USER MOD reduce.3.24.130724 H: found=0, std=0, add=1081, rem=0, adj=33 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= -0.455 K(o=-0.94,f=-1.5) USER MOD Set 1.2: A 141 ASN : amide:sc= -0.483 K(o=-0.94,f=-2.9) USER MOD Set 2.1: A 46 SER OG : rot -84:sc= -0.516! USER MOD Set 2.2: A 106 TYR OH : rot 161:sc= -0.399 USER MOD Set 3.1: A 12 ASN : amide:sc= -0.289 K(o=-1.8,f=-4.2!) USER MOD Set 3.2: A 15 THR OG1 : rot 180:sc= -1.5 USER MOD Single : A 3 THR OG1 : rot 180:sc=-0.00795 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 ASN :FLIP amide:sc= -3.05 F(o=-4.9!,f=-3) USER MOD Single : A 10 GLN : amide:sc= -2.76! C(o=-2.8!,f=-3.3!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 110:sc= -0.231 USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 GLN : amide:sc= -2.03 K(o=-2,f=-5.3!) USER MOD Single : A 28 ASN : amide:sc= -0.268 K(o=-0.27,f=-1.3!) USER MOD Single : A 29 LYS NZ :NH3+ -124:sc= 0 (180deg=-1.21) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -1.18 K(o=-1.2,f=-7.4!) USER MOD Single : A 34 SER OG : rot 28:sc= 0.159 USER MOD Single : A 35 HIS : no HD1:sc= -1.26 X(o=-1.3,f=-0.8) USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 40 SER OG : rot 34:sc= -0.122 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 141:sc= 0.549 USER MOD Single : A 47 SER OG : rot -67:sc= 0.488 USER MOD Single : A 48 TYR OH : rot 120:sc= -0.665 USER MOD Single : A 50 HIS : no HD1:sc= -0.623 K(o=-0.62,f=-2.4) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -4.53! C(o=-4.5!,f=-5.6!) USER MOD Single : A 56 TYR OH : rot 74:sc= 1.15 USER MOD Single : A 67 THR OG1 : rot 36:sc= 0.0445 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= -0.831 K(o=-0.83,f=-5.4!) USER MOD Single : A 83 SER OG : rot 87:sc= 1.18 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 ASN : amide:sc= -0.263 K(o=-0.26,f=-0.9) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HD1:sc= -0.868 X(o=-0.87,f=-1.4) USER MOD Single : A 93 TYR OH : rot -48:sc= 0.814 USER MOD Single : A 99 THR OG1 : rot -130:sc= 0 USER MOD Single : A 104 HIS : no HD1:sc= -1.66 K(o=-1.7,f=-3.3!) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 ASN : amide:sc= -1.56 K(o=-1.6,f=-2.5!) USER MOD Single : A 124 TYR OH : rot 180:sc= -0.464 USER MOD Single : A 125 THR OG1 : rot -140:sc= -0.359 USER MOD Single : A 126 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 ASN : amide:sc= -0.152 K(o=-0.15,f=-1.3) USER MOD Single : A 129 LYS NZ :NH3+ -126:sc= -0.849 (180deg=-4.35!) USER MOD Single : A 138 THR OG1 : rot 180:sc= 0.108 USER MOD Single : A 139 LYS NZ :NH3+ 163:sc= -0.934 (180deg=-1.44) USER MOD Single : A 142 GLN : amide:sc= -0.526 X(o=-0.53,f=-0.31) 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= -1.56 K(o=-1.6,f=-2.3) USER MOD ----------------------------------------------------------------- ATOM 11 N VAL A 2 3.542 -7.453 -15.012 1.00 0.00 N ATOM 12 CA VAL A 2 2.905 -8.783 -14.975 1.00 0.00 C ATOM 13 C VAL A 2 1.588 -8.723 -14.177 1.00 0.00 C ATOM 14 O VAL A 2 1.267 -7.680 -13.615 1.00 0.00 O ATOM 15 CB VAL A 2 3.957 -9.773 -14.415 1.00 0.00 C ATOM 16 CG1 VAL A 2 4.114 -9.782 -12.919 1.00 0.00 C ATOM 17 CG2 VAL A 2 3.729 -11.174 -14.962 1.00 0.00 C ATOM 0 HA VAL A 2 2.608 -9.132 -15.964 1.00 0.00 H new ATOM 0 HB VAL A 2 4.913 -9.393 -14.776 1.00 0.00 H new ATOM 0 HG11 VAL A 2 4.875 -10.510 -12.637 1.00 0.00 H new ATOM 0 HG12 VAL A 2 4.416 -8.791 -12.579 1.00 0.00 H new ATOM 0 HG13 VAL A 2 3.165 -10.051 -12.455 1.00 0.00 H new ATOM 0 HG21 VAL A 2 4.480 -11.851 -14.554 1.00 0.00 H new ATOM 0 HG22 VAL A 2 2.736 -11.519 -14.675 1.00 0.00 H new ATOM 0 HG23 VAL A 2 3.808 -11.157 -16.049 1.00 0.00 H new ATOM 27 N THR A 3 0.945 -9.858 -14.035 1.00 0.00 N ATOM 28 CA THR A 3 -0.312 -10.008 -13.282 1.00 0.00 C ATOM 29 C THR A 3 -0.067 -10.613 -11.902 1.00 0.00 C ATOM 30 O THR A 3 -0.034 -11.824 -11.733 1.00 0.00 O ATOM 31 CB THR A 3 -1.292 -10.759 -14.193 1.00 0.00 C ATOM 32 OG1 THR A 3 -2.039 -9.742 -14.862 1.00 0.00 O ATOM 33 CG2 THR A 3 -2.235 -11.815 -13.576 1.00 0.00 C ATOM 0 H THR A 3 1.276 -10.732 -14.443 1.00 0.00 H new ATOM 0 HA THR A 3 -0.770 -9.050 -13.036 1.00 0.00 H new ATOM 0 HB THR A 3 -0.684 -11.395 -14.837 1.00 0.00 H new ATOM 0 HG1 THR A 3 -2.689 -10.158 -15.467 1.00 0.00 H new ATOM 0 HG21 THR A 3 -2.859 -12.248 -14.358 1.00 0.00 H new ATOM 0 HG22 THR A 3 -1.643 -12.601 -13.107 1.00 0.00 H new ATOM 0 HG23 THR A 3 -2.870 -11.342 -12.826 1.00 0.00 H new ATOM 41 N TRP A 4 0.185 -9.752 -10.926 1.00 0.00 N ATOM 42 CA TRP A 4 0.359 -10.162 -9.523 1.00 0.00 C ATOM 43 C TRP A 4 -1.002 -10.395 -8.874 1.00 0.00 C ATOM 44 O TRP A 4 -1.746 -9.488 -8.537 1.00 0.00 O ATOM 45 CB TRP A 4 1.131 -9.129 -8.712 1.00 0.00 C ATOM 46 CG TRP A 4 2.635 -9.138 -8.977 1.00 0.00 C ATOM 47 CD1 TRP A 4 3.237 -8.755 -10.098 1.00 0.00 C ATOM 48 CD2 TRP A 4 3.640 -9.571 -8.129 1.00 0.00 C ATOM 49 NE1 TRP A 4 4.554 -8.932 -10.013 1.00 0.00 N ATOM 50 CE2 TRP A 4 4.851 -9.450 -8.828 1.00 0.00 C ATOM 51 CE3 TRP A 4 3.620 -10.062 -6.813 1.00 0.00 C ATOM 52 CZ2 TRP A 4 6.077 -9.852 -8.258 1.00 0.00 C ATOM 53 CZ3 TRP A 4 4.846 -10.464 -6.244 1.00 0.00 C ATOM 54 CH2 TRP A 4 6.056 -10.382 -6.955 1.00 0.00 C ATOM 0 H TRP A 4 0.276 -8.747 -11.076 1.00 0.00 H new ATOM 0 HA TRP A 4 0.938 -11.086 -9.528 1.00 0.00 H new ATOM 0 HB2 TRP A 4 0.738 -8.137 -8.935 1.00 0.00 H new ATOM 0 HB3 TRP A 4 0.957 -9.309 -7.651 1.00 0.00 H new ATOM 0 HD1 TRP A 4 2.727 -8.354 -10.961 1.00 0.00 H new ATOM 0 HE1 TRP A 4 5.228 -8.705 -10.744 1.00 0.00 H new ATOM 0 HE3 TRP A 4 2.697 -10.129 -6.256 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 7.003 -9.756 -8.805 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 4.856 -10.846 -5.234 1.00 0.00 H new ATOM 0 HH2 TRP A 4 6.972 -10.727 -6.499 1.00 0.00 H new ATOM 65 N THR A 5 -1.312 -11.662 -8.699 1.00 0.00 N ATOM 66 CA THR A 5 -2.595 -12.109 -8.138 1.00 0.00 C ATOM 67 C THR A 5 -2.371 -12.579 -6.695 1.00 0.00 C ATOM 68 O THR A 5 -1.354 -13.167 -6.342 1.00 0.00 O ATOM 69 CB THR A 5 -3.169 -13.206 -9.027 1.00 0.00 C ATOM 70 OG1 THR A 5 -3.022 -12.807 -10.395 1.00 0.00 O ATOM 71 CG2 THR A 5 -4.665 -13.339 -8.790 1.00 0.00 C ATOM 0 H THR A 5 -0.683 -12.428 -8.941 1.00 0.00 H new ATOM 0 HA THR A 5 -3.319 -11.295 -8.111 1.00 0.00 H new ATOM 0 HB THR A 5 -2.652 -14.140 -8.806 1.00 0.00 H new ATOM 0 HG1 THR A 5 -3.386 -13.504 -10.980 1.00 0.00 H new ATOM 0 HG21 THR A 5 -5.066 -14.125 -9.430 1.00 0.00 H new ATOM 0 HG22 THR A 5 -4.847 -13.593 -7.746 1.00 0.00 H new ATOM 0 HG23 THR A 5 -5.156 -12.395 -9.025 1.00 0.00 H new ATOM 79 N CYS A 6 -3.317 -12.196 -5.858 1.00 0.00 N ATOM 80 CA CYS A 6 -3.344 -12.519 -4.418 1.00 0.00 C ATOM 81 C CYS A 6 -4.596 -13.318 -4.080 1.00 0.00 C ATOM 82 O CYS A 6 -5.580 -13.315 -4.811 1.00 0.00 O ATOM 83 CB CYS A 6 -3.288 -11.247 -3.580 1.00 0.00 C ATOM 84 SG CYS A 6 -1.789 -11.208 -2.552 1.00 0.00 S ATOM 0 H CYS A 6 -4.116 -11.636 -6.155 1.00 0.00 H new ATOM 0 HA CYS A 6 -2.467 -13.123 -4.185 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -3.307 -10.375 -4.234 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -4.171 -11.187 -2.944 1.00 0.00 H new ATOM 89 N LEU A 7 -4.512 -14.017 -2.960 1.00 0.00 N ATOM 90 CA LEU A 7 -5.600 -14.880 -2.477 1.00 0.00 C ATOM 91 C LEU A 7 -6.003 -14.480 -1.047 1.00 0.00 C ATOM 92 O LEU A 7 -5.434 -14.933 -0.058 1.00 0.00 O ATOM 93 CB LEU A 7 -5.143 -16.340 -2.537 1.00 0.00 C ATOM 94 CG LEU A 7 -5.037 -16.855 -3.970 1.00 0.00 C ATOM 95 CD1 LEU A 7 -3.838 -17.789 -4.105 1.00 0.00 C ATOM 96 CD2 LEU A 7 -6.325 -17.569 -4.362 1.00 0.00 C ATOM 0 H LEU A 7 -3.692 -14.008 -2.354 1.00 0.00 H new ATOM 0 HA LEU A 7 -6.478 -14.759 -3.112 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.174 -16.436 -2.046 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -5.845 -16.961 -1.981 1.00 0.00 H new ATOM 0 HG LEU A 7 -4.891 -16.011 -4.644 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -3.772 -18.150 -5.131 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -2.926 -17.249 -3.851 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -3.958 -18.636 -3.429 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.242 -17.934 -5.386 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.494 -18.410 -3.690 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.162 -16.874 -4.291 1.00 0.00 H new ATOM 108 N ASN A 8 -6.895 -13.499 -0.997 1.00 0.00 N ATOM 109 CA ASN A 8 -7.393 -12.931 0.265 1.00 0.00 C ATOM 110 C ASN A 8 -8.674 -13.672 0.669 1.00 0.00 C ATOM 111 O ASN A 8 -9.381 -14.220 -0.167 1.00 0.00 O ATOM 112 CB ASN A 8 -7.702 -11.439 0.120 1.00 0.00 C ATOM 113 CG ASN A 8 -6.591 -10.658 -0.589 1.00 0.00 C ATOM 114 OD1 ASN A 8 -5.928 -9.779 0.117 1.00 0.00 O flip ATOM 115 ND2 ASN A 8 -6.336 -10.815 -1.774 1.00 0.00 N flip ATOM 0 H ASN A 8 -7.299 -13.069 -1.829 1.00 0.00 H new ATOM 0 HA ASN A 8 -6.622 -13.048 1.026 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -8.632 -11.320 -0.435 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -7.864 -11.010 1.109 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -6.856 -11.502 -2.321 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -5.604 -10.259 -2.216 1.00 0.00 H new ATOM 122 N ASP A 9 -9.019 -13.549 1.944 1.00 0.00 N ATOM 123 CA ASP A 9 -10.235 -14.194 2.460 1.00 0.00 C ATOM 124 C ASP A 9 -11.385 -13.176 2.492 1.00 0.00 C ATOM 125 O ASP A 9 -11.203 -12.032 2.881 1.00 0.00 O ATOM 126 CB ASP A 9 -9.915 -14.768 3.837 1.00 0.00 C ATOM 127 CG ASP A 9 -10.642 -16.084 4.162 1.00 0.00 C ATOM 128 OD1 ASP A 9 -11.131 -16.737 3.214 1.00 0.00 O ATOM 129 OD2 ASP A 9 -10.757 -16.357 5.368 1.00 0.00 O ATOM 0 H ASP A 9 -8.489 -13.019 2.636 1.00 0.00 H new ATOM 0 HA ASP A 9 -10.560 -15.011 1.815 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -8.840 -14.934 3.907 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -10.173 -14.028 4.595 1.00 0.00 H new ATOM 134 N GLN A 10 -12.546 -13.544 1.983 1.00 0.00 N ATOM 135 CA GLN A 10 -13.724 -12.664 1.938 1.00 0.00 C ATOM 136 C GLN A 10 -14.932 -13.337 2.572 1.00 0.00 C ATOM 137 O GLN A 10 -15.271 -14.460 2.218 1.00 0.00 O ATOM 138 CB GLN A 10 -14.036 -12.267 0.493 1.00 0.00 C ATOM 139 CG GLN A 10 -13.215 -11.038 0.103 1.00 0.00 C ATOM 140 CD GLN A 10 -13.212 -10.808 -1.407 1.00 0.00 C ATOM 141 OE1 GLN A 10 -14.229 -10.672 -2.068 1.00 0.00 O ATOM 142 NE2 GLN A 10 -12.018 -10.802 -1.972 1.00 0.00 N ATOM 0 H GLN A 10 -12.711 -14.468 1.583 1.00 0.00 H new ATOM 0 HA GLN A 10 -13.497 -11.764 2.510 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -13.809 -13.095 -0.178 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -15.100 -12.053 0.387 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -13.620 -10.158 0.603 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -12.190 -11.161 0.453 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -11.182 -10.917 -1.399 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -11.932 -10.682 -2.981 1.00 0.00 H new ATOM 151 N LYS A 11 -15.483 -12.654 3.566 1.00 0.00 N ATOM 152 CA LYS A 11 -16.672 -13.143 4.276 1.00 0.00 C ATOM 153 C LYS A 11 -17.910 -12.800 3.455 1.00 0.00 C ATOM 154 O LYS A 11 -18.608 -11.817 3.695 1.00 0.00 O ATOM 155 CB LYS A 11 -16.726 -12.576 5.701 1.00 0.00 C ATOM 156 CG LYS A 11 -17.962 -13.075 6.453 1.00 0.00 C ATOM 157 CD LYS A 11 -18.361 -12.006 7.471 1.00 0.00 C ATOM 158 CE LYS A 11 -18.327 -12.582 8.881 1.00 0.00 C ATOM 159 NZ LYS A 11 -17.801 -11.551 9.783 1.00 0.00 N ATOM 0 H LYS A 11 -15.130 -11.759 3.904 1.00 0.00 H new ATOM 0 HA LYS A 11 -16.628 -14.227 4.385 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -15.826 -12.865 6.244 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -16.738 -11.487 5.661 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -18.780 -13.263 5.758 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -17.747 -14.018 6.955 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -17.682 -11.156 7.401 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -19.361 -11.635 7.246 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -19.327 -12.886 9.192 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -17.699 -13.472 8.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -17.769 -11.923 10.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -16.842 -11.283 9.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -18.419 -10.715 9.753 1.00 0.00 H new ATOM 173 N ASN A 12 -18.118 -13.614 2.428 1.00 0.00 N ATOM 174 CA ASN A 12 -19.275 -13.481 1.526 1.00 0.00 C ATOM 175 C ASN A 12 -20.553 -13.359 2.368 1.00 0.00 C ATOM 176 O ASN A 12 -20.748 -14.200 3.237 1.00 0.00 O ATOM 177 CB ASN A 12 -19.389 -14.721 0.629 1.00 0.00 C ATOM 178 CG ASN A 12 -19.877 -14.319 -0.761 1.00 0.00 C ATOM 179 OD1 ASN A 12 -19.768 -13.195 -1.210 1.00 0.00 O ATOM 180 ND2 ASN A 12 -20.469 -15.257 -1.463 1.00 0.00 N ATOM 0 H ASN A 12 -17.496 -14.386 2.190 1.00 0.00 H new ATOM 0 HA ASN A 12 -19.144 -12.596 0.903 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -18.421 -15.216 0.554 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -20.080 -15.438 1.072 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -20.840 -15.044 -2.389 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -20.558 -16.199 -1.082 1.00 0.00 H new ATOM 187 N PRO A 13 -21.340 -12.293 2.185 1.00 0.00 N ATOM 188 CA PRO A 13 -22.575 -12.064 2.963 1.00 0.00 C ATOM 189 C PRO A 13 -23.718 -13.007 2.550 1.00 0.00 C ATOM 190 O PRO A 13 -24.489 -13.436 3.396 1.00 0.00 O ATOM 191 CB PRO A 13 -22.920 -10.596 2.722 1.00 0.00 C ATOM 192 CG PRO A 13 -22.291 -10.248 1.367 1.00 0.00 C ATOM 193 CD PRO A 13 -21.091 -11.200 1.230 1.00 0.00 C ATOM 0 HA PRO A 13 -22.427 -12.279 4.021 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -23.999 -10.443 2.705 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -22.521 -9.963 3.515 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -23.002 -10.390 0.553 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -21.974 -9.206 1.335 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -21.007 -11.581 0.212 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -20.156 -10.687 1.457 1.00 0.00 H new ATOM 201 N LYS A 14 -23.685 -13.436 1.287 1.00 0.00 N ATOM 202 CA LYS A 14 -24.664 -14.392 0.741 1.00 0.00 C ATOM 203 C LYS A 14 -24.582 -15.739 1.475 1.00 0.00 C ATOM 204 O LYS A 14 -25.571 -16.265 1.962 1.00 0.00 O ATOM 205 CB LYS A 14 -24.463 -14.565 -0.767 1.00 0.00 C ATOM 206 CG LYS A 14 -25.434 -15.604 -1.340 1.00 0.00 C ATOM 207 CD LYS A 14 -25.965 -15.140 -2.700 1.00 0.00 C ATOM 208 CE LYS A 14 -25.681 -16.177 -3.775 1.00 0.00 C ATOM 209 NZ LYS A 14 -25.748 -15.497 -5.070 1.00 0.00 N ATOM 0 H LYS A 14 -22.983 -13.135 0.611 1.00 0.00 H new ATOM 0 HA LYS A 14 -25.664 -13.990 0.902 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -24.612 -13.609 -1.268 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -23.437 -14.873 -0.967 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -24.929 -16.564 -1.447 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -26.264 -15.756 -0.650 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -27.038 -14.963 -2.635 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -25.501 -14.192 -2.972 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -24.698 -16.624 -3.627 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -26.409 -16.987 -3.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -25.558 -16.180 -5.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -26.696 -15.089 -5.