1.00 0.00 H new ATOM 0 HG2 PRO A 119 -6.935 -6.716 -1.417 1.00 0.00 H new ATOM 0 HG3 PRO A 119 -8.298 -6.828 -0.323 1.00 0.00 H new ATOM 0 HD2 PRO A 119 -7.614 -4.479 -1.634 1.00 0.00 H new ATOM 0 HD3 PRO A 119 -8.487 -4.497 -0.115 1.00 0.00 H new ATOM 1858 N ALA A 120 -4.213 -5.423 -1.283 1.00 0.00 N ATOM 1859 CA ALA A 120 -2.956 -5.453 -2.046 1.00 0.00 C ATOM 1860 C ALA A 120 -2.254 -4.102 -2.114 1.00 0.00 C ATOM 1861 O ALA A 120 -2.849 -3.032 -2.230 1.00 0.00 O ATOM 1862 CB ALA A 120 -3.138 -6.012 -3.438 1.00 0.00 C ATOM 0 H ALA A 120 -5.058 -5.417 -1.854 1.00 0.00 H new ATOM 0 HA ALA A 120 -2.310 -6.128 -1.484 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -2.180 -6.012 -3.958 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -3.516 -7.032 -3.374 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -3.849 -5.396 -3.988 1.00 0.00 H new ATOM 1868 N ARG A 121 -0.948 -4.254 -1.993 1.00 0.00 N ATOM 1869 CA ARG A 121 0.007 -3.138 -1.977 1.00 0.00 C ATOM 1870 C ARG A 121 1.307 -3.494 -2.687 1.00 0.00 C ATOM 1871 O ARG A 121 1.920 -4.527 -2.449 1.00 0.00 O ATOM 1872 CB ARG A 121 0.271 -2.717 -0.535 1.00 0.00 C ATOM 1873 CG ARG A 121 -0.462 -1.415 -0.202 1.00 0.00 C ATOM 1874 CD ARG A 121 -1.402 -1.470 1.009 1.00 0.00 C ATOM 1875 NE ARG A 121 -0.646 -1.834 2.220 1.00 0.00 N ATOM 1876 CZ ARG A 121 -0.540 -3.055 2.738 1.00 0.00 C ATOM 1877 NH1 ARG A 121 -1.151 -4.099 2.179 1.00 0.00 N ATOM 1878 NH2 ARG A 121 0.202 -3.274 3.803 1.00 0.00 N ATOM 0 H ARG A 121 -0.504 -5.168 -1.901 1.00 0.00 H new ATOM 0 HA ARG A 121 -0.431 -2.302 -2.523 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -0.054 -3.506 0.143 1.00 0.00 H new ATOM 0 HB3 ARG A 121 1.342 -2.586 -0.381 1.00 0.00 H new ATOM 0 HG2 ARG A 121 0.281 -0.636 -0.027 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -1.041 -1.113 -1.074 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -1.884 -0.503 1.149 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -2.193 -2.198 0.832 1.00 0.00 H new ATOM 0 HE ARG A 121 -0.159 -1.081 2.706 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -1.713 -3.970 1.338 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -1.056 -5.027 2.592 1.00 0.00 H new ATOM 0 HH21 ARG A 121 0.705 -2.503 4.242 1.00 0.00 H new ATOM 0 HH22 ARG A 121 0.274 -4.215 4.190 1.00 0.00 H new ATOM 1892 N VAL A 122 1.688 -2.551 -3.540 1.00 0.00 N ATOM 1893 CA VAL A 122 2.948 -2.614 -4.286 1.00 0.00 C ATOM 1894 C VAL A 122 4.106 -2.180 -3.382 1.00 0.00 C ATOM 1895 O VAL A 122 4.042 -1.120 -2.756 1.00 0.00 O ATOM 1896 CB VAL A 122 2.881 -1.826 -5.604 1.00 0.00 C ATOM 1897 CG1 VAL A 122 2.638 -0.317 -5.450 1.00 0.00 C ATOM 1898 CG2 VAL A 122 4.145 -2.028 -6.432 1.00 0.00 C ATOM 0 H VAL A 122 1.134 -1.718 -3.737 1.00 0.00 H new ATOM 0 HA VAL A 122 3.129 -3.647 -4.583 1.00 0.00 H new ATOM 0 HB VAL A 122 2.008 -2.238 -6.110 1.00 0.00 H new ATOM 0 HG11 VAL A 122 2.607 0.149 -6.435 1.00 0.00 H new ATOM 0 HG12 VAL A 122 1.689 -0.151 -4.940 1.00 0.00 H new ATOM 0 HG13 VAL A 122 3.445 0.124 -4.865 1.00 0.00 H new ATOM 0 HG21 VAL A 122 4.068 -1.458 -7.358 1.00 0.00 H new ATOM 0 HG22 VAL A 122 5.010 -1.684 -5.865 1.00 0.00 H new ATOM 0 HG23 VAL A 122 4.262 -3.086 -6.666 1.00 0.00 H new ATOM 1908 N ILE A 123 5.066 -3.080 -3.270 1.00 0.00 N ATOM 1909 CA ILE A 123 6.263 -2.873 -2.434 1.00 0.00 C ATOM 1910 C ILE A 123 7.448 -2.575 -3.329 1.00 0.00 C ATOM 1911 O ILE A 123 7.590 -3.137 -4.424 1.00 0.00 O ATOM 1912 CB ILE A 123 6.553 -4.098 -1.543 1.00 0.00 C ATOM 1913 CG1 ILE A 123 5.303 -4.652 -0.887 1.00 0.00 C ATOM 1914 CG2 ILE A 123 7.642 -3.802 -0.505 1.00 0.00 C ATOM 1915 CD1 ILE A 123 4.422 -3.616 -0.188 1.00 0.00 C ATOM 0 H ILE A 123 5.050 -3.979 -3.751 1.00 0.00 H new ATOM 0 HA ILE A 123 6.081 -2.028 -1.770 1.00 0.00 H new ATOM 0 HB ILE A 123 6.930 -4.875 -2.208 1.00 0.00 H new ATOM 0 HG12 ILE A 123 4.708 -5.159 -1.646 1.00 0.00 H new ATOM 0 HG13 ILE A 123 5.598 -5.406 -0.157 1.00 0.00 H new ATOM 0 HG21 ILE A 123 7.817 -4.690 0.102 1.00 0.00 H new ATOM 0 HG22 ILE A 123 8.564 -3.524 -1.015 1.00 0.00 H new ATOM 0 HG23 ILE A 123 7.320 -2.981 0.136 1.00 0.00 H new ATOM 0 HD11 ILE A 123 3.555 -4.111 0.249 1.00 0.00 H new ATOM 0 HD12 ILE A 123 4.994 -3.124 0.599 1.00 0.00 H new ATOM 0 HD13 ILE A 123 4.089 -2.873 -0.913 1.00 0.00 H new ATOM 1927 N TYR A 124 8.302 -1.722 -2.789 1.00 0.00 N ATOM 1928 CA TYR A 124 9.454 -1.162 -3.510 1.00 0.00 C ATOM 1929 C TYR A 124 10.321 -0.316 -2.574 1.00 0.00 C ATOM 1930 O TYR A 124 9.842 0.168 -1.554 1.00 0.00 O ATOM 1931 CB TYR A 124 8.946 -0.288 -4.679 1.00 0.00 C ATOM 1932 CG TYR A 124 7.982 0.829 -4.254 1.00 0.00 C ATOM 1933 CD1 TYR A 124 6.621 0.561 -3.991 1.00 0.00 C ATOM 1934 CD2 TYR A 124 8.518 2.125 -4.098 1.00 0.00 C ATOM 1935 CE1 TYR A 124 5.780 1.590 -3.545 1.00 0.00 C ATOM 1936 CE2 TYR A 124 7.681 3.166 -3.671 1.00 0.00 C ATOM 1937 CZ TYR A 124 6.327 2.885 -3.398 1.00 0.00 C ATOM 1938 OH TYR A 124 5.568 3.884 -2.897 1.00 0.00 O ATOM 0 H TYR A 124 8.222 -1.389 -1.828 1.00 0.00 H new ATOM 0 HA TYR A 124 10.061 -1.982 -3.894 1.00 0.00 H new ATOM 0 HB2 TYR A 124 9.803 0.159 -5.184 1.00 0.00 H new ATOM 0 HB3 TYR A 124 8.446 -0.928 -5.406 1.00 0.00 H new ATOM 0 HD1 TYR A 124 6.229 -0.435 -4.133 1.00 0.00 H new ATOM 0 HD2 TYR A 124 9.561 2.313 -4.305 1.00 0.00 H new ATOM 0 HE1 TYR A 124 4.741 1.398 -3.320 1.00 0.00 H new ATOM 0 HE2 TYR A 124 8.068 4.167 -3.553 1.00 0.00 H new ATOM 0 HH TYR A 124 6.096 4.709 -2.861 1.00 0.00 H new ATOM 1948 N THR A 125 11.629 -0.447 -2.799 1.00 0.00 N ATOM 1949 CA THR A 125 12.655 0.285 -2.012 1.00 0.00 C ATOM 1950 C THR A 125 12.591 1.791 -2.330 1.00 0.00 C ATOM 1951 O THR A 125 11.709 2.227 -3.060 1.00 0.00 O ATOM 1952 CB THR A 125 14.059 -0.288 -2.284 1.00 0.00 C ATOM 1953 OG1 THR A 125 14.434 0.126 -3.596 1.00 0.00 O ATOM 1954 CG2 THR A 125 14.132 -1.805 -2.233 1.00 0.00 C ATOM 0 H THR A 125 12.017 -1.054 -3.521 1.00 0.00 H new ATOM 0 HA THR A 125 12.446 0.154 -0.950 1.00 0.00 H new ATOM 0 HB THR A 125 14.721 0.082 -1.501 1.00 0.00 H new ATOM 0 HG1 THR A 125 15.249 -0.346 -3.868 1.00 0.00 H new ATOM 0 HG21 THR A 125 15.154 -2.127 -2.435 1.00 0.00 H new ATOM 0 HG22 THR A 125 13.831 -2.151 -1.244 1.00 0.00 H new ATOM 0 HG23 THR A 125 13.463 -2.227 -2.983 1.00 0.00 H new ATOM 1962 N TYR A 126 13.619 2.550 -1.955 1.00 0.00 N ATOM 1963 CA TYR A 126 13.700 4.009 -2.162 1.00 0.00 C ATOM 1964 C TYR A 126 15.136 4.532 -1.972 1.00 0.00 C ATOM 1965 O TYR A 126 15.882 3.919 -1.203 1.00 0.00 O ATOM 1966 CB TYR A 126 12.694 4.683 -1.202 1.00 0.00 C ATOM 1967 CG TYR A 126 13.009 6.109 -0.784 1.00 0.00 C ATOM 1968 CD1 TYR A 126 12.714 7.213 -1.609 1.00 0.00 C ATOM 1969 CD2 TYR A 126 13.724 6.276 0.414 1.00 0.00 C ATOM 1970 CE1 TYR A 126 13.166 8.497 -1.265 1.00 0.00 C ATOM 1971 CE2 TYR A 126 14.171 7.561 0.776 1.00 0.00 C ATOM 1972 CZ TYR A 126 13.887 8.657 -0.070 1.00 0.00 C ATOM 1973 OH TYR A 126 14.243 9.893 0.349 1.00 0.00 O ATOM 0 H TYR A 126 14.441 2.167 -1.488 1.00 0.00 H new ATOM 0 HA TYR A 126 13.437 4.256 -3.190 1.00 0.00 H new ATOM 0 HB2 TYR A 126 11.712 4.675 -1.676 1.00 0.00 H new ATOM 0 HB3 TYR A 126 12.619 4.072 -0.302 1.00 0.00 H new ATOM 0 HD1 TYR A 126 