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -25.038 -14.738 -5.101 1.00 0.00 H new ATOM 223 N THR A 15 -23.352 -16.215 1.591 1.00 0.00 N ATOM 224 CA THR A 15 -23.092 -17.499 2.253 1.00 0.00 C ATOM 225 C THR A 15 -22.678 -17.315 3.721 1.00 0.00 C ATOM 226 O THR A 15 -22.397 -18.301 4.396 1.00 0.00 O ATOM 227 CB THR A 15 -22.017 -18.247 1.439 1.00 0.00 C ATOM 228 OG1 THR A 15 -20.848 -17.422 1.392 1.00 0.00 O ATOM 229 CG2 THR A 15 -22.504 -18.593 0.034 1.00 0.00 C ATOM 0 H THR A 15 -22.519 -15.741 1.241 1.00 0.00 H new ATOM 0 HA THR A 15 -24.008 -18.090 2.280 1.00 0.00 H new ATOM 0 HB THR A 15 -21.790 -19.197 1.923 1.00 0.00 H new ATOM 0 HG1 THR A 15 -20.147 -17.877 0.880 1.00 0.00 H new ATOM 0 HG21 THR A 15 -21.716 -19.119 -0.505 1.00 0.00 H new ATOM 0 HG22 THR A 15 -23.386 -19.231 0.101 1.00 0.00 H new ATOM 0 HG23 THR A 15 -22.759 -17.677 -0.499 1.00 0.00 H new ATOM 237 N ASN A 16 -22.574 -16.051 4.157 1.00 0.00 N ATOM 238 CA ASN A 16 -22.080 -15.641 5.493 1.00 0.00 C ATOM 239 C ASN A 16 -20.798 -16.385 5.912 1.00 0.00 C ATOM 240 O ASN A 16 -20.552 -16.666 7.082 1.00 0.00 O ATOM 241 CB ASN A 16 -23.208 -15.796 6.521 1.00 0.00 C ATOM 242 CG ASN A 16 -23.496 -14.447 7.176 1.00 0.00 C ATOM 243 OD1 ASN A 16 -22.893 -14.047 8.158 1.00 0.00 O ATOM 244 ND2 ASN A 16 -24.436 -13.727 6.611 1.00 0.00 N ATOM 0 H ASN A 16 -22.838 -15.256 3.576 1.00 0.00 H new ATOM 0 HA ASN A 16 -21.792 -14.591 5.443 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -24.107 -16.174 6.034 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -22.925 -16.526 7.279 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -24.676 -12.812 6.992 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -24.927 -14.082 5.790 1.00 0.00 H new ATOM 251 N LYS A 17 -20.030 -16.764 4.900 1.00 0.00 N ATOM 252 CA LYS A 17 -18.842 -17.609 5.071 1.00 0.00 C ATOM 253 C LYS A 17 -17.627 -16.961 4.412 1.00 0.00 C ATOM 254 O LYS A 17 -17.751 -16.093 3.560 1.00 0.00 O ATOM 255 CB LYS A 17 -19.107 -19.011 4.504 1.00 0.00 C ATOM 256 CG LYS A 17 -19.024 -20.040 5.634 1.00 0.00 C ATOM 257 CD LYS A 17 -17.643 -20.676 5.746 1.00 0.00 C ATOM 258 CE LYS A 17 -17.230 -20.838 7.208 1.00 0.00 C ATOM 259 NZ LYS A 17 -16.283 -21.959 7.351 1.00 0.00 N ATOM 0 H LYS A 17 -20.208 -16.497 3.932 1.00 0.00 H new ATOM 0 HA LYS A 17 -18.626 -17.710 6.135 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -20.091 -19.046 4.037 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -18.377 -19.246 3.729 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -19.276 -19.558 6.579 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -19.767 -20.820 5.466 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -17.647 -21.649 5.256 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -16.911 -20.059 5.224 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -16.771 -19.917 7.567 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -18.111 -21.017 7.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -16.010 -22.058 8.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -16.734 -22.838 7.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -15.435 -21.773 6.778 1.00 0.00 H new ATOM 273 N TYR A 18 -16.471 -17.457 4.819 1.00 0.00 N ATOM 274 CA TYR A 18 -15.179 -16.966 4.329 1.00 0.00 C ATOM 275 C TYR A 18 -14.682 -17.746 3.115 1.00 0.00 C ATOM 276 O TYR A 18 -14.772 -18.972 3.070 1.00 0.00 O ATOM 277 CB TYR A 18 -14.136 -17.054 5.447 1.00 0.00 C ATOM 278 CG TYR A 18 -13.812 -15.672 6.024 1.00 0.00 C ATOM 279 CD1 TYR A 18 -13.295 -14.674 5.172 1.00 0.00 C ATOM 280 CD2 TYR A 18 -13.900 -15.483 7.418 1.00 0.00 C ATOM 281 CE1 TYR A 18 -12.832 -13.468 5.721 1.00 0.00 C ATOM 282 CE2 TYR A 18 -13.448 -14.280 7.974 1.00 0.00 C ATOM 283 CZ TYR A 18 -12.911 -13.285 7.113 1.00 0.00 C ATOM 284 OH TYR A 18 -12.504 -12.092 7.634 1.00 0.00 O ATOM 0 H TYR A 18 -16.394 -18.213 5.499 1.00 0.00 H new ATOM 0 HA TYR A 18 -15.323 -15.930 4.021 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -14.506 -17.703 6.241 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -13.225 -17.511 5.061 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -13.256 -14.837 4.105 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -14.311 -16.257 8.050 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -12.423 -12.696 5.087 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -13.506 -14.111 9.039 1.00 0.00 H new ATOM 0 HH TYR A 18 -12.615 -12.105 8.608 1.00 0.00 H new ATOM 294 N GLU A 19 -14.290 -17.000 2.100 1.00 0.00 N ATOM 295 CA GLU A 19 -13.849 -17.582 0.822 1.00 0.00 C ATOM 296 C GLU A 19 -12.507 -16.958 0.415 1.00 0.00 C ATOM 297 O GLU A 19 -12.286 -15.773 0.630 1.00 0.00 O ATOM 298 CB GLU A 19 -14.871 -17.334 -0.294 1.00 0.00 C ATOM 299 CG GLU A 19 -16.315 -17.421 0.185 1.00 0.00 C ATOM 300 CD GLU A 19 -17.343 -17.549 -0.929 1.00 0.00 C ATOM 301 OE1 GLU A 19 -17.233 -16.814 -1.933 1.00 0.00 O ATOM 302 OE2 GLU A 19 -18.278 -18.358 -0.719 1.00 0.00 O ATOM 0 H GLU A 19 -14.264 -15.981 2.125 1.00 0.00 H new ATOM 0 HA GLU A 19 -13.747 -18.658 0.961 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -14.697 -16.348 -0.725 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -14.714 -18.062 -1.090 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -16.412 -18.278 0.852 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -16.544 -16.532 0.773 1.00 0.00 H new ATOM 309 N THR A 20 -11.718 -17.715 -0.323 1.00 0.00 N ATOM 310 CA THR A 20 -10.399 -17.247 -0.760 1.00 0.00 C ATOM 311 C THR A 20 -10.447 -16.828 -2.228 1.00 0.00 C ATOM 312 O THR A 20 -10.229 -17.624 -3.146 1.00 0.00 O ATOM 313 CB THR A 20 -9.344 -18.328 -0.463 1.00 0.00 C ATOM 314 OG1 THR A 20 -9.398 -18.588 0.937 1.00 0.00 O ATOM 315 CG2 THR A 20 -7.918 -17.905 -0.844 1.00 0.00 C ATOM 0 H THR A 20 -11.958 -18.655 -0.636 1.00 0.00 H new ATOM 0 HA THR A 20 -10.107 -16.358 -0.201 1.00 0.00 H new ATOM 0 HB THR A 20 -9.572 -19.209 -1.063 1.00 0.00 H new ATOM 0 HG1 THR A 20 -8.739 -19.276 1.168 1.00 0.00 H new ATOM 0 HG21 THR A 20 -7.224 -18.712 -0.609 1.00 0.00 H new ATOM 0 HG22 THR A 20 -7.875 -17.689 -1.912 1.00 0.00 H new ATOM 0 HG23 THR A 20 -7.641 -17.013 -0.282 1.00 0.00 H new ATOM 323 N LYS A 21 -10.880 -15.589 -2.407 1.00 0.00 N ATOM 324 CA LYS A 21 -11.006 -14.986 -3.740 1.00 0.00 C ATOM 325 C LYS A 21 -9.597 -14.739 -4.331 1.00 0.00 C ATOM 326 O LYS A 21 -8.593 -14.783 -3.621 1.00 0.00 O ATOM 327 CB LYS A 21 -11.805 -13.683 -3.660 1.00 0.00 C ATOM 328 CG LYS A 21 -13.123 -13.842 -2.886 1.00 0.00 C ATOM 329 CD LYS A 21 -14.377 -13.724 -3.745 1.00 0.00 C ATOM 330 CE LYS A 21 -15.592 -13.566 -2.828 1.00 0.00 C ATOM 331 NZ LYS A 21 -16.822 -13.789 -3.580 1.00 0.00 N ATOM 0 H LYS A 21 -11.154 -14.971 -1.643 1.00 0.00 H new ATOM 0 HA LYS A 21 -11.545 -15.668 -4.397 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -11.196 -12.917 -3.179 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -12.021 -13.332 -4.669 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -13.125 -14.814 -2.393 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -13.163 -13.086 -2.101 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -14.296 -12.868 -4.415 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.490 -14.609 -4.371 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -15.528 -14.275 -2.002 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -15.600 -12.567 -2.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -17.640 -13.679 -2.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -16.887 -13.096 -4.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -16.817 -14.751 -3.976 1.00 0.00 H new ATOM 345 N ARG A 22 -9.566 -14.495 -5.633 1.00 0.00 N ATOM 346 CA ARG A 22 -8.317 -14.259 -6.373 1.00 0.00 C ATOM 347 C ARG A 22 -8.246 -12.824 -6.891 1.00 0.00 C ATOM 348 O ARG A 22 -8.801 -12.479 -7.931 1.00 0.00 O ATOM 349 CB ARG A 22 -8.187 -15.225 -7.549 1.00 0.00 C ATOM 350 CG ARG A 22 -7.070 -16.228 -7.307 1.00 0.00 C ATOM 351 CD ARG A 22 -6.138 -16.349 -8.499 1.00 0.00 C ATOM 352 NE ARG A 22 -5.980 -17.745 -8.909 1.00 0.00 N ATOM 353 CZ ARG A 22 -5.643 -18.134 -10.136 1.00 0.00 C ATOM 354 NH1 ARG A 22 -5.382 -17.261 -11.095 1.00 0.00 N ATOM 355 NH2 ARG A 22 -5.555 -19.433 -10.409 1.00 0.00 N ATOM 0 H ARG A 22 -10.403 -14.453 -6.215 1.00 0.00 H new ATOM 0 HA ARG A 22 -7.494 -14.427 -5.678 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -9.129 -15.753 -7.697 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -7.988 -14.666 -8.463 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -6.497 -15.927 -6.430 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -7.502 -17.204 -7.086 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -6.531 -15.765 -9.331 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -5.164 -15.929 -8.247 1.00 0.00 H new ATOM 0 HE ARG A 22 -6.139 -18.468 -8.207 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -5.437 -16.261 -10.903 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -5.126 -17.588 -12.027 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -5.745 -20.121 -9.681 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -5.297 -19.741 -11.347 1.00 0.00 H new ATOM 369 N LEU A 23 -7.628 -11.980 -6.089 1.00 0.00 N ATOM 370 CA LEU A 23 -7.439 -10.570 -6.441 1.00 0.00 C ATOM 371 C LEU A 23 -6.236 -10.381 -7.372 1.00 0.00 C ATOM 372 O LEU A 23 -5.097 -10.522 -6.957 1.00 0.00 O ATOM 373 CB LEU A 23 -7.298 -9.734 -5.166 1.00 0.00 C ATOM 374 CG LEU A 23 -8.460 -8.751 -5.054 1.00 0.00 C ATOM 375 CD1 LEU A 23 -9.803 -9.453 -4.800 1.00 0.00 C ATOM 376 CD2 LEU A 23 -8.193 -7.817 -3.889 1.00 0.00 C ATOM 0 H LEU A 23 -7.243 -12.240 -5.181 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.317 -10.226 -6.988 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -7.278 -10.387 -4.294 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.353 -9.192 -5.180 1.00 0.00 H new ATOM 0 HG LEU A 23 -8.530 -8.216 -6.001 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -10.595 -8.708 -4.729 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -10.019 -10.134 -5.623 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -9.749 -10.015 -3.868 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -9.015 -7.108 -3.796 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -8.108 -8.397 -2.970 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.264 -7.274 -4.063 1.00 0.00 H new ATOM 388 N LEU A 24 -6.547 -10.156 -8.642 1.00 0.00 N ATOM 389 CA LEU A 24 -5.524 -9.884 -9.658 1.00 0.00 C ATOM 390 C LEU A 24 -5.143 -8.403 -9.646 1.00 0.00 C ATOM 391 O LEU A 24 -5.990 -7.507 -9.702 1.00 0.00 O ATOM 392 CB LEU A 24 -5.998 -10.457 -11.024 1.00 0.00 C ATOM 393 CG LEU A 24 -5.588 -9.749 -12.331 1.00 0.00 C ATOM 394 CD1 LEU A 24 -6.463 -8.535 -12.619 1.00 0.00 C ATOM 395 CD2 LEU A 24 -4.106 -9.383 -12.406 1.00 0.00 C ATOM 0 H LEU A 24 -7.502 -10.155 -9.000 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.589 -10.399 -9.437 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.645 -11.486 -11.086 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -7.087 -10.495 -11.001 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.754 -10.489 -13.113 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.140 -8.066 -13.548 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.502 -8.850 -12.713 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.373 -7.820 -11.801 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.901 -8.889 -13.356 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.855 -8.710 -11.586 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.503 -10.288 -12.330 1.00 0.00 H new ATOM 407 N TYR A 25 -3.834 -8.194 -9.641 1.00 0.00 N ATOM 408 CA TYR A 25 -3.205 -6.860 -9.662 1.00 0.00 C ATOM 409 C TYR A 25 -2.042 -6.816 -10.635 1.00 0.00 C ATOM 410 O TYR A 25 -0.961 -7.353 -10.397 1.00 0.00 O ATOM 411 CB TYR A 25 -2.697 -6.517 -8.265 1.00 0.00 C ATOM 412 CG TYR A 25 -3.877 -6.173 -7.358 1.00 0.00 C ATOM 413 CD1 TYR A 25 -4.374 -4.860 -7.439 1.00 0.00 C ATOM 414 CD2 TYR A 25 -4.413 -7.131 -6.470 1.00 0.00 C ATOM 415 CE1 TYR A 25 -5.421 -4.496 -6.582 1.00 0.00 C ATOM 416 CE2 TYR A 25 -5.470 -6.741 -5.637 1.00 0.00 C ATOM 417 CZ TYR A 25 -5.957 -5.415 -5.681 1.00 0.00 C ATOM 418 OH TYR A 25 -6.924 -5.015 -4.820 1.00 0.00 O ATOM 0 H TYR A 25 -3.156 -8.956 -9.622 1.00 0.00 H new ATOM 0 HA TYR A 25 -3.954 -6.136 -9.983 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -2.142 -7.360 -7.852 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -2.007 -5.675 -8.315 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -3.960 -4.152 -8.142 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -4.019 -8.136 -6.434 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -5.817 -3.492 -6.620 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -5.914 -7.456 -4.960 1.00 0.00 H new ATOM 0 HH TYR A 25 -7.777 -5.425 -5.073 1.00 0.00 H new ATOM 428 N ASN A 26 -2.250 -6.113 -11.738 1.00 0.00 N ATOM 429 CA ASN A 26 -1.158 -5.912 -12.702 1.00 0.00 C ATOM 430 C ASN A 26 -0.061 -5.073 -12.045 1.00 0.00 C ATOM 431 O ASN A 26 -0.264 -3.900 -11.738 1.00 0.00 O ATOM 432 CB ASN A 26 -1.662 -5.213 -13.971 1.00 0.00 C ATOM 433 CG ASN A 26 -1.446 -6.099 -15.202 1.00 0.00 C ATOM 434 OD1 ASN A 26 -2.358 -6.671 -15.760 1.00 0.00 O ATOM 435 ND2 ASN A 26 -0.224 -6.163 -15.670 1.00 0.00 N ATOM 0 H ASN A 26 -3.137 -5.679 -11.992 1.00 0.00 H new ATOM 0 HA ASN A 26 -0.761 -6.885 -12.991 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -2.722 -4.980 -13.867 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -1.138 -4.266 -14.102 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -0.029 -6.700 -16.515 1.00 0.00 H new ATOM 0 HD22 ASN A 26 0.532 -5.676 -15.189 1.00 0.00 H new ATOM 442 N GLN A 27 1.121 -5.681 -11.897 1.00 0.00 N ATOM 443 CA GLN A 27 2.325 -4.988 -11.414 1.00 0.00 C ATOM 444 C GLN A 27 2.484 -3.632 -12.102 1.00 0.00 C ATOM 445 O GLN A 27 3.011 -2.707 -11.515 1.00 0.00 O ATOM 446 CB GLN A 27 3.565 -5.847 -11.682 1.00 0.00 C ATOM 447 CG GLN A 27 4.872 -5.048 -11.585 1.00 0.00 C ATOM 448 CD GLN A 27 6.131 -5.849 -11.873 1.00 0.00 C ATOM 449 OE1 GLN A 27 6.176 -7.064 -11.784 1.00 0.00 O ATOM 450 NE2 GLN A 27 7.197 -5.118 -12.068 1.00 0.00 N ATOM 0 H GLN A 27 1.272 -6.667 -12.108 1.00 0.00 H new ATOM 0 HA GLN A 27 2.218 -4.825 -10.342 1.00 0.00 H new ATOM 0 HB2 GLN A 27 3.593 -6.670 -10.968 1.00 0.00 H new ATOM 0 HB3 GLN A 27 3.487 -6.290 -12.675 1.00 0.00 H new ATOM 0 HG2 GLN A 27 4.823 -4.212 -12.282 1.00 0.00 H new ATOM 0 HG3 GLN A 27 4.949 -4.624 -10.584 1.00 0.00 H new ATOM 0 HE21 GLN A 27 7.114 -4.104 -12.136 1.00 0.00 H new ATOM 0 HE22 GLN A 27 8.111 -5.562 -12.152 1.00 0.00 H new ATOM 459 N ASN A 28 2.105 -3.547 -13.375 1.00 0.00 N ATOM 460 CA ASN A 28 2.189 -2.320 -14.187 1.00 0.00 C ATOM 461 C ASN A 28 1.469 -1.166 -13.523 1.00 0.00 C ATOM 462 O ASN A 28 2.144 -0.294 -12.997 1.00 0.00 O ATOM 463 CB ASN A 28 1.640 -2.573 -15.585 1.00 0.00 C ATOM 464 CG ASN A 28 2.629 -2.032 -16.619 1.00 0.00 C ATOM 465 OD1 ASN A 28 3.845 -2.051 -16.474 1.00 0.00 O ATOM 466 ND2 ASN A 28 2.080 -1.585 -17.717 1.00 0.00 N ATOM 0 H ASN A 28 1.722 -4.341 -13.888 1.00 0.00 H new ATOM 0 HA ASN A 28 3.240 -2.042 -14.271 1.00 0.00 H new ATOM 0 HB2 ASN A 28 1.482 -3.640 -15.739 1.00 0.00 H new ATOM 0 HB3 ASN A 28 0.671 -2.087 -15.702 1.00 0.00 H new ATOM 0 HD21 ASN A 28 2.667 -1.242 -18.477 1.00 0.00 H new ATOM 0 HD22 ASN A 28 1.065 -1.579 -17.814 1.00 0.00 H new ATOM 473 N LYS A 29 0.217 -1.434 -13.209 1.00 0.00 N ATOM 474 CA LYS A 29 -0.606 -0.496 -12.445 1.00 0.00 C ATOM 475 C LYS A 29 -0.097 -0.238 -11.031 1.00 0.00 C ATOM 476 O LYS A 29 -0.347 0.831 -10.481 1.00 0.00 O ATOM 477 CB LYS A 29 -2.037 -1.021 -12.457 1.00 0.00 C ATOM 478 CG LYS A 29 -2.763 -0.344 -13.632 1.00 0.00 C ATOM 479 CD LYS A 29 -2.228 -0.577 -15.040 1.00 0.00 C ATOM 480 CE LYS A 29 -2.489 -2.007 -15.526 1.00 0.00 C ATOM 481 NZ LYS A 29 -1.809 -2.166 -16.819 1.00 0.00 N ATOM 0 H LYS A 29 -0.261 -2.296 -13.469 1.00 0.00 H new ATOM 0 HA LYS A 29 -0.555 0.483 -12.922 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -2.048 -2.105 -12.572 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.537 -0.795 -11.515 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.803 -0.670 -13.613 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.762 0.731 -13.449 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -2.695 0.130 -15.726 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -1.156 -0.378 -15.058 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -2.113 -2.732 -14.804 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -3.559 -2.187 -15.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -2.497 -2.468 -17.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -1.387 -1.259 -17.