12.137 7.071 -2.511 1.00 0.00 H new ATOM 0 HD2 TYR A 126 13.928 5.428 1.050 1.00 0.00 H new ATOM 0 HE1 TYR A 126 12.964 9.343 -1.905 1.00 0.00 H new ATOM 0 HE2 TYR A 126 14.725 7.708 1.691 1.00 0.00 H new ATOM 0 HH TYR A 126 14.424 9.872 1.312 1.00 0.00 H new ATOM 1983 N PRO A 127 15.563 5.504 -2.802 1.00 0.00 N ATOM 1984 CA PRO A 127 14.844 6.039 -3.984 1.00 0.00 C ATOM 1985 C PRO A 127 14.881 5.152 -5.220 1.00 0.00 C ATOM 1986 O PRO A 127 14.134 5.392 -6.168 1.00 0.00 O ATOM 1987 CB PRO A 127 15.460 7.425 -4.236 1.00 0.00 C ATOM 1988 CG PRO A 127 16.877 7.297 -3.701 1.00 0.00 C ATOM 1989 CD PRO A 127 16.784 6.299 -2.539 1.00 0.00 C ATOM 0 HA PRO A 127 13.776 6.088 -3.773 1.00 0.00 H new ATOM 0 HB2 PRO A 127 15.454 7.678 -5.296 1.00 0.00 H new ATOM 0 HB3 PRO A 127 14.907 8.208 -3.718 1.00 0.00 H new ATOM 0 HG2 PRO A 127 17.558 6.939 -4.473 1.00 0.00 H new ATOM 0 HG3 PRO A 127 17.258 8.260 -3.362 1.00 0.00 H new ATOM 0 HD2 PRO A 127 17.667 5.661 -2.497 1.00 0.00 H new ATOM 0 HD3 PRO A 127 16.718 6.816 -1.581 1.00 0.00 H new ATOM 1997 N ASN A 128 15.531 3.992 -5.054 1.00 0.00 N ATOM 1998 CA ASN A 128 15.602 2.935 -6.065 1.00 0.00 C ATOM 1999 C ASN A 128 14.217 2.609 -6.646 1.00 0.00 C ATOM 2000 O ASN A 128 14.068 2.547 -7.858 1.00 0.00 O ATOM 2001 CB ASN A 128 16.173 1.664 -5.422 1.00 0.00 C ATOM 2002 CG ASN A 128 17.609 1.404 -5.844 1.00 0.00 C ATOM 2003 OD1 ASN A 128 17.885 0.810 -6.874 1.00 0.00 O ATOM 2004 ND2 ASN A 128 18.536 1.811 -5.021 1.00 0.00 N ATOM 0 H ASN A 128 16.031 3.760 -4.196 1.00 0.00 H new ATOM 0 HA ASN A 128 16.241 3.288 -6.874 1.00 0.00 H new ATOM 0 HB2 ASN A 128 16.126 1.755 -4.337 1.00 0.00 H new ATOM 0 HB3 ASN A 128 15.555 0.810 -5.698 1.00 0.00 H new ATOM 0 HD21 ASN A 128 19.518 1.635 -5.232 1.00 0.00 H new ATOM 0 HD22 ASN A 128 18.278 2.305 -4.167 1.00 0.00 H new ATOM 2011 N LYS A 129 13.241 2.391 -5.754 1.00 0.00 N ATOM 2012 CA LYS A 129 11.868 2.027 -6.130 1.00 0.00 C ATOM 2013 C LYS A 129 11.791 0.746 -6.965 1.00 0.00 C ATOM 2014 O LYS A 129 10.871 0.536 -7.753 1.00 0.00 O ATOM 2015 CB LYS A 129 11.159 3.144 -6.893 1.00 0.00 C ATOM 2016 CG LYS A 129 10.777 4.306 -6.000 1.00 0.00 C ATOM 2017 CD LYS A 129 9.869 5.272 -6.767 1.00 0.00 C ATOM 2018 CE LYS A 129 8.394 4.924 -6.618 1.00 0.00 C ATOM 2019 NZ LYS A 129 8.072 3.796 -7.503 1.00 0.00 N ATOM 0 H LYS A 129 13.382 2.463 -4.746 1.00 0.00 H new ATOM 0 HA LYS A 129 11.362 1.855 -5.180 1.00 0.00 H new ATOM 0 HB2 LYS A 129 11.808 3.502 -7.692 1.00 0.00 H new ATOM 0 HB3 LYS A 129 10.262 2.744 -7.366 1.00 0.00 H new ATOM 0 HG2 LYS A 129 10.265 3.940 -5.110 1.00 0.00 H new ATOM 0 HG3 LYS A 129 11.673 4.826 -5.661 1.00 0.00 H new ATOM 0 HD2 LYS A 129 10.038 6.287 -6.408 1.00 0.00 H new ATOM 0 HD3 LYS A 129 10.138 5.258 -7.823 1.00 0.00 H new ATOM 0 HE2 LYS A 129 8.172 4.665 -5.583 1.00 0.00 H new ATOM 0 HE3 LYS A 129 7.777 5.787 -6.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 7.165 3.976 -7.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 8.821 3.689 -8.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 8.002 2.923 -6.942 1.00 0.00 H new ATOM 2033 N VAL A 130 12.813 -0.087 -6.746 1.00 0.00 N ATOM 2034 CA VAL A 130 12.971 -1.395 -7.416 1.00 0.00 C ATOM 2035 C VAL A 130 11.815 -2.274 -6.959 1.00 0.00 C ATOM 2036 O VAL A 130 11.802 -2.756 -5.828 1.00 0.00 O ATOM 2037 CB VAL A 130 14.342 -2.022 -7.078 1.00 0.00 C ATOM 2038 CG1 VAL A 130 14.505 -3.400 -7.739 1.00 0.00 C ATOM 2039 CG2 VAL A 130 15.494 -1.153 -7.607 1.00 0.00 C ATOM 0 H VAL A 130 13.566 0.125 -6.092 1.00 0.00 H new ATOM 0 HA VAL A 130 12.947 -1.285 -8.500 1.00 0.00 H new ATOM 0 HB VAL A 130 14.377 -2.104 -5.992 1.00 0.00 H new ATOM 0 HG11 VAL A 130 15.480 -3.814 -7.482 1.00 0.00 H new ATOM 0 HG12 VAL A 130 13.721 -4.069 -7.384 1.00 0.00 H new ATOM 0 HG13 VAL A 130 14.430 -3.296 -8.821 1.00 0.00 H new ATOM 0 HG21 VAL A 130 16.447 -1.619 -7.355 1.00 0.00 H new ATOM 0 HG22 VAL A 130 15.411 -1.059 -8.690 1.00 0.00 H new ATOM 0 HG23 VAL A 130 15.442 -0.164 -7.152 1.00 0.00 H new ATOM 2049 N PHE A 131 10.762 -2.153 -7.765 1.00 0.00 N ATOM 2050 CA PHE A 131 9.509 -2.917 -7.642 1.00 0.00 C ATOM 2051 C PHE A 131 9.845 -4.360 -7.271 1.00 0.00 C ATOM 2052 O PHE A 131 10.587 -5.050 -7.972 1.00 0.00 O ATOM 2053 CB PHE A 131 8.756 -2.824 -8.975 1.00 0.00 C ATOM 2054 CG PHE A 131 7.635 -3.862 -9.118 1.00 0.00 C ATOM 2055 CD1 PHE A 131 6.372 -3.599 -8.551 1.00 0.00 C ATOM 2056 CD2 PHE A 131 7.954 -5.144 -9.625 1.00 0.00 C ATOM 2057 CE1 PHE A 131 5.418 -4.633 -8.479 1.00 0.00 C ATOM 2058 CE2 PHE A 131 7.014 -6.189 -9.536 1.00 0.00 C ATOM 2059 CZ PHE A 131 5.751 -5.918 -8.957 1.00 0.00 C ATOM 0 H PHE A 131 10.751 -1.501 -8.549 1.00 0.00 H new ATOM 0 HA PHE A 131 8.868 -2.513 -6.858 1.00 0.00 H new ATOM 0 HB2 PHE A 131 8.331 -1.825 -9.074 1.00 0.00 H new ATOM 0 HB3 PHE A 131 9.465 -2.951 -9.793 1.00 0.00 H new ATOM 0 HD1 PHE A 131 6.138 -2.614 -8.175 1.00 0.00 H new ATOM 0 HD2 PHE A 131 8.917 -5.321 -10.080 1.00 0.00 H new ATOM 0 HE1 PHE A 131 4.440 -4.444 -8.061 1.00 0.00 H new ATOM 0 HE2 PHE A 131 7.252 -7.177 -9.902 1.00 0.00 H new ATOM 0 HZ PHE A 131 5.025 -6.714 -8.879 1.00 0.00 H new ATOM 2069 N CYS A 132 9.474 -4.671 -6.047 1.00 0.00 N ATOM 2070 CA CYS A 132 9.762 -5.989 -5.503 1.00 0.00 C ATOM 2071 C CYS A 132 8.666 -6.977 -5.898 1.00 0.00 C ATOM 2072 O CYS A 132 8.872 -7.858 -6.726 1.00 0.00 O ATOM 2073 CB CYS A 132 9.947 -5.803 -4.005 1.00 0.00 C ATOM 2074 SG CYS A 132 11.373 -6.788 -3.475 1.00 0.00 S ATOM 0 H CYS A 132 8.979 -4.042 -5.414 1.00 0.00 H new ATOM 0 HA CYS A 132 10.674 -6.427 -5.908 1.00 0.00 H new ATOM 0 HB2 CYS A 132 10.106 -4.750 -3.771 1.00 0.00 H new ATOM 0 HB3 CYS A 132 9.050 -6.117 -3.471 1.00 0.00 H new ATOM 2079 N GLY A 133 7.458 -6.633 -5.456 1.00 0.00 N ATOM 2080 CA GLY A 133 6.239 -7.397 -5.752 1.00 0.00 C ATOM 2081 C GLY A 133 4.981 -6.666 -5.328 1.00 0.00 C ATOM 2082 O GLY A 133 4.952 -5.443 -5.192 1.00 0.00 O ATOM 0 H GLY A 133 7.292 -5.810 -4.877 1.00 0.00 H new ATOM 0 HA2 GLY A 133 6.193 -7.603 -6.821 1.00 0.00 H new ATOM 0 HA3 GLY A 133 6.285 -8.360 -5.244 1.00 0.00 H new ATOM 2086 N ILE A 134 3.989 -7.495 -5.029 1.00 0.00 N ATOM 2087 CA ILE A 134 2.689 -7.062 -4.501 1.00 0.00 C ATOM 2088 C ILE A 134 2.300 -8.031 -3.389 1.00 0.00 C ATOM 2089 O ILE A 134 2.339 -9.248 -3.548 1.00 0.00 O ATOM 2090 CB ILE A 134 1.635 -6.945 -5.632 1.00 0.00 C ATOM 2091 CG1 ILE A 134 1.864 -5.655 -6.424 1.00 0.00 C ATOM 2092 CG2 ILE A 134 0.178 -6.915 -5.149 1.00 0.00 C ATOM 2093 CD1 ILE A 134 2.343 -5.945 -7.833 1.00 0.00 C ATOM 0 H ILE A 134 4.060 -8.506 -5.146 1.00 0.00 H new ATOM 0 HA ILE A 134 2.747 -6.059 -4.078 1.00 0.00 H new ATOM 0 HB ILE A 134 1.772 -7.844 -6.234 1.00 0.00 H new ATOM 0 HG12 ILE A 134 0.937 -5.082 -6.464 1.00 0.00 H new ATOM 0 HG13 ILE A 134 2.599 -5.036 -5.909 1.00 0.00 H new ATOM 0 HG21 ILE A 134 -0.488 -6.832 -6.008 1.00 0.00 H new ATOM 0 HG22 ILE A 134 -0.044 -7.833 -4.605 1.00 0.00 H new ATOM 0 HG23 ILE A 134 0.030 -6.059 -4.491 1.00 0.00 H new ATOM 0 HD11 ILE A 134 2.495 -5.006 -8.366 1.00 0.00 H new ATOM 0 HD12 ILE A 134 3.283 -6.495 -7.792 1.00 0.00 H new ATOM 0 HD13 ILE A 134 1.596 -6.542 -8.356 1.00 0.00 H new ATOM 2105 N ILE A 135 2.139 -7.454 -2.216 1.00 0.00 N ATOM 2106 CA ILE A 135 1.641 -8.203 -1.055 1.00 0.00 C ATOM 2107 C ILE A 135 0.228 -7.741 -0.690 1.00 0.00 C ATOM 2108 O ILE A 135 -0.137 -6.589 -0.918 1.00 0.00 O ATOM 2109 CB ILE A 135 2.596 -8.155 0.139 1.00 0.00 C ATOM 2110 CG1 ILE A 135 3.069 -6.761 0.550 1.00 0.00 C ATOM 2111 CG2 ILE A 135 3.877 -8.912 -0.222 1.00 0.00 C ATOM 2112 CD1 ILE A 135 2.015 -5.747 1.003 1.00 0.00 C ATOM 0 H ILE A 135 2.342 -6.472 -2.030 1.00 0.00 H new ATOM 0 HA ILE A 135 1.591 -9.254 -1.340 1.00 0.00 H new ATOM 0 HB ILE A 135 2.021 -8.580 0.962 1.00 0.00 H new ATOM 0 HG12 ILE A 135 3.789 -6.878 1.360 1.00 0.00 H new ATOM 0 HG13 ILE A 135 3.607 -6.329 -0.294 1.00 0.00 H new ATOM 0 HG21 ILE A 135 4.566 -8.885 0.622 1.00 0.00 H new ATOM 0 HG22 ILE A 135 3.633 -9.948 -0.458 1.00 0.00 H new ATOM 0 HG23 ILE A 135 4.345 -8.443 -1.088 1.00 0.00 H new ATOM 0 HD11 ILE A 135 2.502 -4.807 1.262 1.00 0.00 H new ATOM 0 HD12 ILE A 135 1.303 -5.577 0.195 1.00 0.00 H new ATOM 0 HD13 ILE A 135 1.488 -6.135 1.875 1.00 0.00 H new ATOM 2124 N ALA A 136 -0.564 -8.693 -0.230 1.00 0.00 N ATOM 2125 CA ALA A 136 -1.936 -8.418 0.215 1.00 0.00 C ATOM 2126 C ALA A 136 -2.263 -9.137 1.517 1.00 0.00 C ATOM 2127 O ALA A 136 -1.716 -10.199 1.789 1.00 0.00 O ATOM 2128 CB ALA A 136 -2.937 -8.862 -0.855 1.00 0.00 C ATOM 0 H ALA A 136 -0.287 -9.671 -0.151 1.00 0.00 H new ATOM 0 HA ALA A 136 -2.011 -7.343 0.381 1.00 0.00 H new ATOM 0 HB1 ALA A 136 -3.951 -8.653 -0.514 1.00 0.00 H new ATOM 0 HB2 ALA A 136 -2.746 -8.318 -1.780 1.00 0.00 H new ATOM 0 HB3 ALA A 136 -2.828 -9.932 -1.034 1.00 0.00 H new ATOM 2134 N HIS A 137 -3.274 -8.612 2.208 1.00 0.00 N ATOM 2135 CA HIS A 137 -3.764 -9.215 3.452 1.00 0.00 C ATOM 2136 C HIS A 137 -4.660 -10.413 3.142 1.00 0.00 C ATOM 2137 O HIS A 137 -5.765 -10.271 2.597 1.00 0.00 O ATOM 2138 CB HIS A 137 -4.549 -8.194 4.258 1.00 0.00 C ATOM 2139 CG HIS A 137 -3.719 -6.991 4.700 1.00 0.00 C ATOM 2140 ND1 HIS A 137 -3.109 -6.842 5.870 1.00 0.00 N ATOM 2141 CD2 HIS A 137 -3.525 -5.880 3.982 1.00 0.00 C ATOM 2142 CE1 HIS A 137 -2.547 -5.640 5.893 1.00 0.00 C ATOM 2143 NE2 HIS A 137 -2.776 -5.061 4.719 1.00 0.00 N ATOM 0 H HIS A 137 -3.773 -7.767 1.928 1.00 0.00 H new ATOM 0 HA HIS A 137 -2.905 -9.549 4.034 1.00 0.00 H new ATOM 0 HB2 HIS A 137 -5.391 -7.844 3.662 1.00 0.00 H new ATOM 0 HB3 HIS A 137 -4.964 -8.682 5.140 1.00 0.00 H new ATOM 0 HD1 HIS A 137 -3.078 -7.532 6.621 1.00 0.00 H new ATOM 0 HD2 HIS A 137 -3.904 -5.683 2.990 1.00 0.00 H new ATOM 0 HE1 HIS A 137 -2.001 -5.209 6.719 1.00 0.00 H new ATOM 2152 N THR A 138 -4.231 -11.565 3.618 1.00 0.00 N ATOM 2153 CA THR A 138 -4.932 -12.856 3.426 1.00 0.00 C ATOM 2154 C THR A 138 -6.126 -13.071 4.365 1.00 0.00 C ATOM 2155 O THR A 138 -6.434 -14.193 4.774 1.00 0.00 O ATOM 2156 CB THR A 138 -3.947 -14.016 3.566 1.00 0.00 C ATOM 2157 OG1 THR A 138 -2.993 -13.711 4.583 1.00 0.00 O ATOM 2158 CG2 THR A 138 -3.344 -14.306 2.199 1.00 0.00 C ATOM 0 H THR A 138 -3.372 -11.651 4.161 1.00 0.00 H new ATOM 0 HA THR A 138 -5.343 -12.822 2.417 1.00 0.00 H new ATOM 0 HB THR A 138 -4.439 -14.933 3.891 1.00 0.00 H new ATOM 0 HG1 THR A 138 -2.362 -14.456 4.674 1.00 0.00 H new ATOM 0 HG21 THR A 138 -2.638 -15.132 2.281 1.00 0.00 H new ATOM 0 HG22 THR A 138 -4.137 -14.574 1.501 1.00 0.00 H new ATOM 0 HG23 THR A 138 -2.825 -13.420 1.835 1.00 0.00 H new ATOM 2166 N LYS A 139 -6.893 -12.004 4.495 1.00 0.00 N ATOM 2167 CA LYS A 139 -8.083 -11.913 5.361 1.00 0.00 C ATOM 2168 C LYS A 139 -8.708 -10.514 5.208 1.00 0.00 C ATOM 2169 O LYS A 139 -8.545 -9.645 6.062 1.00 0.00 O ATOM 2170 CB LYS A 139 -7.680 -12.180 6.817 1.00 0.00 C ATOM 2171 CG LYS A 139 -8.870 -12.155 7.786 1.00 0.00 C ATOM 2172 CD LYS A 139 -8.443 -11.523 9.108 1.00 0.00 C ATOM 2173 CE LYS A 139 -9.462 -10.460 9.523 1.00 0.00 C ATOM 2174 NZ LYS A 139 -9.269 -10.141 10.938 1.00 0.00 N ATOM 0 H LYS A 139 -6.708 -11.139 3.987 1.00 0.00 H new ATOM 0 HA LYS A 139 -8.821 -12.661 5.069 1.00 0.00 H new ATOM 0 HB2 LYS A 139 -7.189 -13.151 6.879 1.00 0.00 H new ATOM 0 HB3 LYS A 139 -6.950 -11.433 7.128 1.00 0.00 H new ATOM 0 HG2 LYS A 139 -9.694 -11.590 7.351 1.00 0.00 H new ATOM 0 HG3 LYS A 139 -9.234 -13.168 7.957 1.00 0.00 H new ATOM 0 HD2 LYS A 139 -8.366 -12.288 9.880 1.00 0.00 H new ATOM 0 HD3 LYS A 139 -7.455 -11.074 9.005 1.00 0.00 H new ATOM 0 HE2 LYS A 139 -9.340 -9.564 8.915 1.00 0.00 H new ATOM 0 HE3 LYS A 139 -10.475 -10.824 9.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 -9.958 -9.418 11.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 -9.406 -10.999 11.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 -8.305 -9.778 11.084 1.00 0.00 H new ATOM 2188 N GLU A 140 -9.362 -10.306 4.060 1.00 0.00 N ATOM 2189 CA GLU A 140 -10.073 -9.051 3.717 1.00 0.00 C ATOM 2190 C GLU A 140 -9.106 -7.872 3.542 1.00 0.00 C ATOM 2191 O GLU A 140 -8.727 -7.554 2.429 1.00 0.00 O ATOM 2192 CB GLU A 140 -11.164 -8.758 4.764 1.00 0.00 C ATOM 2193 CG GLU A 140 -12.581 -9.026 4.264 1.00 0.00 C ATOM 2194 CD GLU A 140 -13.359 -7.711 4.160 1.00 0.00 C ATOM 2195 OE1 GLU A 140 -13.324 -6.948 5.153 1.00 0.00 O ATOM 2196 OE2 GLU A 140 -13.929 -7.480 3.083 1.00 0.00 O ATOM 0 H GLU A 140 -9.418 -11.011 3.325 1.00 0.00 H new ATOM 0 HA GLU A 140 -10.559 -9.187 2.751 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -10.979 -9.367 5.649 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -11.088 -7.715 5.073 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -12.545 -9.515 3.290 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -13.092 -9.707 4.944 1.00 0.00 H new ATOM 2203 N ASN A 141 -8.671 -7.319 4.676 1.00 0.00 N ATOM 2204 CA ASN A 141 -7.691 -6.220 4.767 1.00 0.00 C ATOM 2205 C ASN A 141 -6.913 -6.239 6.105 1.00 0.00 C ATOM 2206 O ASN A 141 -6.556 -5.205 6.678 1.00 0.00 O ATOM 2207 CB ASN A 141 -8.447 -4.900 4.579 1.00 0.00 C ATOM 2208 CG ASN A 141 -7.587 -3.869 3.853 1.00 0.00 C ATOM 2209 OD1 ASN A 141 -6.394 -4.018 3.610 1.00 0.00 O ATOM 2210 ND2 ASN A 141 -8.227 -2.805 3.423 1.00 0.00 N ATOM 0 H ASN A 141 -8.999 -7.630 5.590 1.00 0.00 H new ATOM 0 HA ASN A 141 -6.939 -6.339 3.987 1.00 0.00 H new ATOM 0 HB2 ASN A 141 -9.361 -5.079 4.012 1.00 0.00 H new ATOM 0 HB3 ASN A 141 -8.746 -4.508 5.551 1.00 0.00 H new ATOM 0 HD21 ASN A 141 -7.732 -2.096 2.883 1.00 0.00 H new ATOM 0 HD22 ASN A 141 -9.219 -2.689 3.629 1.00 0.00 H new ATOM 2217 N GLN A 142 -6.732 -7.445 6.637 1.00 0.00 N ATOM 2218 CA GLN A 142 -6.026 -7.684 7.905 1.00 0.00 C ATOM 2219 C GLN A 142 -5.326 -9.052 7.926 1.00 0.00 C ATOM 2220 O GLN A 142 -5.464 -9.849 6.999 1.00 0.00 O ATOM 2221 CB GLN A 142 -7.003 -7.568 9.076 1.00 0.00 C ATOM 2222 CG GLN A 142 -6.524 -6.479 10.021 1.00 0.00 C ATOM 2223 CD GLN A 142 -7.000 -6.729 11.450 1.00 0.00 C ATOM 2224 OE1 GLN A 142 -6.772 -7.774 12.045 1.00 0.00 O ATOM 2225 NE2 GLN A 142 -7.618 -5.743 12.047 1.00 0.00 N ATOM 0 H GLN A 142 -7.074 -8.300 6.198 1.00 0.00 H new ATOM 0 HA GLN A 142 -5.252 -6.923 8.002 1.00 0.00 H new ATOM 0 HB2 GLN A 142 -8.002 -7.334 8.709 1.00 0.00 H new ATOM 0 HB3 GLN A 142 -7.072 -8.519 9.603 1.00 0.00 H new ATOM 0 HG2 GLN A 142 -5.435 -6.432 10.002 