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -1.061 -2.883 -16.732 1.00 0.00 H new ATOM 495 N ALA A 30 0.752 -1.125 -10.546 1.00 0.00 N ATOM 496 CA ALA A 30 1.436 -1.002 -9.255 1.00 0.00 C ATOM 497 C ALA A 30 2.718 -0.169 -9.360 1.00 0.00 C ATOM 498 O ALA A 30 2.702 0.988 -8.951 1.00 0.00 O ATOM 499 CB ALA A 30 1.687 -2.419 -8.734 1.00 0.00 C ATOM 0 H ALA A 30 0.997 -1.979 -11.048 1.00 0.00 H new ATOM 0 HA ALA A 30 0.813 -0.458 -8.545 1.00 0.00 H new ATOM 0 HB1 ALA A 30 2.196 -2.368 -7.772 1.00 0.00 H new ATOM 0 HB2 ALA A 30 0.735 -2.936 -8.614 1.00 0.00 H new ATOM 0 HB3 ALA A 30 2.309 -2.963 -9.445 1.00 0.00 H new ATOM 505 N GLU A 31 3.716 -0.660 -10.100 1.00 0.00 N ATOM 506 CA GLU A 31 4.981 0.037 -10.417 1.00 0.00 C ATOM 507 C GLU A 31 4.716 1.423 -11.014 1.00 0.00 C ATOM 508 O GLU A 31 5.326 2.377 -10.574 1.00 0.00 O ATOM 509 CB GLU A 31 5.881 -0.820 -11.321 1.00 0.00 C ATOM 510 CG GLU A 31 5.390 -1.002 -12.766 1.00 0.00 C ATOM 511 CD GLU A 31 6.192 -0.166 -13.776 1.00 0.00 C ATOM 512 OE1 GLU A 31 7.423 -0.352 -13.798 1.00 0.00 O ATOM 513 OE2 GLU A 31 5.546 0.598 -14.534 1.00 0.00 O ATOM 0 H GLU A 31 3.670 -1.591 -10.515 1.00 0.00 H new ATOM 0 HA GLU A 31 5.522 0.189 -9.483 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.873 -0.370 -11.347 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.990 -1.805 -10.866 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.457 -2.055 -13.038 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.338 -0.724 -12.825 1.00 0.00 H new ATOM 520 N SER A 32 3.650 1.553 -11.789 1.00 0.00 N ATOM 521 CA SER A 32 3.243 2.834 -12.406 1.00 0.00 C ATOM 522 C SER A 32 2.631 3.769 -11.367 1.00 0.00 C ATOM 523 O SER A 32 3.075 4.894 -11.243 1.00 0.00 O ATOM 524 CB SER A 32 2.222 2.594 -13.514 1.00 0.00 C ATOM 525 OG SER A 32 2.058 3.767 -14.314 1.00 0.00 O ATOM 0 H SER A 32 3.030 0.776 -12.017 1.00 0.00 H new ATOM 0 HA SER A 32 4.137 3.296 -12.824 1.00 0.00 H new ATOM 0 HB2 SER A 32 2.547 1.763 -14.141 1.00 0.00 H new ATOM 0 HB3 SER A 32 1.265 2.309 -13.077 1.00 0.00 H new ATOM 0 HG SER A 32 1.401 3.592 -15.020 1.00 0.00 H new ATOM 531 N ASN A 33 1.768 3.234 -10.499 1.00 0.00 N ATOM 532 CA ASN A 33 1.168 3.968 -9.361 1.00 0.00 C ATOM 533 C ASN A 33 2.231 4.490 -8.392 1.00 0.00 C ATOM 534 O ASN A 33 2.303 5.693 -8.157 1.00 0.00 O ATOM 535 CB ASN A 33 0.254 3.053 -8.567 1.00 0.00 C ATOM 536 CG ASN A 33 -1.174 3.530 -8.693 1.00 0.00 C ATOM 537 OD1 ASN A 33 -1.478 4.679 -8.451 1.00 0.00 O ATOM 538 ND2 ASN A 33 -2.073 2.608 -8.979 1.00 0.00 N ATOM 0 H ASN A 33 1.456 2.265 -10.561 1.00 0.00 H new ATOM 0 HA ASN A 33 0.618 4.805 -9.790 1.00 0.00 H new ATOM 0 HB2 ASN A 33 0.340 2.030 -8.933 1.00 0.00 H new ATOM 0 HB3 ASN A 33 0.554 3.043 -7.519 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -3.063 2.851 -9.002 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -1.778 1.652 -9.177 1.00 0.00 H new ATOM 545 N SER A 34 3.090 3.587 -7.951 1.00 0.00 N ATOM 546 CA SER A 34 4.228 3.913 -7.083 1.00 0.00 C ATOM 547 C SER A 34 5.184 4.917 -7.736 1.00 0.00 C ATOM 548 O SER A 34 5.456 5.939 -7.131 1.00 0.00 O ATOM 549 CB SER A 34 4.992 2.667 -6.683 1.00 0.00 C ATOM 550 OG SER A 34 5.179 1.745 -7.761 1.00 0.00 O ATOM 0 H SER A 34 3.024 2.596 -8.183 1.00 0.00 H new ATOM 0 HA SER A 34 3.809 4.375 -6.189 1.00 0.00 H new ATOM 0 HB2 SER A 34 5.966 2.958 -6.290 1.00 0.00 H new ATOM 0 HB3 SER A 34 4.459 2.166 -5.875 1.00 0.00 H new ATOM 0 HG SER A 34 5.189 2.233 -8.611 1.00 0.00 H new ATOM 556 N HIS A 35 5.385 4.750 -9.043 1.00 0.00 N ATOM 557 CA HIS A 35 6.215 5.682 -9.847 1.00 0.00 C ATOM 558 C HIS A 35 5.525 7.032 -10.105 1.00 0.00 C ATOM 559 O HIS A 35 6.180 8.030 -10.382 1.00 0.00 O ATOM 560 CB HIS A 35 6.638 5.034 -11.162 1.00 0.00 C ATOM 561 CG HIS A 35 7.672 3.904 -11.029 1.00 0.00 C ATOM 562 ND1 HIS A 35 8.348 3.382 -12.045 1.00 0.00 N ATOM 563 CD2 HIS A 35 7.988 3.191 -9.944 1.00 0.00 C ATOM 564 CE1 HIS A 35 9.063 2.348 -11.607 1.00 0.00 C ATOM 565 NE2 HIS A 35 8.835 2.227 -10.305 1.00 0.00 N ATOM 0 H HIS A 35 4.988 3.979 -9.580 1.00 0.00 H new ATOM 0 HA HIS A 35 7.104 5.895 -9.253 1.00 0.00 H new ATOM 0 HB2 HIS A 35 5.751 4.637 -11.656 1.00 0.00 H new ATOM 0 HB3 HIS A 35 7.048 5.805 -11.814 1.00 0.00 H new ATOM 0 HD2 HIS A 35 7.620 3.366 -8.944 1.00 0.00 H new ATOM 0 HE1 HIS A 35 9.711 1.722 -12.203 1.00 0.00 H new ATOM 0 HE2 HIS A 35 9.237 1.521 -9.689 1.00 0.00 H new ATOM 574 N HIS A 36 4.200 7.047 -9.928 1.00 0.00 N ATOM 575 CA HIS A 36 3.364 8.254 -10.025 1.00 0.00 C ATOM 576 C HIS A 36 3.162 8.913 -8.641 1.00 0.00 C ATOM 577 O HIS A 36 2.698 10.052 -8.548 1.00 0.00 O ATOM 578 CB HIS A 36 2.023 7.873 -10.647 1.00 0.00 C ATOM 579 CG HIS A 36 1.792 8.595 -11.983 1.00 0.00 C ATOM 580 ND1 HIS A 36 0.946 9.598 -12.173 1.00 0.00 N ATOM 581 CD2 HIS A 36 2.387 8.346 -13.151 1.00 0.00 C ATOM 582 CE1 HIS A 36 1.006 9.970 -13.443 1.00 0.00 C ATOM 583 NE2 HIS A 36 1.904 9.197 -14.042 1.00 0.00 N ATOM 0 H HIS A 36 3.666 6.206 -9.709 1.00 0.00 H new ATOM 0 HA HIS A 36 3.866 8.987 -10.656 1.00 0.00 H new ATOM 0 HB2 HIS A 36 1.988 6.795 -10.805 1.00 0.00 H new ATOM 0 HB3 HIS A 36 1.218 8.120 -9.955 1.00 0.00 H new ATOM 0 HD2 HIS A 36 3.131 7.585 -13.336 1.00 0.00 H new ATOM 0 HE1 HIS A 36 0.430 10.758 -13.906 1.00 0.00 H new ATOM 0 HE2 HIS A 36 2.176 9.250 -15.024 1.00 0.00 H new ATOM 592 N ALA A 37 3.563 8.196 -7.594 1.00 0.00 N ATOM 593 CA ALA A 37 3.504 8.639 -6.201 1.00 0.00 C ATOM 594 C ALA A 37 4.866 9.187 -5.748 1.00 0.00 C ATOM 595 O ALA A 37 5.900 8.713 -6.221 1.00 0.00 O ATOM 596 CB ALA A 37 3.049 7.479 -5.322 1.00 0.00 C ATOM 0 H ALA A 37 3.951 7.258 -7.694 1.00 0.00 H new ATOM 0 HA ALA A 37 2.782 9.451 -6.108 1.00 0.00 H new ATOM 0 HB1 ALA A 37 3.004 7.806 -4.283 1.00 0.00 H new ATOM 0 HB2 ALA A 37 2.061 7.146 -5.641 1.00 0.00 H new ATOM 0 HB3 ALA A 37 3.756 6.655 -5.413 1.00 0.00 H new ATOM 602 N PRO A 38 4.881 10.246 -4.918 1.00 0.00 N ATOM 603 CA PRO A 38 6.122 10.858 -4.425 1.00 0.00 C ATOM 604 C PRO A 38 6.783 9.952 -3.403 1.00 0.00 C ATOM 605 O PRO A 38 6.130 9.223 -2.673 1.00 0.00 O ATOM 606 CB PRO A 38 5.696 12.194 -3.812 1.00 0.00 C ATOM 607 CG PRO A 38 4.229 12.026 -3.436 1.00 0.00 C ATOM 608 CD PRO A 38 3.707 10.947 -4.374 1.00 0.00 C ATOM 0 HA PRO A 38 6.858 11.009 -5.215 1.00 0.00 H new ATOM 0 HB2 PRO A 38 6.300 12.433 -2.937 1.00 0.00 H new ATOM 0 HB3 PRO A 38 5.827 13.010 -4.522 1.00 0.00 H new ATOM 0 HG2 PRO A 38 4.120 11.730 -2.393 1.00 0.00 H new ATOM 0 HG3 PRO A 38 3.679 12.959 -3.562 1.00 0.00 H new ATOM 0 HD2 PRO A 38 3.057 10.254 -3.841 1.00 0.00 H new ATOM 0 HD3 PRO A 38 3.114 11.387 -5.176 1.00 0.00 H new ATOM 616 N LEU A 39 8.098 10.016 -3.319 1.00 0.00 N ATOM 617 CA LEU A 39 8.841 9.187 -2.372 1.00 0.00 C ATOM 618 C LEU A 39 9.017 9.887 -1.025 1.00 0.00 C ATOM 619 O LEU A 39 9.983 10.610 -0.783 1.00 0.00 O ATOM 620 CB LEU A 39 10.185 8.901 -3.010 1.00 0.00 C ATOM 621 CG LEU A 39 10.095 7.760 -4.008 1.00 0.00 C ATOM 622 CD1 LEU A 39 11.295 7.844 -4.947 1.00 0.00 C ATOM 623 CD2 LEU A 39 10.009 6.406 -3.292 1.00 0.00 C ATOM 0 H LEU A 39 8.678 10.630 -3.891 1.00 0.00 H new ATOM 0 HA LEU A 39 8.297 8.265 -2.165 1.00 0.00 H new ATOM 0 HB2 LEU A 39 10.549 9.797 -3.512 1.00 0.00 H new ATOM 0 HB3 LEU A 39 10.911 8.652 -2.236 1.00 0.00 H new ATOM 0 HG LEU A 39 9.182 7.848 -4.596 1.00 0.00 H new ATOM 0 HD11 LEU A 39 11.247 7.031 -5.672 1.00 0.00 H new ATOM 0 HD12 LEU A 39 11.280 8.799 -5.472 1.00 0.00 H new ATOM 0 HD13 LEU A 39 12.216 7.761 -4.369 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.946 5.607 -4.031 1.00 0.00 H new ATOM 0 HD22 LEU A 39 10.898 6.262 -2.678 1.00 0.00 H new ATOM 0 HD23 LEU A 39 9.122 6.385 -2.658 1.00 0.00 H new ATOM 635 N SER A 40 7.996 9.711 -0.188 1.00 0.00 N ATOM 636 CA SER A 40 7.951 10.353 1.133 1.00 0.00 C ATOM 637 C SER A 40 6.952 9.653 2.045 1.00 0.00 C ATOM 638 O SER A 40 5.738 9.726 1.850 1.00 0.00 O ATOM 639 CB SER A 40 7.609 11.846 1.003 1.00 0.00 C ATOM 640 OG SER A 40 6.285 12.024 0.497 1.00 0.00 O ATOM 0 H SER A 40 7.185 9.129 -0.398 1.00 0.00 H new ATOM 0 HA SER A 40 8.940 10.266 1.582 1.00 0.00 H new ATOM 0 HB2 SER A 40 7.699 12.330 1.976 1.00 0.00 H new ATOM 0 HB3 SER A 40 8.325 12.331 0.339 1.00 0.00 H new ATOM 0 HG SER A 40 5.710 11.300 0.823 1.00 0.00 H new ATOM 646 N ASP A 41 7.512 8.943 3.026 1.00 0.00 N ATOM 647 CA ASP A 41 6.711 8.230 4.032 1.00 0.00 C ATOM 648 C ASP A 41 5.792 9.231 4.736 1.00 0.00 C ATOM 649 O ASP A 41 6.279 10.156 5.381 1.00 0.00 O ATOM 650 CB ASP A 41 7.595 7.531 5.059 1.00 0.00 C ATOM 651 CG ASP A 41 6.807 7.124 6.309 1.00 0.00 C ATOM 652 OD1 ASP A 41 5.875 6.302 6.166 1.00 0.00 O ATOM 653 OD2 ASP A 41 7.049 7.752 7.351 1.00 0.00 O ATOM 0 H ASP A 41 8.520 8.844 3.148 1.00 0.00 H new ATOM 0 HA ASP A 41 6.122 7.465 3.527 1.00 0.00 H new ATOM 0 HB2 ASP A 41 8.044 6.646 4.609 1.00 0.00 H new ATOM 0 HB3 ASP A 41 8.413 8.193 5.345 1.00 0.00 H new ATOM 658 N GLY A 42 4.488 8.968 4.623 1.00 0.00 N ATOM 659 CA GLY A 42 3.442 9.796 5.268 1.00 0.00 C ATOM 660 C GLY A 42 3.689 11.287 5.041 1.00 0.00 C ATOM 661 O GLY A 42 4.144 11.991 5.934 1.00 0.00 O ATOM 0 H GLY A 42 4.119 8.182 4.087 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.464 9.523 4.871 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.420 9.588 6.338 1.00 0.00 H new ATOM 665 N LYS A 43 3.503 11.709 3.791 1.00 0.00 N ATOM 666 CA LYS A 43 3.716 13.123 3.424 1.00 0.00 C ATOM 667 C LYS A 43 2.837 13.553 2.238 1.00 0.00 C ATOM 668 O LYS A 43 3.186 14.375 1.399 1.00 0.00 O ATOM 669 CB LYS A 43 5.199 13.345 3.135 1.00 0.00 C ATOM 670 CG LYS A 43 5.710 14.615 3.800 1.00 0.00 C ATOM 671 CD LYS A 43 7.101 14.965 3.252 1.00 0.00 C ATOM 672 CE LYS A 43 7.324 16.476 3.357 1.00 0.00 C ATOM 673 NZ LYS A 43 8.297 16.884 2.340 1.00 0.00 N ATOM 0 H LYS A 43 3.210 11.109 3.020 1.00 0.00 H new ATOM 0 HA LYS A 43 3.415 13.751 4.263 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.773 12.490 3.492 1.00 0.00 H new ATOM 0 HB3 LYS A 43 5.356 13.408 2.058 1.00 0.00 H new ATOM 0 HG2 LYS A 43 5.019 15.437 3.615 1.00 0.00 H new ATOM 0 HG3 LYS A 43 5.759 14.477 4.880 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.869 14.433 3.813 1.00 0.00 H new ATOM 0 HD3 LYS A 43 7.186 14.645 2.213 1.00 0.00 H new ATOM 0 HE2 LYS A 43 6.383 17.007 3.213 1.00 0.00 H new ATOM 0 HE3 LYS A 43 7.687 16.735 4.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 8.456 17.910 2.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 9.195 16.384 2.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 7.932 16.648 1.395 1.00 0.00 H new ATOM 687 N THR A 44 1.645 12.979 2.236 1.00 0.00 N ATOM 688 CA THR A 44 0.686 13.210 1.151 1.00 0.00 C ATOM 689 C THR A 44 -0.704 13.158 1.749 1.00 0.00 C ATOM 690 O THR A 44 -0.886 12.853 2.930 1.00 0.00 O ATOM 691 CB THR A 44 0.893 12.164 0.054 1.00 0.00 C ATOM 692 OG1 THR A 44 2.253 11.709 0.071 1.00 0.00 O ATOM 693 CG2 THR A 44 0.639 12.734 -1.338 1.00 0.00 C ATOM 0 H THR A 44 1.313 12.351 2.968 1.00 0.00 H new ATOM 0 HA THR A 44 0.829 14.185 0.686 1.00 0.00 H new ATOM 0 HB THR A 44 0.188 11.357 0.254 1.00 0.00 H new ATOM 0 HG1 THR A 44 2.277 10.744 -0.099 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.798 11.956 -2.084 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.388 13.094 -1.402 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.325 13.560 -1.524 1.00 0.00 H new ATOM 701 N GLY A 45 -1.677 13.465 0.904 1.00 0.00 N ATOM 702 CA GLY A 45 -3.082 13.520 1.310 1.00 0.00 C ATOM 703 C GLY A 45 -3.546 12.265 2.075 1.00 0.00 C ATOM 704 O GLY A 45 -3.661 12.254 3.290 1.00 0.00 O ATOM 0 H GLY A 45 -1.520 13.683 -0.080 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -3.237 14.398 1.938 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.704 13.648 0.424 1.00 0.00 H new ATOM 708 N SER A 46 -3.607 11.170 1.341 1.00 0.00 N ATOM 709 CA SER A 46 -3.911 9.860 1.938 1.00 0.00 C ATOM 710 C SER A 46 -2.770 9.296 2.807 1.00 0.00 C ATOM 711 O SER A 46 -2.903 8.212 3.369 1.00 0.00 O ATOM 712 CB SER A 46 -4.300 8.928 0.804 1.00 0.00 C ATOM 713 OG SER A 46 -4.335 7.586 1.270 1.00 0.00 O ATOM 0 H SER A 46 -3.452 11.149 0.333 1.00 0.00 H new ATOM 0 HA SER A 46 -4.737 9.967 2.642 1.00 0.00 H new ATOM 0 HB2 SER A 46 -5.276 9.210 0.409 1.00 0.00 H new ATOM 0 HB3 SER A 46 -3.586 9.019 -0.014 1.00 0.00 H new ATOM 0 HG SER A 46 -3.432 7.205 1.240 1.00 0.00 H new ATOM 719 N SER A 47 -1.680 10.054 2.930 1.00 0.00 N ATOM 720 CA SER A 47 -0.416 9.732 3.661 1.00 0.00 C ATOM 721 C SER A 47 0.544 8.984 2.735 1.00 0.00 C ATOM 722 O SER A 47 1.752 9.218 2.746 1.00 0.00 O ATOM 723 CB SER A 47 -0.609 8.941 4.959 1.00 0.00 C ATOM 724 OG SER A 47 -0.559 7.526 4.727 1.00 0.00 O ATOM 0 H SER A 47 -1.636 10.977 2.498 1.00 0.00 H new ATOM 0 HA SER A 47 0.002 10.693 3.962 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.164 9.221 5.675 1.00 0.00 H new ATOM 0 HB3 SER A 47 -1.568 9.203 5.407 1.00 0.00 H new ATOM 0 HG SER A 47 -1.332 7.255 4.189 1.00 0.00 H new ATOM 730 N TYR A 48 -0.052 8.167 1.880 1.00 0.00 N ATOM 731 CA TYR A 48 0.641 7.326 0.896 1.00 0.00 C ATOM 732 C TYR A 48 1.534 8.147 -0.032 1.00 0.00 C ATOM 733 O TYR A 48 1.135 9.226 -0.456 1.00 0.00 O ATOM 734 CB TYR A 48 -0.377 6.508 0.098 1.00 0.00 C ATOM 735 CG TYR A 48 -1.199 5.578 0.974 1.00 0.00 C ATOM 736 CD1 TYR A 48 -0.644 4.789 2.008 1.00 0.00 C ATOM 737 CD2 TYR A 48 -2.577 5.558 0.711 1.00 0.00 C ATOM 738 CE1 TYR A 48 -1.491 3.992 2.796 1.00 0.00 C ATOM 739 CE2 TYR A 48 -3.433 4.766 1.500 1.00 0.00 C ATOM 740 CZ TYR A 48 -2.870 3.989 2.536 1.00 0.00 C ATOM 741 OH TYR A 48 -3.683 3.218 3.291 1.00 0.00 O ATOM 0 H TYR A 48 -1.066 8.062 1.845 1.00 0.00 H new ATOM 0 HA TYR A 48 1.295 6.644 1.439 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -1.046 7.186 -0.433 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.146 5.921 -0.657 1.00 0.00 H new ATOM 0 HD1 TYR A 48 0.420 4.799 2.190 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -2.981 6.150 -0.097 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -1.085 3.388 3.594 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -4.497 4.753 1.317 1.00 0.00 H new ATOM 0 HH TYR A 48 -4.342 3.784 3.745 1.00 0.00 H new ATOM 751 N PRO A 49 2.685 7.577 -0.407 1.00 0.00 N ATOM 752 CA PRO A 49 3.125 6.232 -0.022 1.00 0.00 C ATOM 753 C PRO A 49 3.729 6.214 1.386 1.00 0.00 C ATOM 754 O PRO A 49 4.494 7.083 1.781 1.00 0.00 O ATOM 755 CB PRO A 49 4.110 5.775 -1.085 1.00 0.00 C ATOM 756 CG PRO A 49 4.621 7.064 -1.689 1.00 0.00 C ATOM 757 CD PRO A 49 3.591 8.168 -1.397 1.00 0.00 C ATOM 0 HA PRO A 49 2.281 5.544 0.027 1.00 0.00 H new ATOM 0 HB2 PRO A 49 4.920 5.188 -0.652 1.00 0.00 H new ATOM 0 HB3 PRO A 49 3.627 5.147 -1.834 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.590 7.326 -1.265 1.00 0.00 H new ATOM 0 HG3 PRO A 49 4.764 6.951 -2.764 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.072 9.066 -1.008 1.00 0.00 H new ATOM 0 HD3 PRO A 49 3.055 8.459 -2.300 1.00 0.00 H new ATOM 765 N HIS A 50 3.115 5.340 2.165 1.00 0.00 N ATOM 766 CA HIS A 50 3.535 5.184 3.557 1.00 0.00 C ATOM 767 C HIS A 50 4.560 4.052 3.618 1.00 0.00 C ATOM 768 O HIS A 50 4.464 3.079 2.874 1.00 0.00 O ATOM 769 CB HIS A 50 2.317 4.934 4.458 1.00 0.00 C ATOM 770 CG HIS A 50 1.869 3.474 4.580 1.00 0.00 C ATOM 771 ND1 HIS A 50 1.937 2.767 5.699 1.00 0.00 N ATOM 772 CD2 HIS A 50 1.360 2.684 3.640 1.00 0.00 C ATOM 773 CE1 HIS A 50 1.464 1.550 5.469 1.00 0.00 C ATOM 774 NE2 HIS A 50 1.093 1.506 4.199 1.00 0.00 N ATOM 0 H HIS A 50 2.344 4.740 1.873 1.00 0.00 H new ATOM 0 HA HIS A 50 4.004 6.095 3.929 1.00 0.00 H new ATOM 0 HB2 HIS A 50 2.543 5.310 5.456 1.00 0.00 H new ATOM 0 HB3 HIS A 50 1.481 5.521 4.078 1.00 0.00 H new ATOM 0 HD2 HIS A 50 1.193 2.950 2.607 1.00 0.00 H new ATOM 0 HE1 HIS A 50 1.394 0.744 6.185 1.00 0.00 H new ATOM 0 HE2 HIS A 50 0.673 0.704 3.728 1.00 0.00 H new ATOM 783 N TRP A 51 5.579 4.259 4.429 1.00 0.00 N ATOM 784 CA TRP A 51 6.592 3.230 4.698 1.00 0.00 C ATOM 785 C TRP A 51 5.902 1.913 5.059 1.00 0.00 C ATOM 786 O TRP A 51 4.823 1.861 5.650 1.00 0.00 O ATOM 787 CB TRP A 51 7.548 3.679 5.816 1.00 0.00 C ATOM 788 CG TRP A 51 8.289 2.560 6.542 1.00 0.00 C ATOM 789 CD1 TRP A 51 9.213 1.732 6.056 1.00 0.00 C ATOM 790 CD2 TRP A 51 8.029 2.176 7.849 1.00 0.00 C ATOM 791 NE1 TRP A 51 9.576 0.846 6.987 1.00 0.00 N ATOM 792 CE2 TRP A 51 8.898 1.102 8.101 1.00 0.00 C ATOM 793 CE3 TRP A 51 7.200 2.713 8.864 1.00 0.00 C ATOM 794 CZ2 TRP A 51 8.957 0.551 9.393 1.00 0.00 C ATOM 795 CZ3 TRP A 51 7.268 2.158 10.155 1.00 0.00 C ATOM 796 CH2 TRP A 51 8.153 1.091 10.407 1.00 0.00 C ATOM 0 H TRP A 51 5.737 5.137 4.923 1.00 0.00 H new ATOM 0 HA TRP A 51 7.190 3.078 3.800 1.00 0.00 H new ATOM 0 HB2 TRP A 51 8.284 4.359 5.388 1.00 0.00 H new ATOM 0 HB3 TRP A 51 6.977 4.248 6.550 1.00 0.00 H new ATOM 0 HD1 TRP A 51 9.611 1.772 5.053 1.00 0.00 H new ATOM 0 HE1 TRP A 51 10.259 0.098 6.864 1.00 0.00 H new ATOM 0 HE3 TRP A 51 6.529 3.532 8.651 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 9.615 -0.280 9.602 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 6.646 2.547 10.948 1.00 0.00 H new ATOM 0 HH2 TRP A 51 8.213 0.680 11.404 1.00 0.00 H new ATOM 807 N PHE A 52 6.546 0.876 4.584 1.00 0.00 N ATOM 808 CA PHE A 52 6.082 -0.498 4.746 1.00 0.00 C ATOM 809 C PHE A 52 7.109 -1.200 5.605 1.00 0.00 C ATOM 810 O PHE A 52 8.195 -1.566 5.153 1.00 0.00 O ATOM 811 CB PHE A 52 6.027 -1.167 3.387 1.00 0.00 C ATOM 812 CG PHE A 52 5.318 -2.510 3.465 1.00 0.00 C ATOM 813 CD1 PHE A 52 4.012 -2.587 4.001 1.00 0.00 C ATOM 814 CD2 PHE A 52 5.972 -3.650 2.976 1.00 0.00 C ATOM 815 CE1 PHE A 52 3.346 -3.827 4.043 1.00 0.00 C ATOM 816 CE2 PHE A 52 5.311 -4.900 3.009 1.00 0.00 C ATOM 817 CZ PHE A 52 4.008 -4.971 3.553 1.00 0.00 C ATOM 0 H PHE A 52 7.421 0.953 4.065 1.00 0.00 H new ATOM 0 HA PHE A 52 5.091 -0.535 5.199 1.00 0.00 H new ATOM 0 HB2 PHE A 52 5.508 -0.519 2.680 1.00 0.00 H new ATOM 0 HB3 PHE A 52 7.039 -1.308 3.007 1.00 0.00 H new ATOM 0 HD1 PHE A 52 3.527 -1.698 4.377 1.00 0.00 H new ATOM 0 HD2 PHE A 52 6.973 -3.574 2.577 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.346 -3.900 4.444 1.00 0.00 H new ATOM 0 HE2 PHE A 52 5.794 -5.786 2.625 1.00 0.00 H new ATOM 0 HZ PHE A 52 3.507 -5.927 3.594 1.00 0.00 H new ATOM 827 N THR A 53 6.692 -1.361 6.854 1.00 0.00 N ATOM 828 CA THR A 53 7.402 -2.176 7.846 1.00 0.00 C ATOM 829 C THR A 53 8.065 -3.419 7.227 1.00 0.00 C ATOM 830 O THR A 53 9.264 -3.651 7.378 1.00 0.00 O ATOM 831 CB THR A 53 6.471 -2.593 8.990 1.00 0.00 C ATOM 832 OG1 THR A 53 5.215 -3.005 8.476 1.00 0.00 O ATOM 833 CG2 THR A 53 6.226 -1.502 10.037 1.00 0.00 C ATOM 0 H THR A 53 5.843 -0.927 7.216 1.00 0.00 H new ATOM 0 HA THR A 53 8.196 -1.545 8.245 1.00 0.00 H new ATOM 0 HB THR A 53 6.988 -3.411 9.492 1.00 0.00 H new ATOM 0 HG1 THR A 53 4.630 -3.270 9.216 1.00 0.00 H new ATOM 0 HG21 THR A 53 5.557 -1.882 10.809 1.00 0.00 H new ATOM 0 HG22 THR A 53 7.174 -1.212 10.489 1.00 0.00 H new ATOM 0 HG23 THR A 53 5.772 -0.634 9.559 1.00 0.00 H new ATOM 841 N ASN A 54 7.309 -4.064 6.335 1.00 0.00 N ATOM 842 CA ASN A 54 7.757 -5.256 5.591 1.00 0.00 C ATOM 843 C ASN A 54 8.315 -6.331 6.541 1.00 0.00 C ATOM 844 O ASN A 54 9.352 -6.947 6.326 1.00 0.00 O ATOM 845 CB ASN A 54 8.780 -4.852 4.515 1.00 0.00 C ATOM 846 CG ASN A 54 9.154 -6.050 3.644 1.00 0.00 C ATOM 847 OD1 ASN A 54 8.346 -6.933 3.354 1.00 0.00 O ATOM 848 ND2 ASN A 54 10.418 -6.155 3.362 1.00 0.00 N ATOM 0 H ASN A 54 6.359 -3.775 6.103 1.00 0.00 H new ATOM 0 HA ASN A 54 6.897 -5.699 5.089 1.00 0.00 H new ATOM 0 HB2 ASN A 54 8.365 -4.059 3.892 1.00 0.00 H new ATOM 0 HB3 ASN A 54 9.674 -4.449 4.990 1.00 0.00 H new ATOM 0 HD21 ASN A 54 10.767 -6.987 2.887 1.00 0.00 H new ATOM 0 HD22 ASN A 54 11.061 -5.405 3.616 1.00 0.00 H new ATOM 855 N GLY A 55 7.643 -6.395 7.681 1.00 0.00 N ATOM 856 CA GLY A 55 8.066 -7.212 8.821 1.00 0.00 C ATOM 857 C GLY A 55 8.938 -6.396 9.778 1.00 0.00 C ATOM 858 O GLY A 55 8.743 -6.484 10.991 1.00 0.00 O ATOM 0 H GLY A 55 6.780 -5.878 7.848 1.00 0.00 H new ATOM 0 HA2 GLY A 55 7.190 -7.588 9.350 1.00 0.00 H new ATOM 0 HA3 GLY A 55 8.621 -8.080 8.466 1.00 0.00 H new ATOM 862 N TYR A 56 9.865 -5.606 9.252 1.00 0.00 N ATOM 863 CA TYR A 56 10.829 -4.823 10.046 1.00 0.00 C ATOM 864 C TYR A 56 10.200 -3.518 10.544 1.00 0.00 C ATOM 865 O TYR A 56 9.281 -2.981 9.960 1.00 0.00 O ATOM 866 CB TYR A 56 12.038 -4.474 9.187 1.00 0.00 C ATOM 867 CG TYR A 56 12.590 -5.603 8.315 1.00 0.00 C ATOM 868 CD1 TYR A 56 12.052 -5.836 7.027 1.00 0.00 C ATOM 869 CD2 TYR A 56 13.627 -6.390 8.840 1.00 0.00 C ATOM 870 CE1 TYR A 56 12.546 -6.902 6.258 1.00 0.00 C ATOM 871 CE2 TYR A 56 14.114 -7.471 8.083 1.00 0.00 C ATOM 872 CZ TYR A 56 13.564 -7.708 6.816 1.00 0.00 C ATOM 873 OH TYR A 56 13.907 -8.860 6.174 1.00 0.00 O ATOM 0 H TYR A 56 9.978 -5.483 8.246 1.00 0.00 H new ATOM 0 HA TYR A 56 11.127 -5.428 10.902 1.00 0.00 H new ATOM 0 HB2 TYR A 56 11.770 -3.640 8.539 1.00 0.00 H new ATOM 0 HB3 TYR A 56 12.836 -4.125 9.843 1.00 0.00 H new ATOM 0 HD1 TYR A 56 11.270 -5.200 6.639 1.00 0.00 H new ATOM 0 HD2 TYR A 56 14.045 -6.169 9.811 1.00 0.00 H new ATOM 0 HE1 TYR A 56 12.159 -7.100 5.269 1.00 0.00 H new ATOM 0 HE2 TYR A 56 14.897 -8.106 8.471 1.00 0.00 H new ATOM 0 HH TYR A 56 14.423 -8.645 5.369 1.00 0.00 H new ATOM 883 N ASP A 57 10.712 -2.971 11.628 1.00 0.00 N ATOM 884 CA ASP A 57 10.153 -1.746 12.235 1.00 0.00 C ATOM 885 C ASP A 57 10.835 -0.534 11.588 1.00 0.00 C ATOM 886 O ASP A 57 11.556 -0.675 10.597 1.00 0.00 O ATOM 887 CB ASP A 57 10.376 -1.804 13.744 1.00 0.00 C ATOM 888 CG ASP A 57 9.085 -1.637 14.550 1.00 0.00 C ATOM 889 OD1 ASP A 57 8.098 -2.321 14.228 1.00 0.00 O ATOM 890 OD2 ASP A 57 9.115 -0.770 15.459 1.00 0.00 O ATOM 0 H ASP A 57 11.521 -3.348 12.122 1.00 0.00 H new ATOM 0 HA ASP A 57 9.080 -1.661 12.063 1.00 0.00 H new ATOM 0 HB2 ASP A 57 10.836 -2.758 14.001 1.00 0.00 H new ATOM 0 HB3 ASP A 57 11.080 -1.023 14.031 1.00 0.00 H new ATOM 895 N GLY A 58 10.655 0.624 12.214 1.00 0.00 N ATOM 896 CA GLY A 58 11.304 1.899 11.799 1.00 0.00 C ATOM 897 C GLY A 58 12.836 1.778 11.759 1.00 0.00 C ATOM 898 O GLY A 58 13.521 2.566 11.130 1.00 0.00 O ATOM 0 H GLY A 58 10.053 0.723 13.032 1.00 0.00 H new ATOM 0 HA2 GLY A 58 10.937 2.189 10.814 1.00 0.00 H new ATOM 0 HA3 GLY A 58 11.021 2.692 12.491 1.00 0.00 H new ATOM 1029 N THR A 67 9.336 -12.085 10.764 1.00 0.00 N ATOM 1030 CA THR A 67 8.410 -12.506 9.678 1.00 0.00 C ATOM 1031 C THR A 67 8.439 -11.534 8.481 1.00 0.00 C ATOM 1032 O THR A 67 7.428 -10.918 8.145 1.00 0.00 O ATOM 1033 CB THR A 67 7.028 -12.813 10.297 1.00 0.00 C ATOM 1034 OG1 THR A 67 7.206 -14.014 11.057 1.00 0.00 O ATOM 1035 CG2 THR A 67 5.843 -13.003 9.349 1.00 0.00 C ATOM 0 HA THR A 67 8.740 -13.437 9.216 1.00 0.00 H new ATOM 0 HB THR A 67 6.745 -11.927 10.865 1.00 0.00 H new ATOM 0 HG1 THR A 67 8.100 -14.017 11.459 1.00 0.00 H new ATOM 0 HG21 THR A 67 4.943 -13.212 9.928 1.00 0.00 H new ATOM 0 HG22 THR A 67 5.696 -12.095 8.764 1.00 0.00 H new ATOM 0 HG23 THR A 67 6.044 -13.838 8.678 1.00 0.00 H new ATOM 1043 N PRO A 68 9.610 -11.333 7.852 1.00 0.00 N ATOM 1044 CA PRO A 68 9.706 -10.417 6.724 1.00 0.00 C ATOM 1045 C PRO A 68 9.172 -11.093 5.465 1.00 0.00 C ATOM 1046 O PRO A 68 9.334 -12.296 5.262 1.00 0.00 O ATOM 1047 CB PRO A 68 11.188 -10.099 6.577 1.00 0.00 C ATOM 1048 CG PRO A 68 11.957 -11.161 7.368 1.00 0.00 C ATOM 1049 CD PRO A 68 10.918 -11.967 8.136 1.00 0.00 C ATOM 0 HA PRO A 68 9.121 -9.510 6.879 1.00 0.00 H new ATOM 0 HB2 PRO A 68 11.482 -10.112 5.528 1.00 0.00 H new ATOM 0 HB3 PRO A 68 11.407 -9.101 6.957 1.00 0.00 H new ATOM 0 HG2 PRO A 68 12.529 -11.804 6.699 1.00 0.00 H new ATOM 0 HG3 PRO A 68 12.669 -10.696 8.050 1.00 0.00 H new ATOM 0 HD2 PRO A 68 10.922 -13.010 7.819 1.00 0.00 H new ATOM 0 HD3 PRO A 68 11.131 -11.958 9.205 1.00 0.00 H new ATOM 1057 N ILE A 69 8.489 -10.286 4.672 1.00 0.00 N ATOM 1058 CA ILE A 69 7.946 -10.771 3.384 1.00 0.00 C ATOM 1059 C ILE A 69 9.095 -10.972 2.398 1.00 0.00 C ATOM 1060 O ILE A 69 9.833 -10.038 2.046 1.00 0.00 O ATOM 1061 CB ILE A 69 6.819 -9.859 2.872 1.00 0.00 C ATOM 1062 CG1 ILE A 69 5.652 -9.898 3.881 1.00 0.00 C ATOM 1063 CG2 ILE A 69 6.409 -10.291 1.460 1.00 0.00 C ATOM 1064 CD1 ILE A 69 4.418 -9.060 3.531 1.00 0.00 C ATOM 0 H ILE A 69 8.292 -9.307 4.878 1.00 0.00 H new ATOM 0 HA ILE A 69 7.470 -11.743 3.517 1.00 0.00 H new ATOM 0 HB ILE A 69 7.153 -8.824 2.797 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.338 -10.935 4.000 1.00 0.00 H new ATOM 0 HG13 ILE A 69 6.027 -9.566 4.849 1.00 0.00 H new ATOM 0 HG21 ILE A 69 5.610 -9.643 1.099 1.00 0.00 H new ATOM 0 HG22 ILE A 69 7.267 -10.215 0.793 1.00 0.00 H new ATOM 0 HG23 ILE A 69 6.057 -11.323 1.483 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.669 -9.170 4.315 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.703 -8.011 3.446 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.003 -9.402 2.583 1.00 0.00 H new ATOM 1076 N LYS A 70 9.210 -12.214 1.946 1.00 0.00 N ATOM 1077 CA LYS A 70 10.240 -12.584 0.959 1.00 0.00 C ATOM 1078 C LYS A 70 9.704 -12.245 -0.432 1.00 0.00 C ATOM 1079 O LYS A 70 8.736 -12.832 -0.891 1.00 0.00 O ATOM 1080 CB LYS A 70 10.553 -14.078 1.040 1.00 0.00 C ATOM 1081 CG LYS A 70 11.799 -14.423 0.217 1.00 0.00 C ATOM 1082 CD LYS A 70 11.565 -15.684 -0.609 1.00 0.00 C ATOM 1083 CE LYS A 70 12.887 -16.256 -1.102 1.00 0.00 C ATOM 1084 NZ LYS A 70 12.653 -17.184 -2.209 1.00 0.00 N ATOM 0 H LYS A 70 8.611 -12.985 2.240 1.00 0.00 H new ATOM 0 HA LYS A 70 11.159 -12.035 1.163 1.00 0.00 H new ATOM 0 HB2 LYS A 70 10.709 -14.365 2.080 1.00 0.00 H new ATOM 0 HB3 LYS A 70 9.701 -14.652 0.675 1.00 0.00 H new ATOM 0 HG2 LYS A 70 12.048 -13.591 -0.442 1.00 0.00 H new ATOM 0 HG3 LYS A 70 12.651 -14.570 0.881 1.00 0.00 H new ATOM 0 HD2 LYS A 70 11.043 -16.428 -0.007 1.00 0.00 H new ATOM 0 HD3 LYS A 70 10.923 -15.454 -1.459 1.00 0.00 H new ATOM 0 HE2 LYS A 70 13.543 -15.448 -1.427 1.00 0.00 H new ATOM 0 HE3 LYS A 70 13.396 -16.771 -0.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 13.562 -17.568 -2.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 12.044 -17.963 -1.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 12.187 -16.681 -2.991 1.00 0.00 H new ATOM 1098 N PHE A 71 10.359 -11.270 -1.041 1.00 0.00 N ATOM 1099 CA PHE A 71 10.013 -10.807 -2.397 1.00 0.00 C ATOM 1100 C PHE A 71 10.839 -11.497 -3.490 1.00 0.00 C ATOM 1101 O PHE A 71 10.405 -11.656 -4.619 1.00 0.00 O ATOM 1102 CB PHE A 71 10.240 -9.301 -2.457 1.00 0.00 C ATOM 1103 CG PHE A 71 9.257 -8.449 -1.652 1.00 0.00 C ATOM 1104 CD1 PHE A 71 7.970 -8.225 -2.168 1.00 0.00 C ATOM 1105 CD2 PHE A 71 9.635 -7.946 -0.387 1.00 0.00 C ATOM 1106 CE1 PHE A 71 7.011 -7.529 -1.400 1.00 0.00 C ATOM 1107 CE2 PHE A 71 8.683 -7.239 0.382 1.00 0.00 C ATOM 1108 CZ PHE A 71 7.384 -7.058 -0.125 1.00 0.00 C ATOM 0 H PHE A 71 11.144 -10.772 -0.621 1.00 0.00 H new ATOM 0 HA PHE A 71 8.970 -11.061 -2.587 1.00 0.00 H new ATOM 0 HB2 PHE A 71 11.249 -9.090 -2.103 1.00 0.00 H new ATOM 0 HB3 PHE A 71 10.195 -8.987 -3.500 1.00 0.00 H new ATOM 0 HD1 PHE A 71 7.714 -8.585 -3.153 1.00 0.00 H new ATOM 0 HD2 PHE A 71 10.637 -8.099 -0.013 1.00 0.00 H new ATOM 0 HE1 PHE A 71 6.014 -7.361 -1.781 1.00 0.00 H new ATOM 0 HE2 PHE A 71 8.951 -6.842 1.350 1.00 0.00 H new ATOM 0 HZ PHE A 71 6.652 -6.544 0.479 1.00 0.00 H new ATOM 1118 N GLY A 72 12.077 -11.824 -3.103 1.00 0.00 N ATOM 1119 CA GLY A 72 13.073 -12.477 -3.980 1.00 0.00 C ATOM 1120 C GLY A 72 14.251 -11.549 -4.291 1.00 0.00 C ATOM 1121 O GLY A 72 14.963 -11.725 -5.280 1.00 0.00 O ATOM 0 H GLY A 72 12.426 -11.643 -2.162 1.00 0.00 H new ATOM 0 HA2 GLY A 72 13.441 -13.384 -3.500 1.00 0.00 H new ATOM 0 HA3 GLY A 72 12.594 -12.781 -4.911 1.00 0.00 H new ATOM 1125 N LYS A 73 14.444 -10.548 -3.430 1.00 0.00 N ATOM 1126 CA LYS A 73 15.565 -9.613 -3.539 1.00 0.00 C ATOM 1127 C LYS A 73 16.340 -9.579 -2.220 1.00 0.00 C ATOM 1128 O LYS A 73 15.946 -10.165 -1.217 1.00 0.00 O ATOM 1129 CB LYS A 73 15.096 -8.227 -3.989 1.00 0.00 C ATOM 1130 CG LYS A 73 14.562 -8.304 -5.419 1.00 0.00 C ATOM 1131 CD LYS A 73 14.274 -6.933 -6.046 1.00 0.00 C ATOM 1132 CE LYS A 73 15.186 -6.681 -7.242 1.00 0.00 C ATOM 1133 NZ LYS A 73 16.463 -6.144 -6.767 1.00 0.00 N ATOM 0 H LYS A 73 13.828 -10.363 -2.638 1.00 0.00 H new ATOM 0 HA LYS A 73 16.248 -9.962 -4.314 1.00 0.00 H new ATOM 0 HB2 LYS A 73 14.318 -7.860 -3.319 1.00 0.00 H new ATOM 0 HB3 LYS A 73 15.922 -7.518 -3.937 1.00 0.00 H new ATOM 0 HG2 LYS A 73 15.286 -8.832 -6.040 1.00 0.00 H new ATOM 0 HG3 LYS A 73 13.646 -8.895 -5.424 1.00 0.00 H new ATOM 0 HD2 LYS A 73 13.232 -6.884 -6.361 1.00 0.00 H new ATOM 0 HD3 LYS A 73 14.419 -6.150 -5.301 1.00 0.00 H new ATOM 0 HE2 LYS A 73 15.349 -7.608 -7.792 1.00 0.00 H new ATOM 0 HE3 LYS A 73 14.716 -5.980 -7.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 17.090 -5.970 -7.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 16.297 -5.251 -6.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 16.910 -6.829 -6.125 1.00 0.00 H new ATOM 1147 N SER A 74 17.415 -8.802 -2.243 1.00 0.00 N ATOM 1148 CA SER A 74 18.301 -8.647 -1.081 1.00 0.00 C ATOM 1149 C SER A 74 18.191 -7.238 -0.484 1.00 0.00 C ATOM 1150 O SER A 74 18.366 -7.062 0.717 1.00 0.00 O ATOM 1151 CB SER A 74 19.745 -8.941 -1.479 1.00 0.00 C ATOM 1152 OG SER A 74 20.437 -9.428 -0.333 1.00 0.00 O ATOM 0 H SER A 74 17.702 -8.262 -3.059 1.00 0.00 H new ATOM 0 HA SER A 74 17.989 -9.361 -0.319 1.00 0.00 H new ATOM 0 HB2 SER A 74 19.775 -9.678 -2.282 1.00 0.00 H new ATOM 0 HB3 SER A 74 20.225 -8.039 -1.857 1.00 0.00 H new ATOM 0 HG SER A 74 21.367 -9.624 -0.571 1.00 0.00 H new ATOM 1158 N ASP A 75 17.673 -6.304 -1.284 1.00 0.00 N ATOM 1159 CA ASP A 75 17.436 -4.900 -0.892 1.00 0.00 C ATOM 1160 C ASP A 75 16.040 -4.719 -0.290 1.00 0.00 C ATOM 1161 O ASP A 75 15.854 -3.998 0.674 1.00 0.00 O ATOM 1162 CB ASP A 75 17.569 -3.947 -2.088 1.00 0.00 C ATOM 1163 CG ASP A 75 18.986 -3.874 -2.647 1.00 0.00 C ATOM 1164 OD1 ASP A 75 19.494 -4.940 -3.052 1.00 0.00 O ATOM 1165 OD2 ASP A 75 19.476 -2.728 -2.764 1.00 0.00 O ATOM 0 H ASP A 75 17.398 -6.500 -2.246 1.00 0.00 H new ATOM 0 HA ASP A 75 18.195 -4.658 -0.148 1.00 0.00 H new ATOM 0 HB2 ASP A 75 16.891 -4.270 -2.878 1.00 0.00 H new ATOM 0 HB3 ASP A 75 17.254 -2.949 -1.785 1.00 0.00 H new ATOM 1170 N CYS A 76 15.095 -5.472 -0.844 1.00 0.00 N ATOM 1171 CA CYS A 76 13.709 -5.481 -0.341 1.00 0.00 C ATOM 1172 C CYS A 76 13.612 -6.250 0.987 1.00 0.00 C ATOM 1173 O CYS A 76 12.857 -5.887 1.875 1.00 0.00 O ATOM 1174 CB CYS A 76 12.781 -6.142 -1.346 1.00 0.00 C ATOM 1175 SG CYS A 76 12.924 -5.491 -3.042 1.00 0.00 S ATOM 0 H CYS A 76 15.255 -6.087 -1.642 1.00 0.00 H new ATOM 0 HA CYS A 76 13.412 -4.444 -0.186 1.00 0.00 H new ATOM 0 HB2 CYS A 76 12.986 -7.213 -1.362 1.00 0.00 H new ATOM 0 HB3 CYS A 76 11.752 -6.019 -1.008 1.00 0.00 H new ATOM 1180 N ASP A 77 14.448 -7.280 1.110 1.00 0.00 N ATOM 1181 CA ASP A 77 14.596 -8.033 2.364 1.00 0.00 C ATOM 1182 C ASP A 77 15.519 -7.292 3.345 1.00 0.00 C ATOM 1183 O ASP A 77 15.554 -7.640 4.517 1.00 0.00 O ATOM 1184 CB ASP A 77 15.128 -9.440 2.067 1.00 0.00 C ATOM 1185 CG ASP A 77 15.389 -10.262 3.337 1.00 0.00 C ATOM 1186 OD1 ASP A 77 14.392 -10.789 3.867 1.00 0.00 O ATOM 1187 OD2 ASP A 77 16.569 -10.309 3.737 1.00 0.00 O ATOM 0 H ASP A 77 15.040 -7.618 0.351 1.00 0.00 H new ATOM 0 HA ASP A 77 13.618 -8.121 2.836 1.00 0.00 H new ATOM 0 HB2 ASP A 77 14.411 -9.969 1.439 1.00 0.00 H new ATOM 0 HB3 ASP A 77 16.053 -9.360 1.496 1.00 0.00 H new ATOM 1192 N ARG A 78 16.318 -6.350 2.858 1.00 0.00 N ATOM 1193 CA ARG A 78 17.240 -5.563 3.682 1.00 0.00 C ATOM 1194 C ARG A 78 16.513 -4.785 4.800 1.00 0.00 C ATOM 1195 O ARG A 78 15.293 -4.643 4.729 1.00 0.00 O ATOM 1196 CB ARG A 78 18.048 -4.614 2.788 1.00 0.00 C ATOM 1197 CG ARG A 78 19.488 -5.106 2.661 1.00 0.00 C ATOM 1198 CD ARG A 78 20.442 -3.979 3.019 1.00 0.00 C ATOM 1199 NE ARG A 78 21.451 -3.824 1.957 1.00 0.00 N ATOM 1200 CZ ARG A 78 22.446 -2.946 1.957 1.00 0.00 C ATOM 1201 NH1 ARG A 78 22.654 -2.134 2.998 1.00 0.00 N ATOM 1202 NH2 ARG A 78 23.267 -2.884 0.929 1.00 0.00 N ATOM 0 H ARG A 78 16.347 -6.105 1.868 1.00 0.00 H new ATOM 0 HA ARG A 78 17.918 -6.256 4.180 1.00 0.00 H new ATOM 0 HB2 ARG A 78 17.589 -4.553 1.801 1.00 0.00 H new ATOM 0 HB3 ARG A 78 18.035 -3.608 3.208 1.00 0.00 H new ATOM 0 HG2 ARG A 78 19.652 -5.959 3.320 1.00 0.00 H new ATOM 0 HG3 ARG A 78 19.678 -5.448 1.644 1.00 0.00 H new ATOM 0 HD2 ARG A 78 19.889 -3.048 3.146 1.00 0.00 H new ATOM 0 HD3 ARG A 78 20.931 -4.192 3.970 1.00 0.00 H new ATOM 0 HE ARG A 78 21.379 -4.446 1.152 1.00 0.00 H new ATOM 0 HH11 ARG A 78 22.042 -2.182 3.813 1.00 0.00 H new ATOM 0 HH12 ARG A 78 23.425 -1.466 2.978 1.00 0.00 H new ATOM 0 HH21 ARG A 78 23.137 -3.510 0.134 1.00 0.00 H new ATOM 0 HH22 ARG A 78 24.032 -2.210 0.927 1.00 0.00 H new ATOM 1216 N PRO A 79 17.241 -4.359 5.847 1.00 0.00 N ATOM 1217 CA PRO A 79 16.653 -3.578 6.949 1.00 0.00 C ATOM 1218 C PRO A 79 16.251 -2.171 6.479 1.00 0.00 C ATOM 1219 O PRO A 79 17.095 -1.402 6.044 1.00 0.00 O ATOM 1220 CB PRO A 79 17.700 -3.576 8.058 1.00 0.00 C ATOM 1221 CG PRO A 79 19.027 -3.775 7.333 1.00 0.00 C ATOM 1222 CD PRO A 79 18.657 -4.663 6.148 1.00 0.00 C ATOM 0 HA PRO A 79 15.724 -4.014 7.317 1.00 0.00 H new ATOM 0 HB2 PRO A 79 17.688 -2.638 8.613 1.00 0.00 H new ATOM 0 HB3 PRO A 79 17.517 -4.374 8.777 1.00 0.00 H new ATOM 0 HG2 PRO A 79 19.452 -2.826 7.006 1.00 0.00 H new ATOM 0 HG3 PRO A 79 19.768 -4.251 7.975 1.00 0.00 H new ATOM 0 HD2 PRO A 79 19.294 -4.454 5.288 1.00 0.00 H new ATOM 0 HD3 PRO A 79 18.788 -5.717 6.393 1.00 0.00 H new ATOM 1230 N PRO A 80 14.944 -1.875 6.503 1.00 0.00 N ATOM 1231 CA PRO A 80 14.405 -0.576 6.092 1.00 0.00 C ATOM 1232 C PRO A 80 14.705 0.476 7.151 1.00 0.00 C ATOM 1233 O PRO A 80 14.033 0.576 8.171 1.00 0.00 O ATOM 1234 CB PRO A 80 12.905 -0.820 5.878 1.00 0.00 C ATOM 1235 CG PRO A 80 12.548 -2.025 6.727 1.00 0.00 C ATOM 1236 CD PRO A 80 13.868 -2.795 6.863 1.00 0.00 C ATOM 0 HA PRO A 80 14.856 -0.189 5.178 1.00 0.00 H new ATOM 0 HB2 PRO A 80 12.322 0.052 6.175 1.00 0.00 H new ATOM 0 HB3 PRO A 80 12.687 -1.006 4.826 1.00 0.00 H new ATOM 0 HG2 PRO A 80 12.160 -1.725 7.700 1.00 0.00 H new ATOM 0 HG3 PRO A 80 11.779 -2.634 6.251 1.00 0.00 H new ATOM 0 HD2 PRO A 80 13.998 -3.159 7.882 1.00 0.00 H new ATOM 0 HD3 PRO A 80 13.873 -3.668 6.210 1.00 0.00 H new ATOM 1244 N LYS A 81 15.778 1.212 6.886 1.00 0.00 N ATOM 1245 CA LYS A 81 16.238 2.264 7.807 1.00 0.00 C ATOM 1246 C LYS A 81 15.383 3.535 7.626 1.00 0.00 C ATOM 1247 O LYS A 81 15.722 4.464 6.888 1.00 0.00 O ATOM 1248 CB LYS A 81 17.738 2.481 7.602 1.00 0.00 C ATOM 1249 CG LYS A 81 18.436 2.806 8.921 1.00 0.00 C ATOM 1250 CD LYS A 81 19.864 2.265 8.845 1.00 0.00 C ATOM 1251 CE LYS A 81 20.876 3.144 9.581 1.00 0.00 C ATOM 1252 NZ LYS A 81 21.034 2.766 10.995 1.00 0.00 N ATOM 0 H LYS A 81 16.349 1.107 6.047 1.00 0.00 H new ATOM 0 HA LYS A 81 16.103 1.966 8.847 1.00 0.00 H new ATOM 0 HB2 LYS A 81 18.181 1.586 7.164 1.00 0.00 H new ATOM 0 HB3 LYS A 81 17.897 3.294 6.894 1.00 0.00 H new ATOM 0 HG2 LYS A 81 18.445 3.882 9.092 1.00 0.00 H new ATOM 0 HG3 LYS A 81 17.901 2.354 9.757 1.00 0.00 H new ATOM 0 HD2 LYS A 81 19.889 1.260 9.267 1.00 0.00 H new ATOM 0 HD3 LYS A 81 20.159 2.179 7.799 1.00 0.00 H new ATOM 0 HE2 LYS A 81 21.842 3.076 9.081 1.00 0.00 H new ATOM 0 HE3 LYS A 81 20.559 4.185 9.