1.00 0.00 H new ATOM 0 HG3 GLN A 142 -6.891 -5.511 9.678 1.00 0.00 H new ATOM 0 HE21 GLN A 142 -7.803 -4.876 11.542 1.00 0.00 H new ATOM 0 HE22 GLN A 142 -7.915 -5.841 13.018 1.00 0.00 H new ATOM 2234 N GLY A 143 -4.545 -9.248 8.981 1.00 0.00 N ATOM 2235 CA GLY A 143 -3.710 -10.439 9.185 1.00 0.00 C ATOM 2236 C GLY A 143 -2.472 -10.354 8.272 1.00 0.00 C ATOM 2237 O GLY A 143 -2.312 -9.410 7.496 1.00 0.00 O ATOM 0 H GLY A 143 -4.468 -8.571 9.740 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -3.403 -10.508 10.229 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -4.281 -11.340 8.961 1.00 0.00 H new ATOM 2241 N GLU A 144 -1.564 -11.318 8.479 1.00 0.00 N ATOM 2242 CA GLU A 144 -0.321 -11.423 7.702 1.00 0.00 C ATOM 2243 C GLU A 144 -0.559 -11.149 6.201 1.00 0.00 C ATOM 2244 O GLU A 144 -1.613 -11.447 5.644 1.00 0.00 O ATOM 2245 CB GLU A 144 0.331 -12.813 7.910 1.00 0.00 C ATOM 2246 CG GLU A 144 -0.263 -13.929 7.049 1.00 0.00 C ATOM 2247 CD GLU A 144 -0.487 -15.212 7.836 1.00 0.00 C ATOM 2248 OE1 GLU A 144 -1.523 -15.259 8.537 1.00 0.00 O ATOM 2249 OE2 GLU A 144 0.363 -16.115 7.713 1.00 0.00 O ATOM 0 H GLU A 144 -1.670 -12.044 9.187 1.00 0.00 H new ATOM 0 HA GLU A 144 0.363 -10.657 8.067 1.00 0.00 H new ATOM 0 HB2 GLU A 144 1.397 -12.735 7.697 1.00 0.00 H new ATOM 0 HB3 GLU A 144 0.235 -13.091 8.959 1.00 0.00 H new ATOM 0 HG2 GLU A 144 -1.211 -13.594 6.628 1.00 0.00 H new ATOM 0 HG3 GLU A 144 0.404 -14.132 6.211 1.00 0.00 H new ATOM 2256 N LEU A 145 0.481 -10.629 5.567 1.00 0.00 N ATOM 2257 CA LEU A 145 0.402 -10.336 4.127 1.00 0.00 C ATOM 2258 C LEU A 145 1.070 -11.475 3.361 1.00 0.00 C ATOM 2259 O LEU A 145 2.143 -11.949 3.733 1.00 0.00 O ATOM 2260 CB LEU A 145 1.112 -9.005 3.835 1.00 0.00 C ATOM 2261 CG LEU A 145 0.511 -7.862 4.650 1.00 0.00 C ATOM 2262 CD1 LEU A 145 1.581 -7.197 5.505 1.00 0.00 C ATOM 2263 CD2 LEU A 145 -0.106 -6.840 3.699 1.00 0.00 C ATOM 0 H LEU A 145 1.374 -10.402 6.006 1.00 0.00 H new ATOM 0 HA LEU A 145 -0.639 -10.250 3.814 1.00 0.00 H new ATOM 0 HB2 LEU A 145 2.173 -9.099 4.065 1.00 0.00 H new ATOM 0 HB3 LEU A 145 1.035 -8.776 2.772 1.00 0.00 H new ATOM 0 HG LEU A 145 -0.258 -8.260 5.312 1.00 0.00 H new ATOM 0 HD11 LEU A 145 1.135 -6.385 6.079 1.00 0.00 H new ATOM 0 HD12 LEU A 145 2.010 -7.931 6.187 1.00 0.00 H new ATOM 0 HD13 LEU A 145 2.365 -6.798 4.861 1.00 0.00 H new ATOM 0 HD21 LEU A 145 -0.537 -6.021 4.275 1.00 0.00 H new ATOM 0 HD22 LEU A 145 0.665 -6.450 3.034 1.00 0.00 H new ATOM 0 HD23 LEU A 145 -0.887 -7.318 3.108 1.00 0.00 H new ATOM 2275 N LYS A 146 0.324 -12.034 2.418 1.00 0.00 N ATOM 2276 CA LYS A 146 0.890 -13.074 1.534 1.00 0.00 C ATOM 2277 C LYS A 146 1.350 -12.438 0.230 1.00 0.00 C ATOM 2278 O LYS A 146 0.615 -11.680 -0.419 1.00 0.00 O ATOM 2279 CB LYS A 146 -0.118 -14.196 1.275 1.00 0.00 C ATOM 2280 CG LYS A 146 0.372 -15.335 0.380 1.00 0.00 C ATOM 2281 CD LYS A 146 -0.675 -16.444 0.307 1.00 0.00 C ATOM 2282 CE LYS A 146 -0.348 -17.496 -0.758 1.00 0.00 C ATOM 2283 NZ LYS A 146 -1.035 -17.175 -2.017 1.00 0.00 N ATOM 0 H LYS A 146 -0.652 -11.800 2.238 1.00 0.00 H new ATOM 0 HA LYS A 146 1.749 -13.525 2.031 1.00 0.00 H new ATOM 0 HB2 LYS A 146 -0.420 -14.617 2.234 1.00 0.00 H new ATOM 0 HB3 LYS A 146 -1.009 -13.761 0.823 1.00 0.00 H new ATOM 0 HG2 LYS A 146 0.580 -14.956 -0.621 1.00 0.00 H new ATOM 0 HG3 LYS A 146 1.308 -15.735 0.770 1.00 0.00 H new ATOM 0 HD2 LYS A 146 -0.753 -16.930 1.280 1.00 0.00 H new ATOM 0 HD3 LYS A 146 -1.649 -16.005 0.091 1.00 0.00 H new ATOM 0 HE2 LYS A 146 0.729 -17.535 -0.923 1.00 0.00 H new ATOM 0 HE3 LYS A 146 -0.653 -18.483 -0.