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 21.730 3.393 11.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 20.120 2.856 11.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 21.363 1.781 11.056 1.00 0.00 H new ATOM 1266 N HIS A 82 14.179 3.416 8.153 1.00 0.00 N ATOM 1267 CA HIS A 82 13.171 4.493 8.119 1.00 0.00 C ATOM 1268 C HIS A 82 13.471 5.515 9.224 1.00 0.00 C ATOM 1269 O HIS A 82 13.784 5.174 10.363 1.00 0.00 O ATOM 1270 CB HIS A 82 11.770 3.877 8.229 1.00 0.00 C ATOM 1271 CG HIS A 82 10.651 4.888 8.495 1.00 0.00 C ATOM 1272 ND1 HIS A 82 10.198 5.240 9.697 1.00 0.00 N ATOM 1273 CD2 HIS A 82 10.014 5.631 7.606 1.00 0.00 C ATOM 1274 CE1 HIS A 82 9.295 6.196 9.551 1.00 0.00 C ATOM 1275 NE2 HIS A 82 9.202 6.461 8.269 1.00 0.00 N ATOM 0 H HIS A 82 13.858 2.570 8.623 1.00 0.00 H new ATOM 0 HA HIS A 82 13.211 5.033 7.173 1.00 0.00 H new ATOM 0 HB2 HIS A 82 11.548 3.343 7.305 1.00 0.00 H new ATOM 0 HB3 HIS A 82 11.773 3.139 9.031 1.00 0.00 H new ATOM 0 HD2 HIS A 82 10.129 5.577 6.534 1.00 0.00 H new ATOM 0 HE1 HIS A 82 8.736 6.672 10.343 1.00 0.00 H new ATOM 0 HE2 HIS A 82 8.611 7.178 7.850 1.00 0.00 H new ATOM 1284 N SER A 83 13.395 6.772 8.827 1.00 0.00 N ATOM 1285 CA SER A 83 13.670 7.907 9.741 1.00 0.00 C ATOM 1286 C SER A 83 12.378 8.428 10.369 1.00 0.00 C ATOM 1287 O SER A 83 11.445 7.682 10.587 1.00 0.00 O ATOM 1288 CB SER A 83 14.389 9.023 8.973 1.00 0.00 C ATOM 1289 OG SER A 83 15.609 8.540 8.445 1.00 0.00 O ATOM 0 H SER A 83 13.146 7.051 7.878 1.00 0.00 H new ATOM 0 HA SER A 83 14.314 7.560 10.549 1.00 0.00 H new ATOM 0 HB2 SER A 83 13.753 9.388 8.166 1.00 0.00 H new ATOM 0 HB3 SER A 83 14.579 9.867 9.636 1.00 0.00 H new ATOM 0 HG SER A 83 15.446 8.124 7.573 1.00 0.00 H new ATOM 1295 N LYS A 84 12.302 9.726 10.663 1.00 0.00 N ATOM 1296 CA LYS A 84 11.069 10.352 11.169 1.00 0.00 C ATOM 1297 C LYS A 84 9.950 10.415 10.128 1.00 0.00 C ATOM 1298 O LYS A 84 8.940 9.737 10.235 1.00 0.00 O ATOM 1299 CB LYS A 84 11.384 11.739 11.747 1.00 0.00 C ATOM 1300 CG LYS A 84 11.731 11.580 13.225 1.00 0.00 C ATOM 1301 CD LYS A 84 13.091 12.182 13.593 1.00 0.00 C ATOM 1302 CE LYS A 84 13.010 13.640 14.067 1.00 0.00 C ATOM 1303 NZ LYS A 84 12.635 14.553 12.983 1.00 0.00 N ATOM 0 H LYS A 84 13.084 10.373 10.560 1.00 0.00 H new ATOM 0 HA LYS A 84 10.687 9.713 11.965 1.00 0.00 H new ATOM 0 HB2 LYS A 84 12.216 12.193 11.209 1.00 0.00 H new ATOM 0 HB3 LYS A 84 10.527 12.402 11.628 1.00 0.00 H new ATOM 0 HG2 LYS A 84 10.956 12.055 13.827 1.00 0.00 H new ATOM 0 HG3 LYS A 84 11.729 10.520 13.480 1.00 0.00 H new ATOM 0 HD2 LYS A 84 13.546 11.578 14.378 1.00 0.00 H new ATOM 0 HD3 LYS A 84 13.750 12.127 12.726 1.00 0.00 H new ATOM 0 HE2 LYS A 84 12.282 13.718 14.874 1.00 0.00 H new ATOM 0 HE3 LYS A 84 13.974 13.941 14.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 12.592 15.526 13.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 13.343 14.499 12.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 11.703 14.283 12.608 1.00 0.00 H new ATOM 1317 N ASP A 85 10.267 11.084 9.031 1.00 0.00 N ATOM 1318 CA ASP A 85 9.355 11.209 7.866 1.00 0.00 C ATOM 1319 C ASP A 85 9.743 10.243 6.735 1.00 0.00 C ATOM 1320 O ASP A 85 9.416 10.464 5.565 1.00 0.00 O ATOM 1321 CB ASP A 85 9.273 12.657 7.360 1.00 0.00 C ATOM 1322 CG ASP A 85 10.359 13.606 7.861 1.00 0.00 C ATOM 1323 OD1 ASP A 85 11.555 13.296 7.616 1.00 0.00 O ATOM 1324 OD2 ASP A 85 10.005 14.486 8.673 1.00 0.00 O ATOM 0 H ASP A 85 11.160 11.562 8.906 1.00 0.00 H new ATOM 0 HA ASP A 85 8.360 10.927 8.209 1.00 0.00 H new ATOM 0 HB2 ASP A 85 9.306 12.642 6.271 1.00 0.00 H new ATOM 0 HB3 ASP A 85 8.303 13.065 7.644 1.00 0.00 H new ATOM 1329 N GLY A 86 10.529 9.228 7.089 1.00 0.00 N ATOM 1330 CA GLY A 86 11.099 8.267 6.126 1.00 0.00 C ATOM 1331 C GLY A 86 11.795 8.946 4.960 1.00 0.00 C ATOM 1332 O GLY A 86 11.508 8.708 3.788 1.00 0.00 O ATOM 0 H GLY A 86 10.794 9.042 8.056 1.00 0.00 H new ATOM 0 HA2 GLY A 86 11.810 7.621 6.642 1.00 0.00 H new ATOM 0 HA3 GLY A 86 10.304 7.626 5.745 1.00 0.00 H new ATOM 1336 N ASN A 87 12.621 9.907 5.332 1.00 0.00 N ATOM 1337 CA ASN A 87 13.388 10.715 4.369 1.00 0.00 C ATOM 1338 C ASN A 87 14.617 11.293 5.057 1.00 0.00 C ATOM 1339 O ASN A 87 14.597 12.370 5.661 1.00 0.00 O ATOM 1340 CB ASN A 87 12.498 11.815 3.764 1.00 0.00 C ATOM 1341 CG ASN A 87 13.327 12.808 2.947 1.00 0.00 C ATOM 1342 OD1 ASN A 87 14.421 12.523 2.464 1.00 0.00 O ATOM 1343 ND2 ASN A 87 12.879 14.035 2.924 1.00 0.00 N ATOM 0 H ASN A 87 12.787 10.158 6.307 1.00 0.00 H new ATOM 0 HA ASN A 87 13.725 10.085 3.546 1.00 0.00 H new ATOM 0 HB2 ASN A 87 11.737 11.362 3.128 1.00 0.00 H new ATOM 0 HB3 ASN A 87 11.975 12.343 4.561 1.00 0.00 H new ATOM 0 HD21 ASN A 87 13.439 14.775 2.500 1.00 0.00 H new ATOM 0 HD22 ASN A 87 11.969 14.253 3.330 1.00 0.00 H new ATOM 1350 N GLY A 88 15.643 10.456 5.067 1.00 0.00 N ATOM 1351 CA GLY A 88 16.944 10.790 5.662 1.00 0.00 C ATOM 1352 C GLY A 88 17.900 11.282 4.586 1.00 0.00 C ATOM 1353 O GLY A 88 17.489 11.704 3.504 1.00 0.00 O ATOM 0 H GLY A 88 15.605 9.520 4.663 1.00 0.00 H new ATOM 0 HA2 GLY A 88 16.817 11.558 6.425 1.00 0.00 H new ATOM 0 HA3 GLY A 88 17.362 9.914 6.158 1.00 0.00 H new ATOM 1357 N LYS A 89 19.162 10.999 4.843 1.00 0.00 N ATOM 1358 CA LYS A 89 20.239 11.316 3.875 1.00 0.00 C ATOM 1359 C LYS A 89 20.171 10.353 2.674 1.00 0.00 C ATOM 1360 O LYS A 89 20.424 10.734 1.537 1.00 0.00 O ATOM 1361 CB LYS A 89 21.610 11.252 4.554 1.00 0.00 C ATOM 1362 CG LYS A 89 22.766 11.586 3.601 1.00 0.00 C ATOM 1363 CD LYS A 89 22.993 13.089 3.440 1.00 0.00 C ATOM 1364 CE LYS A 89 24.172 13.508 4.306 1.00 0.00 C ATOM 1365 NZ LYS A 89 24.155 14.961 4.536 1.00 0.00 N ATOM 0 H LYS A 89 19.484 10.553 5.702 1.00 0.00 H new ATOM 0 HA LYS A 89 20.095 12.333 3.509 1.00 0.00 H new ATOM 0 HB2 LYS A 89 21.626 11.946 5.394 1.00 0.00 H new ATOM 0 HB3 LYS A 89 21.761 10.253 4.963 1.00 0.00 H new ATOM 0 HG2 LYS A 89 23.681 11.124 3.972 1.00 0.00 H new ATOM 0 HG3 LYS A 89 22.562 11.148 2.624 1.00 0.00 H new ATOM 0 HD2 LYS A 89 23.189 13.330 2.395 1.00 0.00 H new ATOM 0 HD3 LYS A 89 22.098 13.638 3.732 1.00 0.00 H new ATOM 0 HE2 LYS A 89 24.134 12.983 5.260 1.00 0.00 H new ATOM 0 HE3 LYS A 89 25.106 13.222 3.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 24.967 15.228 5.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 24.214 15.458 3.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 23.272 15.226 5.018 1.00 0.00 H new ATOM 1379 N THR A 90 19.806 9.109 2.974 1.00 0.00 N ATOM 1380 CA THR A 90 19.803 7.995 2.008 1.00 0.00 C ATOM 1381 C THR A 90 18.849 6.884 2.474 1.00 0.00 C ATOM 1382 O THR A 90 19.115 5.700 2.285 1.00 0.00 O ATOM 1383 CB THR A 90 21.222 7.426 1.878 1.00 0.00 C ATOM 1384 OG1 THR A 90 21.792 7.325 3.188 1.00 0.00 O ATOM 1385 CG2 THR A 90 22.119 8.255 0.943 1.00 0.00 C ATOM 0 H THR A 90 19.498 8.834 3.907 1.00 0.00 H new ATOM 0 HA THR A 90 19.465 8.369 1.042 1.00 0.00 H new ATOM 0 HB THR A 90 21.156 6.440 1.418 1.00 0.00 H new ATOM 0 HG1 THR A 90 22.700 6.961 3.123 1.00 0.00 H new ATOM 0 HG21 THR A 90 23.109 7.802 0.893 1.00 0.00 H new ATOM 0 HG22 THR A 90 21.680 8.280 -0.054 1.00 0.00 H new ATOM 0 HG23 THR A 90 22.204 9.271 1.327 1.00 0.00 H new ATOM 1393 N ASP A 91 17.713 7.303 3.055 1.00 0.00 N ATOM 1394 CA ASP A 91 16.649 6.401 3.540 1.00 0.00 C ATOM 1395 C ASP A 91 16.405 5.277 2.526 1.00 0.00 C ATOM 1396 O ASP A 91 16.214 5.535 1.345 1.00 0.00 O ATOM 1397 CB ASP A 91 15.344 7.160 3.723 1.00 0.00 C ATOM 1398 CG ASP A 91 14.904 7.166 5.182 1.00 0.00 C ATOM 1399 OD1 ASP A 91 15.610 7.895 5.902 1.00 0.00 O ATOM 1400 OD2 ASP A 91 13.822 6.662 5.531 1.00 0.00 O ATOM 0 H ASP A 91 17.503 8.290 3.204 1.00 0.00 H new ATOM 0 HA ASP A 91 16.975 5.987 4.494 1.00 0.00 H new ATOM 0 HB2 ASP A 91 15.466 8.185 3.374 1.00 0.00 H new ATOM 0 HB3 ASP A 91 14.567 6.704 3.109 1.00 0.00 H new ATOM 1405 N HIS A 92 16.702 4.058 2.961 1.00 0.00 N ATOM 1406 CA HIS A 92 16.586 2.896 2.053 1.00 0.00 C ATOM 1407 C HIS A 92 15.546 1.905 2.596 1.00 0.00 C ATOM 1408 O HIS A 92 15.734 0.704 2.763 1.00 0.00 O ATOM 1409 CB HIS A 92 17.975 2.279 1.789 1.00 0.00 C ATOM 1410 CG HIS A 92 18.573 1.533 2.993 1.00 0.00 C ATOM 1411 ND1 HIS A 92 18.405 0.241 3.232 1.00 0.00 N ATOM 1412 CD2 HIS A 92 19.309 2.047 3.967 1.00 0.00 C ATOM 1413 CE1 HIS A 92 19.042 -0.056 4.357 1.00 0.00 C ATOM 1414 NE2 HIS A 92 19.595 1.062 4.806 1.00 0.00 N ATOM 0 H HIS A 92 17.017 3.839 3.906 1.00 0.00 H new ATOM 0 HA HIS A 92 16.217 3.214 1.078 1.00 0.00 H new ATOM 0 HB2 HIS A 92 17.900 1.588 0.949 1.00 0.00 H new ATOM 0 HB3 HIS A 92 18.661 3.071 1.490 1.00 0.00 H new ATOM 0 HD2 HIS A 92 19.619 3.078 4.060 1.00 0.00 H new ATOM 0 HE1 HIS A 92 19.100 -1.029 4.822 1.00 0.00 H new ATOM 0 HE2 HIS A 92 20.150 1.150 5.658 1.00 0.00 H new ATOM 1423 N TYR A 93 14.386 2.480 2.857 1.00 0.00 N ATOM 1424 CA TYR A 93 13.250 1.728 3.393 1.00 0.00 C ATOM 1425 C TYR A 93 12.346 1.206 2.285 1.00 0.00 C ATOM 1426 O TYR A 93 12.382 1.673 1.144 1.00 0.00 O ATOM 1427 CB TYR A 93 12.502 2.588 4.416 1.00 0.00 C ATOM 1428 CG TYR A 93 11.863 3.811 3.767 1.00 0.00 C ATOM 1429 CD1 TYR A 93 12.675 4.922 3.496 1.00 0.00 C ATOM 1430 CD2 TYR A 93 10.488 3.800 3.484 1.00 0.00 C ATOM 1431 CE1 TYR A 93 12.093 6.055 2.905 1.00 0.00 C ATOM 1432 CE2 TYR A 93 9.913 4.958 2.925 1.00 0.00 C ATOM 1433 CZ TYR A 93 10.721 6.068 2.618 1.00 0.00 C ATOM 1434 OH TYR A 93 10.186 7.133 1.959 1.00 0.00 O ATOM 0 H TYR A 93 14.199 3.471 2.708 1.00 0.00 H new ATOM 0 HA TYR A 93 13.621 0.842 3.908 1.00 0.00 H new ATOM 0 HB2 TYR A 93 11.731 1.989 4.900 1.00 0.00 H new ATOM 0 HB3 TYR A 93 13.193 2.909 5.196 1.00 0.00 H new ATOM 0 HD1 TYR A 93 13.728 4.906 3.737 1.00 0.00 H new ATOM 0 HD2 TYR A 93 9.887 2.927 3.689 1.00 0.00 H new ATOM 0 HE1 TYR A 93 12.702 6.916 2.672 1.00 0.00 H new ATOM 0 HE2 TYR A 93 8.851 4.994 2.732 1.00 0.00 H new ATOM 0 HH TYR A 93 10.491 7.964 2.378 1.00 0.00 H new ATOM 1444 N LEU A 94 11.504 0.246 2.664 1.00 0.00 N ATOM 1445 CA LEU A 94 10.495 -0.289 1.742 1.00 0.00 C ATOM 1446 C LEU A 94 9.166 0.424 1.955 1.00 0.00 C ATOM 1447 O LEU A 94 8.687 0.480 3.079 1.00 0.00 O ATOM 1448 CB LEU A 94 10.285 -1.791 1.945 1.00 0.00 C ATOM 1449 CG LEU A 94 11.091 -2.612 0.934 1.00 0.00 C ATOM 1450 CD1 LEU A 94 10.650 -4.059 1.057 1.00 0.00 C ATOM 1451 CD2 LEU A 94 10.724 -2.275 -0.497 1.00 0.00 C ATOM 0 H LEU A 94 11.497 -0.176 3.593 1.00 0.00 H new ATOM 0 HA LEU A 94 10.858 -0.121 0.728 1.00 0.00 H new ATOM 0 HB2 LEU A 94 10.580 -2.067 2.957 1.00 0.00 H new ATOM 0 HB3 LEU A 94 9.226 -2.028 1.846 1.00 0.00 H new ATOM 0 HG LEU A 94 12.144 -2.418 1.136 1.00 0.00 H new ATOM 0 HD11 LEU A 94 11.207 -4.671 0.348 1.00 0.00 H new ATOM 0 HD12 LEU A 94 10.841 -4.413 2.070 1.00 0.00 H new ATOM 0 HD13 LEU A 94 9.584 -4.134 0.842 1.00 0.00 H new ATOM 0 HD21 LEU A 94 11.321 -2.882 -1.178 1.00 0.00 H new ATOM 0 HD22 LEU A 94 9.666 -2.481 -0.660 1.00 0.00 H new ATOM 0 HD23 LEU A 94 10.921 -1.219 -0.684 1.00 0.00 H new ATOM 1463 N LEU A 95 8.773 1.188 0.950 1.00 0.00 N ATOM 1464 CA LEU A 95 7.496 1.943 0.982 1.00 0.00 C ATOM 1465 C LEU A 95 6.351 1.021 0.543 1.00 0.00 C ATOM 1466 O LEU A 95 6.559 -0.124 0.125 1.00 0.00 O ATOM 1467 CB LEU A 95 7.496 3.197 0.090 1.00 0.00 C ATOM 1468 CG LEU A 95 8.860 3.867 -0.012 1.00 0.00 C ATOM 1469 CD1 LEU A 95 9.712 3.244 -1.110 1.00 0.00 C ATOM 1470 CD2 LEU A 95 8.710 5.356 -0.282 1.00 0.00 C ATOM 0 H LEU A 95 9.310 1.313 0.092 1.00 0.00 H new ATOM 0 HA LEU A 95 7.364 2.284 2.009 1.00 0.00 H new ATOM 0 HB2 LEU A 95 7.159 2.923 -0.910 1.00 0.00 H new ATOM 0 HB3 LEU A 95 6.776 3.914 0.484 1.00 0.00 H new ATOM 0 HG LEU A 95 9.360 3.717 0.945 1.00 0.00 H new ATOM 0 HD11 LEU A 95 10.677 3.749 -1.152 1.00 0.00 H new ATOM 0 HD12 LEU A 95 9.865 2.186 -0.896 1.00 0.00 H new ATOM 0 HD13 LEU A 95 9.205 3.351 -2.069 1.00 0.00 H new ATOM 0 HD21 LEU A 95 9.696 5.814 -0.351 1.00 0.00 H new ATOM 0 HD22 LEU A 95 8.175 5.504 -1.220 1.00 0.00 H new ATOM 0 HD23 LEU A 95 8.151 5.819 0.531 1.00 0.00 H new ATOM 1482 N GLU A 96 5.140 1.520 0.723 1.00 0.00 N ATOM 1483 CA GLU A 96 3.900 0.820 0.389 1.00 0.00 C ATOM 1484 C GLU A 96 2.858 1.799 -0.129 1.00 0.00 C ATOM 1485 O GLU A 96 2.505 2.792 0.519 1.00 0.00 O ATOM 1486 CB GLU A 96 3.402 0.089 1.637 1.00 0.00 C ATOM 1487 CG GLU A 96 1.963 -0.354 1.537 1.00 0.00 C ATOM 1488 CD GLU A 96 1.561 -1.521 2.421 1.00 0.00 C ATOM 1489 OE1 GLU A 96 1.159 -1.275 3.578 1.00 0.00 O ATOM 1490 OE2 GLU A 96 1.581 -2.631 1.890 1.00 0.00 O ATOM 0 H GLU A 96 4.982 2.448 1.116 1.00 0.00 H new ATOM 0 HA GLU A 96 4.084 0.094 -0.403 1.00 0.00 H new ATOM 0 HB2 GLU A 96 4.032 -0.783 1.814 1.00 0.00 H new ATOM 0 HB3 GLU A 96 3.514 0.743 2.501 1.00 0.00 H new ATOM 0 HG2 GLU A 96 1.325 0.496 1.779 1.00 0.00 H new ATOM 0 HG3 GLU A 96 1.758 -0.622 0.501 1.00 0.00 H new ATOM 1497 N PHE A 97 2.242 1.355 -1.217 1.00 0.00 N ATOM 1498 CA PHE A 97 1.178 2.119 -1.881 1.00 0.00 C ATOM 1499 C PHE A 97 -0.043 1.225 -2.200 1.00 0.00 C ATOM 1500 O PHE A 97 0.153 0.078 -2.611 1.00 0.00 O ATOM 1501 CB PHE A 97 1.796 2.755 -3.123 1.00 0.00 C ATOM 1502 CG PHE A 97 0.830 3.649 -3.892 1.00 0.00 C ATOM 1503 CD1 PHE A 97 -0.139 3.091 -4.753 1.00 0.00 C ATOM 1504 CD2 PHE A 97 0.889 5.033 -3.666 1.00 0.00 C ATOM 1505 CE1 PHE A 97 -1.099 3.927 -5.359 1.00 0.00 C ATOM 1506 CE2 PHE A 97 -0.054 5.863 -4.301 1.00 0.00 C ATOM 1507 CZ PHE A 97 -1.039 5.312 -5.133 1.00 0.00 C ATOM 0 H PHE A 97 2.458 0.465 -1.665 1.00 0.00 H new ATOM 0 HA PHE A 97 0.788 2.901 -1.229 1.00 0.00 H new ATOM 0 HB2 PHE A 97 2.665 3.343 -2.827 1.00 0.00 H new ATOM 0 HB3 PHE A 97 2.155 1.967 -3.785 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -0.145 2.029 -4.947 1.00 0.00 H new ATOM 0 HD2 PHE A 97 1.643 5.453 -3.017 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -1.870 3.508 -5.989 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -0.019 6.931 -4.146 1.00 0.00 H new ATOM 0 HZ PHE A 97 -1.761 5.961 -5.606 1.00 0.00 H new ATOM 1517 N PRO A 98 -1.262 1.759 -2.065 1.00 0.00 N ATOM 1518 CA PRO A 98 -2.509 1.047 -2.400 1.00 0.00 C ATOM 1519 C PRO A 98 -2.722 0.917 -3.908 1.00 0.00 C ATOM 1520 O PRO A 98 -3.101 1.856 -4.609 1.00 0.00 O ATOM 1521 CB PRO A 98 -3.628 1.821 -1.711 1.00 0.00 C ATOM 1522 CG PRO A 98 -3.085 3.238 -1.683 1.00 0.00 C ATOM 1523 CD PRO A 98 -1.582 3.058 -1.451 1.00 0.00 C ATOM 0 HA PRO A 98 -2.478 0.015 -2.049 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -4.565 1.757 -2.264 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -3.824 1.443 -0.708 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -3.284 3.760 -2.619 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -3.544 3.825 -0.887 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -1.011 3.865 -1.911 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -1.342 3.063 -0.388 1.00 0.00 H new ATOM 1531 N THR A 99 -2.395 -0.273 -4.377 1.00 0.00 N ATOM 1532 CA THR A 99 -2.500 -0.591 -5.814 1.00 0.00 C ATOM 1533 C THR A 99 -3.861 -1.224 -6.122 1.00 0.00 C ATOM 1534 O THR A 99 -4.224 -2.213 -5.513 1.00 0.00 O ATOM 1535 CB THR A 99 -1.353 -1.473 -6.305 1.00 0.00 C ATOM 1536 OG1 THR A 99 -1.506 -1.634 -7.718 1.00 0.00 O ATOM 1537 CG2 THR A 99 -1.241 -2.838 -5.623 1.00 0.00 C ATOM 0 H THR A 99 -2.055 -1.041 -3.798 1.00 0.00 H new ATOM 0 HA THR A 99 -2.420 0.348 -6.361 1.00 0.00 H new ATOM 0 HB THR A 99 -0.424 -0.967 -6.043 1.00 0.00 H new ATOM 0 HG1 THR A 99 -1.448 -2.585 -7.947 1.00 0.00 H new ATOM 0 HG21 THR A 99 -0.397 -3.386 -6.042 1.00 0.00 H new ATOM 0 HG22 THR A 99 -1.088 -2.699 -4.553 1.00 0.00 H new ATOM 0 HG23 THR A 99 -2.158 -3.403 -5.788 1.00 0.00 H new ATOM 1545 N PHE A 100 -4.652 -0.489 -6.894 1.00 0.00 N ATOM 1546 CA PHE A 100 -6.005 -0.907 -7.307 1.00 0.00 C ATOM 1547 C PHE A 100 -5.982 -1.873 -8.510 1.00 0.00 C ATOM 1548 O PHE A 100 -5.052 -1.783 -9.301 1.00 0.00 O ATOM 1549 CB PHE A 100 -6.850 0.338 -7.592 1.00 0.00 C ATOM 1550 CG PHE A 100 -7.317 0.972 -6.285 1.00 0.00 C ATOM 1551 CD1 PHE A 100 -6.369 1.457 -5.340 1.00 0.00 C ATOM 1552 CD2 PHE A 100 -8.695 1.125 -6.044 1.00 0.00 C ATOM 1553 CE1 PHE A 100 -6.824 2.094 -4.169 1.00 0.00 C ATOM 1554 CE2 PHE A 100 -9.153 1.826 -4.913 1.00 0.00 C ATOM 1555 CZ PHE A 100 -8.205 2.313 -3.983 1.00 0.00 C ATOM 0 H PHE A 100 -4.379 0.423 -7.259 1.00 0.00 H new ATOM 0 HA PHE A 100 -6.458 -1.468 -6.490 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -6.267 1.058 -8.165 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -7.712 0.069 -8.202 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -5.311 1.338 -5.519 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -9.409 0.700 -6.734 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -6.118 2.413 -3.416 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -10.209 1.989 -4.758 1.00 0.00 H new ATOM 0 HZ PHE A 100 -8.544 2.861 -3.117 1.00 0.00 H new ATOM 1565 N PRO A 101 -7.000 -2.744 -8.659 1.00 0.00 N ATOM 1566 CA PRO A 101 -7.062 -3.714 -9.768 1.00 0.00 C ATOM 1567 C PRO A 101 -7.448 -3.043 -11.086 1.00 0.00 C ATOM 1568 O PRO A 101 -6.698 -3.139 -12.043 1.00 0.00 O ATOM 1569 CB PRO A 101 -8.057 -4.790 -9.331 1.00 0.00 C ATOM 1570 CG PRO A 101 -8.966 -4.092 -8.307 1.00 0.00 C ATOM 1571 CD PRO A 101 -8.163 -2.921 -7.740 1.00 0.00 C ATOM 0 HA PRO A 101 -6.087 -4.159 -9.967 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -8.631 -5.165 -10.178 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -7.546 -5.645 -8.888 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -9.884 -3.741 -8.779 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -9.259 -4.781 -7.515 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -8.769 -2.016 -7.697 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -7.830 -3.131 -6.723 1.00 0.00 H new ATOM 1579 N ASP A 102 -8.502 -2.209 -11.018 1.00 0.00 N ATOM 1580 CA ASP A 102 -9.001 -1.421 -12.168 1.00 0.00 C ATOM 1581 C ASP A 102 -7.843 -0.738 -12.899 1.00 0.00 C ATOM 1582 O ASP A 102 -7.744 -0.773 -14.128 1.00 0.00 O ATOM 1583 CB ASP A 102 -9.958 -0.330 -11.658 1.00 0.00 C ATOM 1584 CG ASP A 102 -11.243 -0.274 -12.476 1.00 0.00 C ATOM 1585 OD1 ASP A 102 -12.143 -1.064 -12.129 1.00 0.00 O ATOM 1586 OD2 ASP A 102 -11.332 0.618 -13.347 1.00 0.00 O ATOM 0 H ASP A 102 -9.036 -2.060 -10.162 1.00 0.00 H new ATOM 0 HA ASP A 102 -9.513 -2.098 -12.852 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -10.201 -0.520 -10.613 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -9.459 0.638 -11.698 1.00 0.00 H new ATOM 1591 N GLY A 103 -6.947 -0.198 -12.082 1.00 0.00 N ATOM 1592 CA GLY A 103 -5.728 0.463 -12.546 1.00 0.00 C ATOM 1593 C GLY A 103 -5.792 1.978 -12.450 1.00 0.00 C ATOM 1594 O GLY A 103 -4.957 2.692 -12.999 1.00 0.00 O ATOM 0 H GLY A 103 -7.045 -0.205 -11.067 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -4.882 0.104 -11.959 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -5.541 0.179 -13.582 1.00 0.00 H new ATOM 1598 N HIS A 104 -6.740 2.422 -11.639 1.00 0.00 N ATOM 1599 CA HIS A 104 -6.922 3.842 -11.362 1.00 0.00 C ATOM 1600 C HIS A 104 -6.046 4.194 -10.156 1.00 0.00 C ATOM 1601 O HIS A 104 -6.048 3.485 -9.143 1.00 0.00 O ATOM 1602 CB HIS A 104 -8.393 4.196 -11.119 1.00 0.00 C ATOM 1603 CG HIS A 104 -9.008 3.619 -9.839 1.00 0.00 C ATOM 1604 ND1 HIS A 104 -9.833 2.582 -9.765 1.00 0.00 N ATOM 1605 CD2 HIS A 104 -8.896 4.151 -8.622 1.00 0.00 C ATOM 1606 CE1 HIS A 104 -10.234 2.470 -8.516 1.00 0.00 C ATOM 1607 NE2 HIS A 104 -9.634 3.418 -7.799 1.00 0.00 N ATOM 0 H HIS A 104 -7.402 1.814 -11.156 1.00 0.00 H new ATOM 0 HA HIS A 104 -6.620 4.430 -12.229 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -8.487 5.282 -11.089 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -8.978 3.849 -11.971 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -8.312 5.019 -8.355 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -10.930 1.736 -8.138 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -9.726 3.556 -6.793 1.00 0.00 H new ATOM 1616 N ASP A 105 -5.074 5.044 -10.460 1.00 0.00 N ATOM 1617 CA ASP A 105 -4.187 5.612 -9.438 1.00 0.00 C ATOM 1618 C ASP A 105 -4.973 6.354 -8.360 1.00 0.00 C ATOM 1619 O ASP A 105 -5.198 7.561 -8.462 1.00 0.00 O ATOM 1620 CB ASP A 105 -3.117 6.529 -10.063 1.00 0.00 C ATOM 1621 CG ASP A 105 -3.612 7.458 -11.178 1.00 0.00 C ATOM 1622 OD1 ASP A 105 -4.698 8.062 -11.036 1.00 0.00 O ATOM 1623 OD2 ASP A 105 -2.984 7.391 -12.250 1.00 0.00 O ATOM 0 H ASP A 105 -4.875 5.360 -11.409 1.00 0.00 H new ATOM 0 HA ASP A 105 -3.675 4.776 -8.961 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -2.680 7.140 -9.273 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -2.317 5.905 -10.462 1.00 0.00 H new ATOM 1628 N TYR A 106 -5.506 5.578 -7.425 1.00 0.00 N ATOM 1629 CA TYR A 106 -6.295 6.101 -6.292 1.00 0.00 C ATOM 1630 C TYR A 106 -5.678 7.410 -5.831 1.00 0.00 C ATOM 1631 O TYR A 106 -4.458 7.479 -5.680 1.00 0.00 O ATOM 1632 CB TYR A 106 -6.206 5.087 -5.174 1.00 0.00 C ATOM 1633 CG TYR A 106 -6.457 5.614 -3.758 1.00 0.00 C ATOM 1634 CD1 TYR A 106 -7.761 5.901 -3.307 1.00 0.00 C ATOM 1635 CD2 TYR A 106 -5.307 5.855 -2.981 1.00 0.00 C ATOM 1636 CE1 TYR A 106 -7.919 6.474 -2.029 1.00 0.00 C ATOM 1637 CE2 TYR A 106 -5.463 6.411 -1.705 1.00 0.00 C ATOM 1638 CZ TYR A 106 -6.760 6.711 -1.252 1.00 0.00 C ATOM 1639 OH TYR A 106 -6.842 7.265 -0.036 1.00 0.00 O ATOM 0 H TYR A 106 -5.409 4.563 -7.422 1.00 0.00 H new ATOM 0 HA TYR A 106 -7.333 6.270 -6.578 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -6.924 4.292 -5.375 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -5.214 4.635 -5.200 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -8.619 5.687 -3.926 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -4.325 5.616 -3.361 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -8.899 6.726 -1.652 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -4.603 6.606 -1.081 1.00 0.00 H new ATOM 0 HH TYR A 106 -6.019 7.081 0.464 1.00 0.00 H new ATOM 1649 N LYS A 107 -6.545 8.397 -5.680 1.00 0.00 N ATOM 1650 CA LYS A 107 -6.168 9.728 -5.197 1.00 0.00 C ATOM 1651 C LYS A 107 -5.511 9.623 -3.810 1.00 0.00 C ATOM 1652 O LYS A 107 -6.119 9.787 -2.746 1.00 0.00 O ATOM 1653 CB LYS A 107 -7.377 10.674 -5.232 1.00 0.00 C ATOM 1654 CG LYS A 107 -8.549 10.150 -4.391 1.00 0.00 C ATOM 1655 CD LYS A 107 -9.789 9.907 -5.253 1.00 0.00 C ATOM 1656 CE LYS A 107 -10.824 10.977 -4.937 1.00 0.00 C ATOM 1657 NZ LYS A 107 -11.551 11.276 -6.174 1.00 0.00 N ATOM 0 H LYS A 107 -7.539 8.303 -5.889 1.00 0.00 H new ATOM 0 HA LYS A 107 -5.421 10.164 -5.861 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -7.079 11.656 -4.864 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -7.703 10.806 -6.264 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -8.259 9.222 -3.898 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -8.785 10.868 -3.605 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -9.525 9.938 -6.310 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -10.198 8.916 -5.055 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -11.510 10.629 -4.165 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -10.340 11.875 -4.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -12.267 12.007 -5.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -10.884 11.621 -6.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -12.018 10.413 -6.519 1.00 0.00 H new ATOM 1671 N PHE A 108 -4.221 9.339 -3.846 1.00 0.00 N ATOM 1672 CA PHE A 108 -3.403 9.165 -2.644 1.00 0.00 C ATOM 1673 C PHE A 108 -2.977 10.518 -2.044 1.00 0.00 C ATOM 1674 O PHE A 108 -2.345 10.615 -1.006 1.00 0.00 O ATOM 1675 CB PHE A 108 -2.193 8.279 -2.943 1.00 0.00 C ATOM 1676 CG PHE A 108 -1.255 8.930 -3.961 1.00 0.00 C ATOM 1677 CD1 PHE A 108 -0.302 9.852 -3.483 1.00 0.00 C ATOM 1678 CD2 PHE A 108 -1.394 8.665 -5.339 1.00 0.00 C ATOM 1679 CE1 PHE A 108 0.493 10.541 -4.407 1.00 0.00 C ATOM 1680 CE2 PHE A 108 -0.548 9.300 -6.265 1.00 0.00 C ATOM 1681 CZ PHE A 108 0.386 10.249 -5.782 1.00 0.00 C ATOM 0 H PHE A 108 -3.701 9.220 -4.715 1.00 0.00 H new ATOM 0 HA PHE A 108 -4.013 8.664 -1.893 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -1.648 8.083 -2.019 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -2.532 7.316 -3.324 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -0.187 10.024 -2.423 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -2.150 7.975 -5.683 1.00 0.00 H new ATOM 0 HE1 PHE A 108 1.187 11.295 -4.067 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -0.609 9.070 -7.318 1.00 0.00 H new ATOM 0 HZ PHE A 108 1.030 10.760 -6.482 1.00 0.00 H new ATOM 1691 N ASP A 109 -3.205 11.541 -2.858 1.00 0.00 N ATOM 1692 CA ASP A 109 -2.929 12.936 -2.485 1.00 0.00 C ATOM 1693 C ASP A 109 -4.167 13.616 -1.871 1.00 0.00 C ATOM 1694 O ASP A 109 -4.069 14.741 -1.405 1.00 0.00 O ATOM 1695 CB ASP A 109 -2.434 13.701 -3.728 1.00 0.00 C ATOM 1696 CG ASP A 109 -3.491 13.941 -4.809 1.00 0.00 C ATOM 1697 OD1 ASP A 109 -4.475 13.153 -4.861 1.00 0.00 O ATOM 1698 OD2 ASP A 109 -3.278 14.899 -5.584 1.00 0.00 O ATOM 0 H ASP A 109 -3.587 11.434 -3.798 1.00 0.00 H new ATOM 0 HA ASP A 109 -2.153 12.949 -1.719 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -2.039 14.665 -3.408 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -1.605 13.148 -4.169 1.00 0.00 H new ATOM 1703 N SER A 110 -5.309 12.938 -1.932 1.00 0.00 N ATOM 1704 CA SER A 110 -6.579 13.479 -1.431 1.00 0.00 C ATOM 1705 C SER A 110 -6.740 13.139 0.046 1.00 0.00 C ATOM 1706 O SER A 110 -7.045 12.009 0.411 1.00 0.00 O ATOM 1707 CB SER A 110 -7.753 12.889 -2.200 1.00 0.00 C ATOM 1708 OG SER A 110 -8.658 13.941 -2.561 1.00 0.00 O ATOM 0 H SER A 110 -5.386 12.001 -2.328 1.00 0.00 H new ATOM 0 HA SER A 110 -6.566 14.560 -1.567 1.00 0.00 H new ATOM 0 HB2 SER A 110 -7.397 12.377 -3.094 1.00 0.00 H new ATOM 0 HB3 SER A 110 -8.266 12.146 -1.590 1.00 0.00 H new ATOM 0 HG SER A 110 -9.415 13.565 -3.058 1.00 0.00 H new ATOM 1714 N LYS A 111 -6.292 14.088 0.859 1.00 0.00 N ATOM 1715 CA LYS A 111 -6.345 13.959 2.327 1.00 0.00 C ATOM 1716 C LYS A 111 -7.771 13.760 2.819 1.00 0.00 C ATOM 1717 O LYS A 111 -8.130 12.726 3.378 1.00 0.00 O ATOM 1718 CB LYS A 111 -5.687 15.154 3.036 1.00 0.00 C ATOM 1719 CG LYS A 111 -5.053 14.639 4.329 1.00 0.00 C ATOM 1720 CD LYS A 111 -5.063 15.637 5.479 1.00 0.00 C ATOM 1721 CE LYS A 111 -4.809 14.843 6.761 1.00 0.00 C ATOM 1722 NZ LYS A 111 -4.547 15.782 7.848 1.00 0.00 N ATOM 0 H LYS A 111 -5.884 14.964 0.533 1.00 0.00 H new ATOM 0 HA LYS A 111 -5.771 13.069 2.583 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -4.932 15.610 2.395 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -6.427 15.924 3.254 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -5.579 13.737 4.643 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -4.022 14.351 4.124 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -4.294 16.397 5.337 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -6.020 16.157 5.530 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -5.673 14.222 6.998 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -3.960 14.172 6.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -4.372 15.255 8.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -3.711 16.356 7.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -5.370 16.404 7.975 1.00 0.00 H new ATOM 1736 N LYS A 112 -8.554 14.776 2.500 1.00 0.00 N ATOM 1737 CA LYS A 112 -9.982 14.805 2.832 1.00 0.00 C ATOM 1738 C LYS A 112 -10.838 15.295 1.646 1.00 0.00 C ATOM 1739 O LYS A 112 -10.569 16.372 1.102 1.00 0.00 O ATOM 1740 CB LYS A 112 -10.197 15.555 4.150 1.00 0.00 C ATOM 1741 CG LYS A 112 -9.811 17.023 4.053 1.00 0.00 C ATOM 1742 CD LYS A 112 -9.543 17.573 5.441 1.00 0.00 C ATOM 1743 CE LYS A 112 -9.901 19.058 5.439 1.00 0.00 C ATOM 1744 NZ LYS A 112 -8.704 19.858 5.702 1.00 0.00 N ATOM 0 H LYS A 112 -8.226 15.605 2.005 1.00 0.00 H new ATOM 0 HA LYS A 112 -10.341 13.790 3.006 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -11.244 15.476 4.443 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -9.610 15.079 4.935 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -8.924 17.136 3.429 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -10.611 17.589 3.575 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -10.136 17.039 6.183 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -8.496 17.434 5.710 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -10.331 19.336 4.477 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -10.658 19.260 6.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -8.954 20.868 5.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -8.312 19.601 6.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -7.995 19.675 4.964 1.00 0.00 H new ATOM 1758 N PRO A 113 -11.747 14.427 1.189 1.00 0.00 N ATOM 1759 CA PRO A 113 -11.965 13.074 1.735 1.00 0.00 C ATOM 1760 C PRO A 113 -10.864 12.112 1.241 1.00 0.00 C ATOM 1761 O PRO A 113 -9.917 12.514 0.574 1.00 0.00 O ATOM 1762 CB PRO A 113 -13.374 12.686 1.278 1.00 0.00 C ATOM 1763 CG PRO A 113 -13.583 13.480 -0.012 1.00 0.00 C ATOM 1764 CD PRO A 113 -12.700 14.729 0.107 1.00 0.00 C ATOM 0 HA PRO A 113 -11.900 13.030 2.822 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -13.454 11.613 1.103 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -14.121 12.943 2.029 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -13.304 12.888 -0.883 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -14.631 13.754 -0.135 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -12.181 14.935 -0.829 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -13.295 15.611 0.342 1.00 0.00 H new ATOM 1772 N LYS A 114 -11.006 10.856 1.650 1.00 0.00 N ATOM 1773 CA LYS A 114 -10.020 9.820 1.348 1.00 0.00 C ATOM 1774 C LYS A 114 -10.711 8.452 1.408 1.00 0.00 C ATOM 1775 O LYS A 114 -11.168 8.011 2.461 1.00 0.00 O ATOM 1776 CB LYS A 114 -8.871 9.915 2.361 1.00 0.00 C ATOM 1777 CG LYS A 114 -7.842 8.819 2.142 1.00 0.00 C ATOM 1778 CD LYS A 114 -7.203 8.333 3.439 1.00 0.00 C ATOM 1779 CE LYS A 114 -6.708 6.903 3.239 1.00 0.00 C ATOM 1780 NZ LYS A 114 -6.546 6.304 4.565 1.00 0.00 N ATOM 0 H LYS A 114 -11.802 10.527 2.197 1.00 0.00 H new ATOM 0 HA LYS A 114 -9.605 9.954 0.349 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -8.390 10.889 2.276 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -9.270 9.844 3.373 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -8.318 7.977 1.640 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -7.062 9.188 1.476 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -6.374 8.984 3.718 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -7.926 8.371 4.253 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -7.420 6.331 2.644 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -5.762 6.897 2.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -6.208 5.325 4.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -5.854 6.855 5.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -7.460 6.306 5.061 1.00 0.00 H new ATOM 1794 N GLU A 115 -10.936 7.900 0.219 1.00 0.00 N ATOM 1795 CA GLU A 115 -11.541 6.572 0.097 1.00 0.00 C ATOM 1796 C GLU A 115 -10.598 5.523 0.708 1.00 0.00 C ATOM 1797 O GLU A 115 -9.375 5.588 0.566 1.00 0.00 O ATOM 1798 CB GLU A 115 -11.833 6.235 -1.367 1.00 0.00 C ATOM 1799 CG GLU A 115 -12.665 4.957 -1.491 1.00 0.00 C ATOM 1800 CD GLU A 115 -12.135 4.056 -2.616 1.00 0.00 C ATOM 1801 OE1 GLU A 115 -11.130 3.367 -2.384 1.00 0.00 O ATOM 1802 OE2 GLU A 115 -12.755 4.090 -3.693 1.00 0.00 O ATOM 0 H GLU A 115 -10.711 8.346 -0.670 1.00 0.00 H new ATOM 0 HA GLU A 115 -12.488 6.567 0.636 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -12.365 7.064 -1.833 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -10.895 6.114 -1.908 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -12.645 4.414 -0.546 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -13.706 5.215 -1.688 1.00 0.00 H new ATOM 1809 N ASN A 116 -11.223 4.534 1.350 1.00 0.00 N ATOM 1810 CA ASN A 116 -10.507 3.409 1.976 1.00 0.00 C ATOM 1811 C ASN A 116 -9.552 2.749 0.956 1.00 0.00 C ATOM 1812 O ASN A 116 -9.888 2.672 -0.221 1.00 0.00 O ATOM 1813 CB ASN A 116 -11.514 2.379 2.490 1.00 0.00 C ATOM 1814 CG ASN A 116 -10.991 1.733 3.767 1.00 0.00 C ATOM 1815 OD1 ASN A 116 -10.460 2.367 4.669 1.00 0.00 O ATOM 1816 ND2 ASN A 116 -11.118 0.434 3.876 1.00 0.00 N ATOM 0 H ASN A 116 -12.237 4.486 1.453 1.00 0.00 H new ATOM 0 HA ASN A 116 -9.919 3.785 2.813 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -12.473 2.860 2.682 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -11.686 1.616 1.731 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -10.775 -0.044 4.709 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -11.560 -0.100 3.127 1.00 0.00 H new ATOM 1823 N PRO A 117 -8.362 2.329 1.388 1.00 0.00 N ATOM 1824 CA PRO A 117 -7.405 1.695 0.479 1.00 0.00 C ATOM 1825 C PRO A 117 -7.860 0.273 0.091 1.00 0.00 C ATOM 1826 O PRO A 117 -9.021 -0.096 0.274 1.00 0.00 O ATOM 1827 CB PRO A 117 -6.078 1.758 1.263 1.00 0.00 C ATOM 1828 CG PRO A 117 -6.490 1.730 2.731 1.00 0.00 C ATOM 1829 CD PRO A 117 -7.819 2.475 2.756 1.00 0.00 C ATOM 0 HA PRO A 117 -7.308 2.189 -0.488 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -5.433 0.914 1.017 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -5.521 2.665 1.026 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -6.598 0.709 3.096 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -5.748 2.217 3.363 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -8.496 2.051 3.497 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -7.679 3.524 3.016 1.00 0.00 H new ATOM 1837 N GLY A 118 -6.922 -0.481 -0.449 1.00 0.00 N ATOM 1838 CA GLY A 118 -7.139 -1.857 -0.913 1.00 0.00 C ATOM 1839 C GLY A 118 -6.431 -2.882 -0.016 1.00 0.00 C ATOM 1840 O GLY A 118 -5.574 -2.490 0.788 1.00 0.00 O ATOM 0 H GLY A 118 -5.965 -0.157 -0.585 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -8.208 -2.069 -0.933 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -6.775 -1.957 -1.936 1.00 0.00 H new ATOM 1844 N PRO A 119 -6.736 -4.177 -0.210 1.00 0.00 N ATOM 1845 CA PRO A 119 -6.059 -5.269 0.529 1.00 0.00 C ATOM 1846 C PRO A 119 -4.633 -5.470 0.001 1.00 0.00 C ATOM 1847 O PRO A 119 -3.710 -5.593 0.802 1.00 0.00 O ATOM 1848 CB PRO A 119 -6.937 -6.496 0.341 1.00 0.00 C ATOM 1849 CG PRO A 119 -7.778 -6.214 -0.896 1.00 0.00 C ATOM 1850 CD PRO A 119 -7.754 -4.707 -1.131 1.00 0.00 C ATOM 0 HA PRO A 119 -5.944 -5.048 1.590 1.00 0.00 H new ATOM 0 HB2 PRO A 119 -6.333 -7.393 0.208 1.00 0.00 H new ATOM 0 HB3 PRO A 119 -7.568 -6.664 1.214 1.00 0.00 H new ATOM 0 HG2 PRO A 119 -7.378 -6.744 -1.761 1.00 0.00 H new ATOM 0 HG3 PRO A 119 -8.800 -6.564 -0.753 1.00 0.00 H new ATOM 0 HD2 PRO A 119 -7.504 -4.476 -2.166 1.00 0.00 H new ATOM 0 HD3 PRO A 119 -8.730 -4.264 -0.933 1.00 0.00 H new ATOM 1858 N ALA A 120 -4.492 -5.518 -1.316 1.00 0.00 N ATOM 1859 CA ALA A 120 -3.182 -5.617 -1.969 1.00 0.00 C ATOM 1860 C ALA A 120 -2.529 -4.251 -2.165 1.00 0.00 C ATOM 1861 O ALA A 120 -3.163 -3.240 -2.472 1.00 0.00 O ATOM 1862 CB ALA A 120 -3.251 -6.358 -3.288 1.00 0.00 C ATOM 0 H ALA A 120 -5.277 -5.490 -1.966 1.00 0.00 H new ATOM 0 HA ALA A 120 -2.556 -6.196 -1.290 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -2.256 -6.404 -3.732 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -3.620 -7.369 -3.118 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -3.926 -5.834 -3.965 1.00 0.00 H new ATOM 1868 N ARG A 121 -1.241 -4.274 -1.857 1.00 0.00 N ATOM 1869 CA ARG A 121 -0.407 -3.081 -1.909 1.00 0.00 C ATOM 1870 C ARG A 121 0.935 -3.387 -2.571 1.00 0.00 C ATOM 1871 O ARG A 121 1.505 -4.465 -2.407 1.00 0.00 O ATOM 1872 CB ARG A 121 -0.172 -2.574 -0.490 1.00 0.00 C ATOM 1873 CG ARG A 121 -1.420 -2.001 0.172 1.00 0.00 C ATOM 1874 CD ARG A 121 -1.243 -0.517 0.431 1.00 0.00 C ATOM 1875 NE ARG A 121 -1.270 -0.189 1.872 1.00 0.00 N ATOM 1876 CZ ARG A 121 -2.366 -0.008 2.590 1.00 0.00 C ATOM 1877 NH1 ARG A 121 -3.563 -0.085 2.023 1.00 0.00 N ATOM 1878 NH2 ARG A 121 -2.279 0.239 3.888 1.00 0.00 N ATOM 0 H ARG A 121 -0.745 -5.116 -1.565 1.00 0.00 H new ATOM 0 HA ARG A 121 -0.917 -2.320 -2.499 1.00 0.00 H new ATOM 0 HB2 ARG A 121 0.208 -3.393 0.120 1.00 0.00 H new ATOM 0 HB3 ARG A 121 0.602 -1.807 -0.512 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -2.287 -2.165 -0.468 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -1.614 -2.521 1.110 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -0.296 -0.187 0.004 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -2.033 0.035 -0.079 1.00 0.00 H new ATOM 0 HE ARG A 121 -0.374 -0.095 2.350 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -3.643 -0.285 1.026 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -4.403 0.056 2.584 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -1.365 0.290 4.337 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -3.126 0.378 4.439 1.00 0.00 H new ATOM 1892 N VAL A 122 1.366 -2.394 -3.330 1.00 0.00 N ATOM 1893 CA VAL A 122 2.656 -2.458 -4.035 1.00 0.00 C ATOM 1894 C VAL A 122 3.794 -2.127 -3.081 1.00 0.00 C ATOM 1895 O VAL A 122 3.685 -1.227 -2.243 1.00 0.00 O ATOM 1896 CB VAL A 122 2.654 -1.552 -5.277 1.00 0.00 C ATOM 1897 CG1 VAL A 122 2.515 -0.062 -4.976 1.00 0.00 C ATOM 1898 CG2 VAL A 122 3.901 -1.786 -6.135 1.00 0.00 C ATOM 0 H VAL A 122 0.848 -1.528 -3.480 1.00 0.00 H new ATOM 0 HA VAL A 122 2.812 -3.476 -4.392 1.00 0.00 H new ATOM 0 HB VAL A 122 1.758 -1.841 -5.827 1.00 0.00 H new ATOM 0 HG11 VAL A 122 2.523 0.500 -5.910 1.00 0.00 H new ATOM 0 HG12 VAL A 122 1.576 0.117 -4.453 1.00 0.00 H new ATOM 0 HG13 VAL A 122 3.347 0.262 -4.350 1.00 0.00 H new ATOM 0 HG21 VAL A 122 3.871 -1.131 -7.006 1.00 0.00 H new ATOM 0 HG22 VAL A 122 4.793 -1.568 -5.548 1.00 0.00 H new ATOM 0 HG23 VAL A 122 3.927 -2.825 -6.463 1.00 0.00 H new ATOM 1908 N ILE A 123 4.876 -2.873 -3.258 1.00 0.00 N ATOM 1909 CA ILE A 123 6.098 -2.692 -2.462 1.00 0.00 C ATOM 1910 C ILE A 123 7.279 -2.442 -3.385 1.00 0.00 C ATOM 1911 O ILE A 123 7.460 -3.077 -4.429 1.00 0.00 O ATOM 1912 CB ILE A 123 6.339 -3.891 -1.552 1.00 0.00 C ATOM 1913 CG1 ILE A 123 5.116 -4.182 -0.699 1.00 0.00 C ATOM 1914 CG2 ILE A 123 7.568 -3.736 -0.653 1.00 0.00 C ATOM 1915 CD1 ILE A 123 4.558 -2.992 0.110 1.00 0.00 C ATOM 0 H ILE A 123 4.939 -3.618 -3.951 1.00 0.00 H new ATOM 0 HA ILE A 123 5.977 -1.822 -1.817 1.00 0.00 H new ATOM 0 HB ILE A 123 6.532 -4.732 -2.218 1.00 0.00 H new ATOM 0 HG12 ILE A 123 4.325 -4.557 -1.349 1.00 0.00 H new ATOM 0 HG13 ILE A 123 5.365 -4.984 -0.004 1.00 0.00 H new ATOM 0 HG21 ILE A 123 7.679 -4.625 -0.032 1.00 0.00 H new ATOM 0 HG22 ILE A 123 8.457 -3.611 -1.271 1.00 0.00 H new ATOM 0 HG23 ILE A 123 7.444 -2.861 -0.015 1.00 0.00 H new ATOM 0 HD11 ILE A 123 3.687 -3.316 0.680 1.00 0.00 H new ATOM 0 HD12 ILE A 123 5.324 -2.626 0.794 1.00 0.00 H new ATOM 0 HD13 ILE A 123 4.268 -2.192 -0.572 1.00 0.00 H new ATOM 1927 N TYR A 124 8.116 -1.546 -2.887 1.00 0.00 N ATOM 1928 CA TYR A 124 9.264 -1.019 -3.640 1.00 0.00 C ATOM 1929 C TYR A 124 10.179 -0.195 -2.747 1.00 0.00 C ATOM 1930 O TYR A 124 9.751 0.357 -1.738 1.00 0.00 O ATOM 1931 CB TYR A 124 8.768 -0.139 -4.813 1.00 0.00 C ATOM 1932 CG TYR A 124 7.826 0.964 -4.344 1.00 0.00 C ATOM 1933 CD1 TYR A 124 6.461 0.675 -4.117 1.00 0.00 C ATOM 1934 CD2 TYR A 124 8.359 2.245 -4.106 1.00 0.00 C ATOM 1935 CE1 TYR A 124 5.623 1.670 -3.601 1.00 0.00 C ATOM 1936 CE2 TYR A 124 7.515 3.259 -3.638 1.00 0.00 C ATOM 1937 CZ TYR A 124 6.155 2.955 -3.392 1.00 0.00 C ATOM 1938 OH TYR A 124 5.319 3.966 -3.067 1.00 0.00 O ATOM 0 H TYR A 124 8.026 -1.157 -1.948 1.00 0.00 H new ATOM 0 HA TYR A 124 9.828 -1.868 -4.026 1.00 0.00 H new ATOM 0 HB2 TYR A 124 9.625 0.307 -5.318 1.00 0.00 H new ATOM 0 HB3 TYR A 124 8.257 -0.765 -5.544 1.00 0.00 H new ATOM 0 HD1 TYR A 124 6.068 -0.306 -4.340 1.00 0.00 H new ATOM 0 HD2 TYR A 124 9.406 2.443 -4.282 1.00 0.00 H new ATOM 0 HE1 TYR A 124 4.590 1.456 -3.368 1.00 0.00 H new ATOM 0 HE2 TYR A 124 7.895 4.256 -3.468 1.00 0.00 H new ATOM 0 HH TYR A 124 5.834 4.792 -2.954 1.00 0.00 H new ATOM 1948 N THR A 125 11.462 -0.342 -3.049 1.00 0.00 N ATOM 1949 CA THR A 125 12.540 0.323 -2.296 1.00 0.00 C ATOM 1950 C THR A 125 12.519 1.826 -2.609 1.00 0.00 C ATOM 1951 O THR A 125 11.600 2.315 -3.265 1.00 0.00 O ATOM 1952 CB THR A 125 13.907 -0.324 -2.607 1.00 0.00 C ATOM 1953 OG1 THR A 125 14.353 0.137 -3.886 1.00 0.00 O ATOM 1954 CG2 THR A 125 13.887 -1.856 -2.640 1.00 0.00 C ATOM 0 H THR A 125 11.794 -0.922 -3.819 1.00 0.00 H new ATOM 0 HA THR A 125 12.376 0.196 -1.226 1.00 0.00 H new ATOM 0 HB THR A 125 14.573 -0.030 -1.796 1.00 0.00 H new ATOM 0 HG1 THR A 125 14.768 -0.604 -4.375 1.00 0.00 H new ATOM 0 HG21 THR A 125 14.886 -2.228 -2.865 1.00 0.00 H new ATOM 0 HG22 THR A 125 13.568 -2.237 -1.670 1.00 0.00 H new ATOM 0 HG23 THR A 125 13.192 -2.194 -3.409 1.00 0.00 H new ATOM 1962 N TYR A 126 13.599 2.529 -2.279 1.00 0.00 N ATOM 1963 CA TYR A 126 13.727 3.986 -2.466 1.00 0.00 C ATOM 1964 C TYR A 126 15.161 4.491 -2.199 1.00 0.00 C ATOM 1965 O TYR A 126 15.850 3.892 -1.377 1.00 0.00 O ATOM 1966 CB TYR A 126 12.706 4.693 -1.574 1.00 0.00 C ATOM 1967 CG TYR A 126 13.055 6.100 -1.115 1.00 0.00 C ATOM 1968 CD1 TYR A 126 12.825 7.235 -1.898 1.00 0.00 C ATOM 1969 CD2 TYR A 126 13.742 6.199 0.101 1.00 0.00 C ATOM 1970 CE1 TYR A 126 13.274 8.502 -1.497 1.00 0.00 C ATOM 1971 CE2 TYR A 126 14.203 7.464 0.523 1.00 0.00 C ATOM 1972 CZ TYR A 126 13.953 8.589 -0.283 1.00 0.00 C ATOM 1973 OH TYR A 126 14.333 9.806 0.170 1.00 0.00 O ATOM 0 H TYR A 126 14.428 2.102 -1.866 1.00 0.00 H new ATOM 0 HA TYR A 126 13.521 4.221 -3.510 1.00 0.00 H new ATOM 0 HB2 TYR A 126 11.758 4.736 -2.111 1.00 0.00 H new ATOM 0 HB3 TYR A 126 12.544 4.077 -0.689 1.00 0.00 H new ATOM 0 HD1 TYR A 126 12.291 7.134 -2.831 1.00 0.00 H new ATOM 0 HD2 TYR A 126 13.916 5.321 0.706 1.00 0.00 H new ATOM 0 HE1 TYR A 126 13.100 9.377 -2.106 1.00 0.00 H new ATOM 0 HE2 TYR A 126 14.741 7.567 1.454 1.00 0.00 H new ATOM 0 HH TYR A 126 14.795 9.706 1.029 1.00 0.00 H new ATOM 1983 N PRO A 127 15.621 5.482 -2.995 1.00 0.00 N ATOM 1984 CA PRO A 127 14.913 6.049 -4.172 1.00 0.00 C ATOM 1985 C PRO A 127 14.948 5.171 -5.413 1.00 0.00 C ATOM 1986 O PRO A 127 14.217 5.435 -6.369 1.00 0.00 O ATOM 1987 CB PRO A 127 15.516 7.432 -4.393 1.00 0.00 C ATOM 1988 CG PRO A 127 16.915 7.329 -3.791 1.00 0.00 C ATOM 1989 CD PRO A 127 16.869 6.228 -2.733 1.00 0.00 C ATOM 0 HA PRO A 127 13.844 6.111 -3.970 1.00 0.00 H new ATOM 0 HB2 PRO A 127 15.556 7.685 -5.453 1.00 0.00 H new ATOM 0 HB3 PRO A 127 14.927 8.207 -3.902 1.00 0.00 H new ATOM 0 HG2 PRO A 127 17.649 7.093 -4.561 1.00 0.00 H new ATOM 0 HG3 PRO A 127 17.214 8.278 -3.346 1.00 0.00 H new ATOM 0 HD2 PRO A 127 17.739 5.576 -2.807 1.00 0.00 H new ATOM 0 HD3 PRO A 127 16.871 6.649 -1.728 1.00 0.00 H new ATOM 1997 N ASN A 128 15.583 4.021 -5.232 1.00 0.00 N ATOM 1998 CA ASN A 128 15.668 2.970 -6.256 1.00 0.00 C ATOM 1999 C ASN A 128 14.271 2.664 -6.823 1.00 0.00 C ATOM 2000 O ASN A 128 14.099 2.718 -8.034 1.00 0.00 O ATOM 2001 CB ASN A 128 16.246 1.705 -5.641 1.00 0.00 C ATOM 2002 CG ASN A 128 17.597 1.386 -6.248 1.00 0.00 C ATOM 2003 OD1 ASN A 128 17.762 1.090 -7.415 1.00 0.00 O ATOM 2004 ND2 ASN A 128 18.608 1.453 -5.407 1.00 0.00 N ATOM 0 H ASN A 128 16.061 3.782 -4.363 1.00 0.00 H new ATOM 0 HA ASN A 128 16.313 3.318 -7.063 1.00 0.00 H new ATOM 0 HB2 ASN A 128 16.346 1.831 -4.563 1.00 0.00 H new ATOM 0 HB3 ASN A 128 15.563 0.871 -5.802 1.00 0.00 H new ATOM 0 HD21 ASN A 128 19.555 1.254 -5.731 1.00 0.00 H new ATOM 0 HD22 ASN A 128 18.444 1.704 -4.432 1.00 0.00 H new ATOM 2011 N LYS A 129 13.318 2.432 -5.917 1.00 0.00 N ATOM 2012 CA LYS A 129 11.929 2.088 -6.297 1.00 0.00 C ATOM 2013 C LYS A 129 11.884 0.819 -7.156 1.00 0.00 C ATOM 2014 O LYS A 129 10.976 0.622 -7.960 1.00 0.00 O ATOM 2015 CB LYS A 129 11.226 3.236 -7.034 1.00 0.00 C ATOM 2016 CG LYS A 129 10.719 4.285 -6.067 1.00 0.00 C ATOM 2017 CD LYS A 129 9.840 5.253 -6.848 1.00 0.00 C ATOM 2018 CE LYS A 129 8.471 5.370 -6.191 1.00 0.00 C ATOM 2019 NZ LYS A 129 7.972 6.741 -6.271 1.00 0.00 N ATOM 0 H LYS A 129 13.475 2.474 -4.910 1.00 0.00 H new ATOM 0 HA LYS A 129 11.393 1.907 -5.365 1.00 0.00 H new ATOM 0 HB2 LYS A 129 11.918 3.694 -7.741 1.00 0.00 H new ATOM 0 HB3 LYS A 129 10.392 2.841 -7.615 1.00 0.00 H new ATOM 0 HG2 LYS A 129 10.152 3.819 -5.261 1.00 0.00 H new ATOM 0 HG3 LYS A 129 11.553 4.814 -5.605 1.00 0.00 H new ATOM 0 HD2 LYS A 129 10.315 6.233 -6.891 1.00 0.00 H new ATOM 0 HD3 LYS A 129 9.730 4.907 -7.876 1.00 0.00 H new ATOM 0 HE2 LYS A 129 7.769 4.694 -6.679 1.00 0.00 H new ATOM 0 HE3 LYS A 129 8.536 5.062 -5.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 7.721 7.075 -5.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 8.709 7.356 -6.