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 146 -0.805 -17.895 -2.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 146 -2.063 -17.160 -1.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 146 -0.724 -16.242 -2.354 1.00 0.00 H new ATOM 2297 N LEU A 147 2.646 -12.634 0.002 1.00 0.00 N ATOM 2298 CA LEU A 147 3.317 -12.231 -1.237 1.00 0.00 C ATOM 2299 C LEU A 147 2.605 -12.876 -2.427 1.00 0.00 C ATOM 2300 O LEU A 147 2.633 -14.101 -2.588 1.00 0.00 O ATOM 2301 CB LEU A 147 4.810 -12.611 -1.160 1.00 0.00 C ATOM 2302 CG LEU A 147 5.525 -12.454 -2.506 1.00 0.00 C ATOM 2303 CD1 LEU A 147 5.805 -10.997 -2.849 1.00 0.00 C ATOM 2304 CD2 LEU A 147 6.813 -13.273 -2.508 1.00 0.00 C ATOM 0 H LEU A 147 3.268 -13.081 0.676 1.00 0.00 H new ATOM 0 HA LEU A 147 3.266 -11.151 -1.371 1.00 0.00 H new ATOM 0 HB2 LEU A 147 5.303 -11.986 -0.415 1.00 0.00 H new ATOM 0 HB3 LEU A 147 4.902 -13.643 -0.821 1.00 0.00 H new ATOM 0 HG LEU A 147 4.858 -12.832 -3.281 1.00 0.00 H new ATOM 0 HD11 LEU A 147 6.313 -10.941 -3.812 1.00 0.00 H new ATOM 0 HD12 LEU A 147 4.865 -10.449 -2.902 1.00 0.00 H new ATOM 0 HD13 LEU A 147 6.439 -10.557 -2.079 1.00 0.00 H new ATOM 0 HD21 LEU A 147 7.316 -13.157 -3.468 1.00 0.00 H new ATOM 0 HD22 LEU A 147 7.468 -12.923 -1.710 1.00 0.00 H new ATOM 0 HD23 LEU A 147 6.576 -14.325 -2.348 1.00 0.00 H new ATOM 2316 N CYS A 148 1.850 -12.031 -3.114 1.00 0.00 N ATOM 2317 CA CYS A 148 1.141 -12.416 -4.343 1.00 0.00 C ATOM 2318 C CYS A 148 2.168 -12.991 -5.325 1.00 0.00 C ATOM 2319 O CYS A 148 3.381 -12.786 -5.207 1.00 0.00 O ATOM 2320 CB CYS A 148 0.434 -11.231 -5.015 1.00 0.00 C ATOM 2321 SG CYS A 148 -0.585 -10.182 -3.905 1.00 0.00 S ATOM 0 H CYS A 148 1.707 -11.058 -2.842 1.00 0.00 H new ATOM 0 HA CYS A 148 0.376 -13.145 -4.075 1.00 0.00 H new ATOM 0 HB2 CYS A 148 1.188 -10.602 -5.488 1.00 0.00 H new ATOM 0 HB3 CYS A 148 -0.205 -11.616 -5.810 1.00 0.00 H new ATOM 2326 N SER A 149 1.648 -13.780 -6.241 1.00 0.00 N ATOM 2327 CA SER A 149 2.489 -14.463 -7.234 1.00 0.00 C ATOM 2328 C SER A 149 1.912 -14.301 -8.632 1.00 0.00 C ATOM 2329 O SER A 149 0.694 -14.174 -8.834 1.00 0.00 O ATOM 2330 CB SER A 149 2.648 -15.941 -6.867 1.00 0.00 C ATOM 2331 OG SER A 149 1.360 -16.551 -6.692 1.00 0.00 O ATOM 0 H SER A 149 0.650 -13.972 -6.329 1.00 0.00 H new ATOM 0 HA SER A 149 3.477 -14.004 -7.230 1.00 0.00 H new ATOM 0 HB2 SER A 149 3.201 -16.460 -7.650 1.00 0.00 H new ATOM 0 HB3 SER A 149 3.230 -16.035 -5.950 1.00 0.00 H new ATOM 0 HG SER A 149 1.475 -17.496 -6.459 1.00 0.00 H new ATOM 2337 N HIS A 150 2.841 -14.096 -9.548 1.00 0.00 N ATOM 2338 CA HIS A 150 2.517 -13.933 -10.972 1.00 0.00 C ATOM 2339 C HIS A 150 2.898 -15.150 -11.841 1.00 0.00 C ATOM 2340 O HIS A 150 3.659 -16.001 -11.327 1.00 0.00 O ATOM 2341 CB HIS A 150 3.167 -12.658 -11.505 1.00 0.00 C ATOM 2342 CG HIS A 150 4.691 -12.729 -11.434 1.00 0.00 C ATOM 2343 ND1 HIS A 150 5.490 -13.114 -12.421 1.00 0.00 N ATOM 2344 CD2 HIS A 150 5.447 -12.225 -10.476 1.00 0.00 C ATOM 2345 CE1 HIS A 150 6.745 -12.835 -12.077 1.00 0.00 C ATOM 2346 NE2 HIS A 150 6.709 -12.266 -10.874 1.00 0.00 N ATOM 2347 OXT HIS A 150 2.521 -15.148 -13.034 1.00 0.00 O ATOM 0 H HIS A 150 3.837 -14.036 -9.338 1.00 0.00 H new ATOM 0 HA HIS A 150 1.432 -13.854 -11.041 1.00 0.00 H new ATOM 0 HB2 HIS A 150 2.858 -12.496 -12.538 1.00 0.00 H new ATOM 0 HB3 HIS A 150 2.815 -11.802 -10.929 1.00 0.00 H new ATOM 0 HD2 HIS A 150 5.096 -11.844 -9.529 1.00 0.00 H new ATOM 0 HE1 HIS A 150 7.629 -13.033 -12.665 1.00 0.00 H new ATOM 0 HE2 HIS A 150 7.514 -11.922 -10.350 1.00 0.00 H new