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 7.130 6.769 -6.881 1.00 0.00 H new ATOM 2033 N VAL A 130 12.884 -0.025 -6.910 1.00 0.00 N ATOM 2034 CA VAL A 130 13.066 -1.307 -7.611 1.00 0.00 C ATOM 2035 C VAL A 130 11.973 -2.246 -7.089 1.00 0.00 C ATOM 2036 O VAL A 130 12.173 -2.962 -6.102 1.00 0.00 O ATOM 2037 CB VAL A 130 14.469 -1.906 -7.381 1.00 0.00 C ATOM 2038 CG1 VAL A 130 14.650 -3.221 -8.137 1.00 0.00 C ATOM 2039 CG2 VAL A 130 15.559 -0.972 -7.911 1.00 0.00 C ATOM 0 H VAL A 130 13.603 0.159 -6.210 1.00 0.00 H new ATOM 0 HA VAL A 130 12.985 -1.162 -8.688 1.00 0.00 H new ATOM 0 HB VAL A 130 14.554 -2.056 -6.305 1.00 0.00 H new ATOM 0 HG11 VAL A 130 15.650 -3.613 -7.951 1.00 0.00 H new ATOM 0 HG12 VAL A 130 13.908 -3.942 -7.795 1.00 0.00 H new ATOM 0 HG13 VAL A 130 14.521 -3.047 -9.205 1.00 0.00 H new ATOM 0 HG21 VAL A 130 16.538 -1.419 -7.736 1.00 0.00 H new ATOM 0 HG22 VAL A 130 15.417 -0.817 -8.981 1.00 0.00 H new ATOM 0 HG23 VAL A 130 15.500 -0.014 -7.395 1.00 0.00 H new ATOM 2049 N PHE A 131 10.795 -2.059 -7.683 1.00 0.00 N ATOM 2050 CA PHE A 131 9.596 -2.853 -7.424 1.00 0.00 C ATOM 2051 C PHE A 131 10.025 -4.298 -7.160 1.00 0.00 C ATOM 2052 O PHE A 131 10.762 -4.894 -7.952 1.00 0.00 O ATOM 2053 CB PHE A 131 8.652 -2.737 -8.633 1.00 0.00 C ATOM 2054 CG PHE A 131 7.583 -3.837 -8.684 1.00 0.00 C ATOM 2055 CD1 PHE A 131 7.957 -5.138 -9.091 1.00 0.00 C ATOM 2056 CD2 PHE A 131 6.286 -3.585 -8.188 1.00 0.00 C ATOM 2057 CE1 PHE A 131 7.071 -6.214 -8.950 1.00 0.00 C ATOM 2058 CE2 PHE A 131 5.366 -4.653 -8.087 1.00 0.00 C ATOM 2059 CZ PHE A 131 5.770 -5.949 -8.459 1.00 0.00 C ATOM 0 H PHE A 131 10.645 -1.328 -8.379 1.00 0.00 H new ATOM 0 HA PHE A 131 9.056 -2.493 -6.548 1.00 0.00 H new ATOM 0 HB2 PHE A 131 8.160 -1.765 -8.608 1.00 0.00 H new ATOM 0 HB3 PHE A 131 9.242 -2.772 -9.549 1.00 0.00 H new ATOM 0 HD1 PHE A 131 8.936 -5.304 -9.515 1.00 0.00 H new ATOM 0 HD2 PHE A 131 6.000 -2.587 -7.889 1.00 0.00 H new ATOM 0 HE1 PHE A 131 7.372 -7.218 -9.209 1.00 0.00 H new ATOM 0 HE2 PHE A 131 4.363 -4.477 -7.728 1.00 0.00 H new ATOM 0 HZ PHE A 131 5.068 -6.764 -8.367 1.00 0.00 H new ATOM 2069 N CYS A 132 9.550 -4.803 -6.045 1.00 0.00 N ATOM 2070 CA CYS A 132 9.854 -6.184 -5.662 1.00 0.00 C ATOM 2071 C CYS A 132 8.671 -7.092 -5.977 1.00 0.00 C ATOM 2072 O CYS A 132 8.745 -7.968 -6.839 1.00 0.00 O ATOM 2073 CB CYS A 132 10.192 -6.155 -4.185 1.00 0.00 C ATOM 2074 SG CYS A 132 11.813 -6.940 -3.950 1.00 0.00 S ATOM 0 H CYS A 132 8.958 -4.295 -5.387 1.00 0.00 H new ATOM 0 HA CYS A 132 10.696 -6.589 -6.223 1.00 0.00 H new ATOM 0 HB2 CYS A 132 10.212 -5.128 -3.821 1.00 0.00 H new ATOM 0 HB3 CYS A 132 9.429 -6.682 -3.611 1.00 0.00 H new ATOM 2079 N GLY A 133 7.557 -6.725 -5.346 1.00 0.00 N ATOM 2080 CA GLY A 133 6.295 -7.437 -5.495 1.00 0.00 C ATOM 2081 C GLY A 133 5.121 -6.689 -4.866 1.00 0.00 C ATOM 2082 O GLY A 133 5.213 -5.511 -4.521 1.00 0.00 O ATOM 0 H GLY A 133 7.507 -5.924 -4.717 1.00 0.00 H new ATOM 0 HA2 GLY A 133 6.094 -7.595 -6.555 1.00 0.00 H new ATOM 0 HA3 GLY A 133 6.381 -8.422 -5.036 1.00 0.00 H new ATOM 2086 N ILE A 134 4.035 -7.435 -4.781 1.00 0.00 N ATOM 2087 CA ILE A 134 2.811 -6.939 -4.143 1.00 0.00 C ATOM 2088 C ILE A 134 2.449 -7.860 -2.990 1.00 0.00 C ATOM 2089 O ILE A 134 2.669 -9.069 -3.038 1.00 0.00 O ATOM 2090 CB ILE A 134 1.668 -6.797 -5.173 1.00 0.00 C ATOM 2091 CG1 ILE A 134 1.950 -5.613 -6.088 1.00 0.00 C ATOM 2092 CG2 ILE A 134 0.273 -6.575 -4.572 1.00 0.00 C ATOM 2093 CD1 ILE A 134 2.365 -6.058 -7.481 1.00 0.00 C ATOM 0 H ILE A 134 3.967 -8.386 -5.143 1.00 0.00 H new ATOM 0 HA ILE A 134 2.979 -5.940 -3.741 1.00 0.00 H new ATOM 0 HB ILE A 134 1.649 -7.752 -5.699 1.00 0.00 H new ATOM 0 HG12 ILE A 134 1.060 -4.988 -6.157 1.00 0.00 H new ATOM 0 HG13 ILE A 134 2.738 -4.998 -5.654 1.00 0.00 H new ATOM 0 HG21 ILE A 134 -0.459 -6.488 -5.375 1.00 0.00 H new ATOM 0 HG22 ILE A 134 0.013 -7.420 -3.934 1.00 0.00 H new ATOM 0 HG23 ILE A 134 0.273 -5.660 -3.980 1.00 0.00 H new ATOM 0 HD11 ILE A 134 2.556 -5.182 -8.101 1.00 0.00 H new ATOM 0 HD12 ILE A 134 3.271 -6.661 -7.416 1.00 0.00 H new ATOM 0 HD13 ILE A 134 1.566 -6.650 -7.927 1.00 0.00 H new ATOM 2105 N ILE A 135 1.974 -7.239 -1.927 1.00 0.00 N ATOM 2106 CA ILE A 135 1.523 -7.957 -0.735 1.00 0.00 C ATOM 2107 C ILE A 135 0.109 -7.548 -0.350 1.00 0.00 C ATOM 2108 O ILE A 135 -0.314 -6.424 -0.574 1.00 0.00 O ATOM 2109 CB ILE A 135 2.486 -7.791 0.435 1.00 0.00 C ATOM 2110 CG1 ILE A 135 2.985 -6.377 0.627 1.00 0.00 C ATOM 2111 CG2 ILE A 135 3.738 -8.610 0.187 1.00 0.00 C ATOM 2112 CD1 ILE A 135 1.913 -5.336 0.954 1.00 0.00 C ATOM 0 H ILE A 135 1.887 -6.225 -1.859 1.00 0.00 H new ATOM 0 HA ILE A 135 1.510 -9.018 -0.986 1.00 0.00 H new ATOM 0 HB ILE A 135 1.916 -8.103 1.310 1.00 0.00 H new ATOM 0 HG12 ILE A 135 3.723 -6.377 1.430 1.00 0.00 H new ATOM 0 HG13 ILE A 135 3.502 -6.067 -0.281 1.00 0.00 H new ATOM 0 HG21 ILE A 135 4.424 -8.489 1.025 1.00 0.00 H new ATOM 0 HG22 ILE A 135 3.471 -9.662 0.086 1.00 0.00 H new ATOM 0 HG23 ILE A 135 4.221 -8.269 -0.729 1.00 0.00 H new ATOM 0 HD11 ILE A 135 2.379 -4.358 1.071 1.00 0.00 H new ATOM 0 HD12 ILE A 135 1.185 -5.296 0.144 1.00 0.00 H new ATOM 0 HD13 ILE A 135 1.409 -5.611 1.881 1.00 0.00 H new ATOM 2124 N ALA A 136 -0.641 -8.524 0.125 1.00 0.00 N ATOM 2125 CA ALA A 136 -2.026 -8.293 0.548 1.00 0.00 C ATOM 2126 C ALA A 136 -2.340 -9.068 1.815 1.00 0.00 C ATOM 2127 O ALA A 136 -1.721 -10.095 2.064 1.00 0.00 O ATOM 2128 CB ALA A 136 -2.975 -8.773 -0.553 1.00 0.00 C ATOM 0 H ALA A 136 -0.323 -9.487 0.231 1.00 0.00 H new ATOM 0 HA ALA A 136 -2.154 -7.227 0.736 1.00 0.00 H new ATOM 0 HB1 ALA A 136 -4.006 -8.604 -0.244 1.00 0.00 H new ATOM 0 HB2 ALA A 136 -2.776 -8.220 -1.471 1.00 0.00 H new ATOM 0 HB3 ALA A 136 -2.819 -9.837 -0.729 1.00 0.00 H new ATOM 2134 N HIS A 137 -3.418 -8.682 2.455 1.00 0.00 N ATOM 2135 CA HIS A 137 -3.840 -9.358 3.695 1.00 0.00 C ATOM 2136 C HIS A 137 -4.674 -10.578 3.329 1.00 0.00 C ATOM 2137 O HIS A 137 -5.754 -10.466 2.751 1.00 0.00 O ATOM 2138 CB HIS A 137 -4.656 -8.401 4.533 1.00 0.00 C ATOM 2139 CG HIS A 137 -3.928 -7.097 4.856 1.00 0.00 C ATOM 2140 ND1 HIS A 137 -3.362 -6.771 6.007 1.00 0.00 N ATOM 2141 CD2 HIS A 137 -3.860 -6.042 4.049 1.00 0.00 C ATOM 2142 CE1 HIS A 137 -2.956 -5.516 5.936 1.00 0.00 C ATOM 2143 NE2 HIS A 137 -3.239 -5.067 4.712 1.00 0.00 N ATOM 0 H HIS A 137 -4.023 -7.916 2.157 1.00 0.00 H new ATOM 0 HA HIS A 137 -2.968 -9.674 4.268 1.00 0.00 H new ATOM 0 HB2 HIS A 137 -5.582 -8.170 4.007 1.00 0.00 H new ATOM 0 HB3 HIS A 137 -4.933 -8.893 5.465 1.00 0.00 H new ATOM 0 HD1 HIS A 137 -3.257 -7.386 6.814 1.00 0.00 H new ATOM 0 HD2 HIS A 137 -4.239 -5.986 3.039 1.00 0.00 H new ATOM 0 HE1 HIS A 137 -2.481 -4.954 6.727 1.00 0.00 H new ATOM 2152 N THR A 138 -4.214 -11.736 3.777 1.00 0.00 N ATOM 2153 CA THR A 138 -4.860 -13.032 3.525 1.00 0.00 C ATOM 2154 C THR A 138 -6.053 -13.284 4.454 1.00 0.00 C ATOM 2155 O THR A 138 -6.259 -14.384 4.958 1.00 0.00 O ATOM 2156 CB THR A 138 -3.809 -14.130 3.655 1.00 0.00 C ATOM 2157 OG1 THR A 138 -2.944 -13.798 4.751 1.00 0.00 O ATOM 2158 CG2 THR A 138 -3.066 -14.297 2.338 1.00 0.00 C ATOM 0 H THR A 138 -3.365 -11.812 4.338 1.00 0.00 H new ATOM 0 HA THR A 138 -5.270 -13.029 2.515 1.00 0.00 H new ATOM 0 HB THR A 138 -4.270 -15.094 3.870 1.00 0.00 H new ATOM 0 HG1 THR A 138 -2.261 -14.494 4.852 1.00 0.00 H new ATOM 0 HG21 THR A 138 -2.318 -15.083 2.440 1.00 0.00 H new ATOM 0 HG22 THR A 138 -3.773 -14.568 1.553 1.00 0.00 H new ATOM 0 HG23 THR A 138 -2.575 -13.360 2.076 1.00 0.00 H new ATOM 2166 N LYS A 139 -6.875 -12.254 4.582 1.00 0.00 N ATOM 2167 CA LYS A 139 -8.061 -12.200 5.462 1.00 0.00 C ATOM 2168 C LYS A 139 -8.717 -10.816 5.358 1.00 0.00 C ATOM 2169 O LYS A 139 -8.533 -9.930 6.196 1.00 0.00 O ATOM 2170 CB LYS A 139 -7.675 -12.509 6.918 1.00 0.00 C ATOM 2171 CG LYS A 139 -8.861 -12.532 7.887 1.00 0.00 C ATOM 2172 CD LYS A 139 -8.515 -11.738 9.145 1.00 0.00 C ATOM 2173 CE LYS A 139 -9.267 -10.412 9.213 1.00 0.00 C ATOM 2174 NZ LYS A 139 -9.054 -9.805 10.539 1.00 0.00 N ATOM 0 H LYS A 139 -6.739 -11.389 4.058 1.00 0.00 H new ATOM 0 HA LYS A 139 -8.775 -12.957 5.139 1.00 0.00 H new ATOM 0 HB2 LYS A 139 -7.173 -13.476 6.952 1.00 0.00 H new ATOM 0 HB3 LYS A 139 -6.956 -11.764 7.258 1.00 0.00 H new ATOM 0 HG2 LYS A 139 -9.743 -12.106 7.408 1.00 0.00 H new ATOM 0 HG3 LYS A 139 -9.107 -13.561 8.151 1.00 0.00 H new ATOM 0 HD2 LYS A 139 -8.752 -12.334 10.026 1.00 0.00 H new ATOM 0 HD3 LYS A 139 -7.442 -11.547 9.169 1.00 0.00 H new ATOM 0 HE2 LYS A 139 -8.915 -9.740 8.431 1.00 0.00 H new ATOM 0 HE3 LYS A 139 -10.331 -10.574 9.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 -9.308 -8.797 10.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 -9.649 -10.288 11.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 -8.054 -9.901 10.808 1.00 0.00 H new ATOM 2188 N GLU A 140 -9.442 -10.620 4.264 1.00 0.00 N ATOM 2189 CA GLU A 140 -10.232 -9.397 3.968 1.00 0.00 C ATOM 2190 C GLU A 140 -9.315 -8.220 3.669 1.00 0.00 C ATOM 2191 O GLU A 140 -8.936 -8.000 2.514 1.00 0.00 O ATOM 2192 CB GLU A 140 -11.223 -9.129 5.118 1.00 0.00 C ATOM 2193 CG GLU A 140 -12.682 -9.378 4.760 1.00 0.00 C ATOM 2194 CD GLU A 140 -13.443 -8.045 4.815 1.00 0.00 C ATOM 2195 OE1 GLU A 140 -13.364 -7.382 5.873 1.00 0.00 O ATOM 2196 OE2 GLU A 140 -14.057 -7.724 3.780 1.00 0.00 O ATOM 0 H GLU A 140 -9.509 -11.320 3.525 1.00 0.00 H new ATOM 0 HA GLU A 140 -10.824 -9.547 3.065 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -10.957 -9.760 5.966 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -11.112 -8.095 5.443 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -12.756 -9.814 3.764 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -13.124 -10.093 5.454 1.00 0.00 H new ATOM 2203 N ASN A 141 -8.838 -7.610 4.740 1.00 0.00 N ATOM 2204 CA ASN A 141 -7.876 -6.504 4.723 1.00 0.00 C ATOM 2205 C ASN A 141 -7.068 -6.429 6.026 1.00 0.00 C ATOM 2206 O ASN A 141 -6.537 -5.382 6.416 1.00 0.00 O ATOM 2207 CB ASN A 141 -8.652 -5.202 4.460 1.00 0.00 C ATOM 2208 CG ASN A 141 -7.712 -4.058 4.120 1.00 0.00 C ATOM 2209 OD1 ASN A 141 -6.545 -4.198 3.777 1.00 0.00 O ATOM 2210 ND2 ASN A 141 -8.251 -2.864 4.186 1.00 0.00 N ATOM 0 H ASN A 141 -9.116 -7.876 5.685 1.00 0.00 H new ATOM 0 HA ASN A 141 -7.146 -6.666 3.930 1.00 0.00 H new ATOM 0 HB2 ASN A 141 -9.354 -5.354 3.641 1.00 0.00 H new ATOM 0 HB3 ASN A 141 -9.240 -4.943 5.340 1.00 0.00 H new ATOM 0 HD21 ASN A 141 -7.697 -2.041 3.950 1.00 0.00 H new ATOM 0 HD22 ASN A 141 -9.224 -2.759 4.473 1.00 0.00 H new ATOM 2217 N GLN A 142 -6.957 -7.572 6.703 1.00 0.00 N ATOM 2218 CA GLN A 142 -6.214 -7.683 7.952 1.00 0.00 C ATOM 2219 C GLN A 142 -5.504 -9.032 8.060 1.00 0.00 C ATOM 2220 O GLN A 142 -5.733 -9.946 7.262 1.00 0.00 O ATOM 2221 CB GLN A 142 -7.141 -7.431 9.134 1.00 0.00 C ATOM 2222 CG GLN A 142 -6.540 -6.448 10.135 1.00 0.00 C ATOM 2223 CD GLN A 142 -6.303 -5.085 9.497 1.00 0.00 C ATOM 2224 OE1 GLN A 142 -7.203 -4.294 9.277 1.00 0.00 O ATOM 2225 NE2 GLN A 142 -5.044 -4.790 9.201 1.00 0.00 N ATOM 0 H GLN A 142 -7.382 -8.447 6.397 1.00 0.00 H new ATOM 0 HA GLN A 142 -5.436 -6.920 7.964 1.00 0.00 H new ATOM 0 HB2 GLN A 142 -8.093 -7.042 8.771 1.00 0.00 H new ATOM 0 HB3 GLN A 142 -7.353 -8.375 9.636 1.00 0.00 H new ATOM 0 HG2 GLN A 142 -7.209 -6.341 10.989 1.00 0.00 H new ATOM 0 HG3 GLN A 142 -5.598 -6.843 10.515 1.00 0.00 H new ATOM 0 HE21 GLN A 142 -4.304 -5.465 9.392 1.00 0.00 H new ATOM 0 HE22 GLN A 142 -4.816 -3.888 8.782 1.00 0.00 H new ATOM 2234 N GLY A 143 -4.573 -9.064 9.002 1.00 0.00 N ATOM 2235 CA GLY A 143 -3.727 -10.240 9.254 1.00 0.00 C ATOM 2236 C GLY A 143 -2.476 -10.159 8.370 1.00 0.00 C ATOM 2237 O GLY A 143 -2.410 -9.388 7.415 1.00 0.00 O ATOM 0 H GLY A 143 -4.376 -8.277 9.620 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -3.442 -10.280 10.305 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -4.280 -11.154 9.039 1.00 0.00 H new ATOM 2241 N GLU A 144 -1.465 -10.898 8.824 1.00 0.00 N ATOM 2242 CA GLU A 144 -0.157 -11.017 8.146 1.00 0.00 C ATOM 2243 C GLU A 144 -0.296 -11.073 6.619 1.00 0.00 C ATOM 2244 O GLU A 144 -1.042 -11.884 6.074 1.00 0.00 O ATOM 2245 CB GLU A 144 0.601 -12.251 8.656 1.00 0.00 C ATOM 2246 CG GLU A 144 -0.258 -13.524 8.683 1.00 0.00 C ATOM 2247 CD GLU A 144 0.341 -14.710 7.916 1.00 0.00 C ATOM 2248 OE1 GLU A 144 1.052 -14.482 6.920 1.00 0.00 O ATOM 2249 OE2 GLU A 144 0.036 -15.836 8.368 1.00 0.00 O ATOM 0 H GLU A 144 -1.523 -11.442 9.685 1.00 0.00 H new ATOM 0 HA GLU A 144 0.412 -10.119 8.387 1.00 0.00 H new ATOM 0 HB2 GLU A 144 1.471 -12.422 8.022 1.00 0.00 H new ATOM 0 HB3 GLU A 144 0.973 -12.051 9.661 1.00 0.00 H new ATOM 0 HG2 GLU A 144 -0.415 -13.820 9.720 1.00 0.00 H new ATOM 0 HG3 GLU A 144 -1.238 -13.295 8.265 1.00 0.00 H new ATOM 2256 N LEU A 145 0.233 -10.016 6.017 1.00 0.00 N ATOM 2257 CA LEU A 145 0.175 -9.840 4.558 1.00 0.00 C ATOM 2258 C LEU A 145 0.971 -10.963 3.889 1.00 0.00 C ATOM 2259 O LEU A 145 1.851 -11.571 4.485 1.00 0.00 O ATOM 2260 CB LEU A 145 0.730 -8.482 4.120 1.00 0.00 C ATOM 2261 CG LEU A 145 0.219 -7.316 4.961 1.00 0.00 C ATOM 2262 CD1 LEU A 145 1.349 -6.779 5.823 1.00 0.00 C ATOM 2263 CD2 LEU A 145 -0.252 -6.210 4.013 1.00 0.00 C ATOM 0 H LEU A 145 0.710 -9.262 6.511 1.00 0.00 H new ATOM 0 HA LEU A 145 -0.871 -9.878 4.253 1.00 0.00 H new ATOM 0 HB2 LEU A 145 1.818 -8.509 4.174 1.00 0.00 H new ATOM 0 HB3 LEU A 145 0.466 -8.310 3.076 1.00 0.00 H new ATOM 0 HG LEU A 145 -0.599 -7.647 5.601 1.00 0.00 H new ATOM 0 HD11 LEU A 145 0.984 -5.946 6.424 1.00 0.00 H new ATOM 0 HD12 LEU A 145 1.712 -7.569 6.480 1.00 0.00 H new ATOM 0 HD13 LEU A 145 2.163 -6.436 5.184 1.00 0.00 H new ATOM 0 HD21 LEU A 145 -0.622 -5.366 4.594 1.00 0.00 H new ATOM 0 HD22 LEU A 145 0.582 -5.885 3.391 1.00 0.00 H new ATOM 0 HD23 LEU A 145 -1.052 -6.591 3.378 1.00 0.00 H new ATOM 2275 N LYS A 146 0.583 -11.268 2.667 1.00 0.00 N ATOM 2276 CA LYS A 146 1.233 -12.296 1.850 1.00 0.00 C ATOM 2277 C LYS A 146 1.613 -11.713 0.497 1.00 0.00 C ATOM 2278 O LYS A 146 0.848 -10.978 -0.133 1.00 0.00 O ATOM 2279 CB LYS A 146 0.283 -13.492 1.690 1.00 0.00 C ATOM 2280 CG LYS A 146 0.888 -14.611 0.825 1.00 0.00 C ATOM 2281 CD LYS A 146 -0.037 -15.820 0.648 1.00 0.00 C ATOM 2282 CE LYS A 146 0.430 -16.980 1.517 1.00 0.00 C ATOM 2283 NZ LYS A 146 -0.356 -18.185 1.195 1.00 0.00 N ATOM 0 H LYS A 146 -0.200 -10.810 2.200 1.00 0.00 H new ATOM 0 HA LYS A 146 2.145 -12.639 2.339 1.00 0.00 H new ATOM 0 HB2 LYS A 146 0.036 -13.891 2.674 1.00 0.00 H new ATOM 0 HB3 LYS A 146 -0.650 -13.153 1.240 1.00 0.00 H new ATOM 0 HG2 LYS A 146 1.135 -14.206 -0.157 1.00 0.00 H new ATOM 0 HG3 LYS A 146 1.823 -14.943 1.277 1.00 0.00 H new ATOM 0 HD2 LYS A 146 -1.058 -15.546 0.914 1.00 0.00 H new ATOM 0 HD3 LYS A 146 -0.051 -16.124 -0.399 1.00 0.00 H new ATOM 0 HE2 LYS A 146 1.490 -17.169 1.350 1.00 0.00 H new ATOM 0 HE3 LYS A 146 0.314 -16.728 2.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 146 -0.037 -18.977 1.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 146 -1.363 -18.001 1.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 146 -0.223 -18.428 0.193 1.00 0.00 H new ATOM 2297 N LEU A 147 2.838 -12.070 0.116 1.00 0.00 N ATOM 2298 CA LEU A 147 3.410 -11.727 -1.196 1.00 0.00 C ATOM 2299 C LEU A 147 2.607 -12.415 -2.308 1.00 0.00 C ATOM 2300 O LEU A 147 2.663 -13.628 -2.468 1.00 0.00 O ATOM 2301 CB LEU A 147 4.894 -12.077 -1.217 1.00 0.00 C ATOM 2302 CG LEU A 147 5.467 -11.976 -2.642 1.00 0.00 C ATOM 2303 CD1 LEU A 147 5.923 -10.568 -2.964 1.00 0.00 C ATOM 2304 CD2 LEU A 147 6.582 -12.985 -2.844 1.00 0.00 C ATOM 0 H LEU A 147 3.470 -12.609 0.708 1.00 0.00 H new ATOM 0 HA LEU A 147 3.338 -10.654 -1.376 1.00 0.00 H new ATOM 0 HB2 LEU A 147 5.439 -11.405 -0.554 1.00 0.00 H new ATOM 0 HB3 LEU A 147 5.038 -13.088 -0.835 1.00 0.00 H new ATOM 0 HG LEU A 147 4.666 -12.216 -3.342 1.00 0.00 H new ATOM 0 HD11 LEU A 147 6.321 -10.537 -3.978 1.00 0.00 H new ATOM 0 HD12 LEU A 147 5.077 -9.885 -2.885 1.00 0.00 H new ATOM 0 HD13 LEU A 147 6.699 -10.267 -2.260 1.00 0.00 H new ATOM 0 HD21 LEU A 147 6.973 -12.897 -3.858 1.00 0.00 H new ATOM 0 HD22 LEU A 147 7.381 -12.792 -2.129 1.00 0.00 H new ATOM 0 HD23 LEU A 147 6.194 -13.992 -2.691 1.00 0.00 H new ATOM 2316 N CYS A 148 1.812 -11.584 -2.974 1.00 0.00 N ATOM 2317 CA CYS A 148 1.045 -11.994 -4.154 1.00 0.00 C ATOM 2318 C CYS A 148 2.020 -12.574 -5.185 1.00 0.00 C ATOM 2319 O CYS A 148 3.240 -12.458 -5.077 1.00 0.00 O ATOM 2320 CB CYS A 148 0.320 -10.786 -4.754 1.00 0.00 C ATOM 2321 SG CYS A 148 -0.649 -9.824 -3.526 1.00 0.00 S ATOM 0 H CYS A 148 1.679 -10.607 -2.714 1.00 0.00 H new ATOM 0 HA CYS A 148 0.303 -12.741 -3.873 1.00 0.00 H new ATOM 0 HB2 CYS A 148 1.053 -10.128 -5.221 1.00 0.00 H new ATOM 0 HB3 CYS A 148 -0.349 -11.130 -5.543 1.00 0.00 H new ATOM 2326 N SER A 149 1.478 -13.394 -6.063 1.00 0.00 N ATOM 2327 CA SER A 149 2.281 -14.055 -7.088 1.00 0.00 C ATOM 2328 C SER A 149 1.673 -13.825 -8.465 1.00 0.00 C ATOM 2329 O SER A 149 0.497 -13.532 -8.615 1.00 0.00 O ATOM 2330 CB SER A 149 2.399 -15.560 -6.819 1.00 0.00 C ATOM 2331 OG SER A 149 1.089 -16.146 -6.771 1.00 0.00 O ATOM 0 H SER A 149 0.484 -13.623 -6.092 1.00 0.00 H new ATOM 0 HA SER A 149 3.281 -13.622 -7.057 1.00 0.00 H new ATOM 0 HB2 SER A 149 2.992 -16.034 -7.601 1.00 0.00 H new ATOM 0 HB3 SER A 149 2.920 -15.731 -5.877 1.00 0.00 H new ATOM 0 HG SER A 149 1.167 -17.108 -6.601 1.00 0.00 H new ATOM 2337 N HIS A 150 2.511 -13.981 -9.475 1.00 0.00 N ATOM 2338 CA HIS A 150 2.087 -13.830 -10.874 1.00 0.00 C ATOM 2339 C HIS A 150 2.163 -15.115 -11.702 1.00 0.00 C ATOM 2340 O HIS A 150 2.217 -15.022 -12.954 1.00 0.00 O ATOM 2341 CB HIS A 150 2.863 -12.661 -11.486 1.00 0.00 C ATOM 2342 CG HIS A 150 4.383 -12.769 -11.373 1.00 0.00 C ATOM 2343 ND1 HIS A 150 5.203 -13.040 -12.377 1.00 0.00 N ATOM 2344 CD2 HIS A 150 5.118 -12.585 -10.274 1.00 0.00 C ATOM 2345 CE1 HIS A 150 6.447 -13.027 -11.906 1.00 0.00 C ATOM 2346 NE2 HIS A 150 6.387 -12.752 -10.608 1.00 0.00 N ATOM 2347 OXT HIS A 150 2.157 -16.192 -11.063 1.00 0.00 O ATOM 0 H HIS A 150 3.497 -14.214 -9.361 1.00 0.00 H new ATOM 0 HA HIS A 150 1.021 -13.605 -10.888 1.00 0.00 H new ATOM 0 HB2 HIS A 150 2.596 -12.579 -12.540 1.00 0.00 H new ATOM 0 HB3 HIS A 150 2.542 -11.738 -11.003 1.00 0.00 H new ATOM 0 HD2 HIS A 150 4.744 -12.343 -9.290 1.00 0.00 H new ATOM 0 HE1 HIS A 150 7.346 -13.208 -12.477 1.00 0.00 H new ATOM 0 HE2 HIS A 150 7.184 -12.682 -9.976 1.00 0.00 H new