USER MOD reduce.3.24.130724 H: found=0, std=0, add=1004, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1004 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 85 TYR OH : rot -139:sc= 0.185! USER MOD Set 1.2: A 87 SER OG : rot 180:sc= 0.965 USER MOD Set 1.3: A 93 GLN : amide:sc= 1.58 K(o=2.7,f=-5.5!) USER MOD Set 2.1: A 35 GLN : amide:sc= -2.07! C(o=-1.3!,f=-5.6!) USER MOD Set 2.2: A 80 THR OG1 : rot 180:sc= 0.804 USER MOD Set 3.1: A 29 THR OG1 : rot -92:sc= 0.00487 USER MOD Set 3.2: A 86 THR OG1 : rot -160:sc= 0.00469 USER MOD Set 4.1: A 23 LYS NZ :NH3+ 131:sc= 0.0294 (180deg=-0.233) USER MOD Set 4.2: A 114 ASN : amide:sc= -0.773 K(o=-0.74,f=-2.1) USER MOD Set 5.1: A 14 SER OG : rot 180:sc= 0.638 USER MOD Set 5.2: A 107 GLN : amide:sc= 0.766 K(o=1.4,f=-3.1!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -163:sc= 1.22 (180deg=0.979) USER MOD Single : A 2 ASN : amide:sc= -1.71 K(o=-1.7,f=0) USER MOD Single : A 8 GLN : amide:sc= -1.38! K(o=-1.4!,f=-0.032) USER MOD Single : A 9 GLN : amide:sc= -0.628 K(o=-0.63,f=0) USER MOD Single : A 10 SER OG : rot -21:sc= 0.459 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl 180:sc= -0.242 (180deg=-0.242) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0303) USER MOD Single : A 34 CYS SG : rot 49:sc= -1.47! USER MOD Single : A 37 HIS : no HD1:sc= -0.414 K(o=-0.41,f=-3.3!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 167:sc= -0.0329 (180deg=-0.183) USER MOD Single : A 47 TYR OH : rot -136:sc= 1.31 USER MOD Single : A 51 TYR OH : rot 21:sc= 0.978 USER MOD Single : A 53 GLN : amide:sc= -3.24! C(o=-3.2!,f=-8.5!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 MET CE :methyl 155:sc= 0 (180deg=-0.316) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc=-0.00364 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 41:sc= 2.33 USER MOD Single : A 89 SER OG : rot 158:sc= 0.922 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -0.771 K(o=-0.77,f=-6!) USER MOD Single : A 94 THR OG1 : rot 77:sc= 0.55 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= -0.967 K(o=-0.97,f=0) USER MOD Single : A 102 SER OG : rot 110:sc= -0.317 USER MOD Single : A 105 GLN : amide:sc= -0.993 K(o=-0.99,f=-0.095) USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 THR OG1 : rot -104:sc= 1.24 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 115 ASN : amide:sc= 0.794 K(o=0.79,f=-3.8!) USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 169:sc= 1.95 (180deg=1.75) USER MOD Single : A 125 HIS : no HE2:sc= 0.853 K(o=0.85,f=-4.6!) USER MOD Single : A 126 HIS : no HD1:sc= -0.0555 X(o=-0.056,f=-0.0065) USER MOD Single : A 127 HIS : no HD1:sc= -0.531 X(o=-0.53,f=-0.38) USER MOD Single : A 128 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 129 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 130 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.174 -23.143 16.312 1.00 0.00 N ATOM 2 CA MET A 1 6.566 -23.594 16.571 1.00 0.00 C ATOM 3 C MET A 1 6.544 -25.015 17.125 1.00 0.00 C ATOM 4 O MET A 1 5.691 -25.803 16.733 1.00 0.00 O ATOM 5 CB MET A 1 7.252 -22.637 17.547 1.00 0.00 C ATOM 6 CG MET A 1 7.298 -21.205 17.047 1.00 0.00 C ATOM 7 SD MET A 1 8.040 -21.077 15.410 1.00 0.00 S ATOM 8 CE MET A 1 7.814 -19.329 15.082 1.00 0.00 C ATOM 0 H1 MET A 1 5.189 -22.316 15.681 1.00 0.00 H new ATOM 0 H2 MET A 1 4.638 -23.912 15.862 1.00 0.00 H new ATOM 0 H3 MET A 1 4.720 -22.885 17.211 1.00 0.00 H new ATOM 0 HA MET A 1 7.132 -23.591 15.640 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.728 -22.665 18.502 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.269 -22.984 17.731 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.287 -20.800 17.018 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.866 -20.595 17.750 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.223 -19.087 14.101 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.751 -19.090 15.101 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.331 -18.746 15.844 1.00 0.00 H new ATOM 20 N ASN A 2 7.474 -25.353 18.026 1.00 0.00 N ATOM 21 CA ASN A 2 7.473 -26.682 18.668 1.00 0.00 C ATOM 22 C ASN A 2 6.170 -26.914 19.441 1.00 0.00 C ATOM 23 O ASN A 2 5.809 -28.046 19.756 1.00 0.00 O ATOM 24 CB ASN A 2 8.680 -26.865 19.607 1.00 0.00 C ATOM 25 CG ASN A 2 8.589 -26.077 20.909 1.00 0.00 C ATOM 26 OD1 ASN A 2 8.984 -26.571 21.966 1.00 0.00 O ATOM 27 ND2 ASN A 2 8.117 -24.841 20.845 1.00 0.00 N ATOM 0 H ASN A 2 8.229 -24.737 18.327 1.00 0.00 H new ATOM 0 HA ASN A 2 7.550 -27.422 17.871 1.00 0.00 H new ATOM 0 HB2 ASN A 2 8.784 -27.924 19.844 1.00 0.00 H new ATOM 0 HB3 ASN A 2 9.585 -26.566 19.078 1.00 0.00 H new ATOM 0 HD21 ASN A 2 8.073 -24.268 21.688 1.00 0.00 H new ATOM 0 HD22 ASN A 2 7.798 -24.462 19.953 1.00 0.00 H new ATOM 34 N ASP A 3 5.485 -25.820 19.745 1.00 0.00 N ATOM 35 CA ASP A 3 4.148 -25.851 20.337 1.00 0.00 C ATOM 36 C ASP A 3 3.146 -26.515 19.396 1.00 0.00 C ATOM 37 O ASP A 3 2.076 -26.956 19.821 1.00 0.00 O ATOM 38 CB ASP A 3 3.701 -24.422 20.648 1.00 0.00 C ATOM 39 CG ASP A 3 4.273 -23.424 19.658 1.00 0.00 C ATOM 40 OD1 ASP A 3 3.646 -23.168 18.608 1.00 0.00 O ATOM 41 OD2 ASP A 3 5.383 -22.913 19.913 1.00 0.00 O ATOM 0 H ASP A 3 5.841 -24.877 19.588 1.00 0.00 H new ATOM 0 HA ASP A 3 4.187 -26.436 21.256 1.00 0.00 H new ATOM 0 HB2 ASP A 3 2.612 -24.370 20.629 1.00 0.00 H new ATOM 0 HB3 ASP A 3 4.016 -24.154 21.657 1.00 0.00 H new ATOM 46 N ASP A 4 3.519 -26.572 18.119 1.00 0.00 N ATOM 47 CA ASP A 4 2.731 -27.220 17.071 1.00 0.00 C ATOM 48 C ASP A 4 1.420 -26.490 16.803 1.00 0.00 C ATOM 49 O ASP A 4 0.514 -26.473 17.636 1.00 0.00 O ATOM 50 CB ASP A 4 2.456 -28.690 17.406 1.00 0.00 C ATOM 51 CG ASP A 4 1.579 -29.364 16.369 1.00 0.00 C ATOM 52 OD1 ASP A 4 2.096 -29.736 15.294 1.00 0.00 O ATOM 53 OD2 ASP A 4 0.371 -29.530 16.620 1.00 0.00 O ATOM 0 H ASP A 4 4.389 -26.164 17.778 1.00 0.00 H new ATOM 0 HA ASP A 4 3.331 -27.175 16.162 1.00 0.00 H new ATOM 0 HB2 ASP A 4 3.402 -29.226 17.482 1.00 0.00 H new ATOM 0 HB3 ASP A 4 1.975 -28.754 18.382 1.00 0.00 H new ATOM 58 N VAL A 5 1.336 -25.869 15.640 1.00 0.00 N ATOM 59 CA VAL A 5 0.088 -25.289 15.187 1.00 0.00 C ATOM 60 C VAL A 5 -0.618 -26.278 14.263 1.00 0.00 C ATOM 61 O VAL A 5 -0.122 -26.619 13.184 1.00 0.00 O ATOM 62 CB VAL A 5 0.295 -23.920 14.488 1.00 0.00 C ATOM 63 CG1 VAL A 5 1.271 -24.018 13.325 1.00 0.00 C ATOM 64 CG2 VAL A 5 -1.035 -23.351 14.020 1.00 0.00 C ATOM 0 H VAL A 5 2.117 -25.754 14.994 1.00 0.00 H new ATOM 0 HA VAL A 5 -0.537 -25.095 16.059 1.00 0.00 H new ATOM 0 HB VAL A 5 0.729 -23.242 15.223 1.00 0.00 H new ATOM 0 HG11 VAL A 5 1.387 -23.037 12.864 1.00 0.00 H new ATOM 0 HG12 VAL A 5 2.238 -24.364 13.690 1.00 0.00 H new ATOM 0 HG13 VAL A 5 0.888 -24.723 12.587 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -0.868 -22.391 13.532 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -1.498 -24.041 13.314 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.694 -23.213 14.877 1.00 0.00 H new ATOM 74 N ASP A 6 -1.754 -26.776 14.713 1.00 0.00 N ATOM 75 CA ASP A 6 -2.492 -27.792 13.981 1.00 0.00 C ATOM 76 C ASP A 6 -3.516 -27.147 13.054 1.00 0.00 C ATOM 77 O ASP A 6 -3.326 -26.017 12.599 1.00 0.00 O ATOM 78 CB ASP A 6 -3.177 -28.748 14.966 1.00 0.00 C ATOM 79 CG ASP A 6 -4.201 -28.057 15.842 1.00 0.00 C ATOM 80 OD1 ASP A 6 -3.800 -27.280 16.732 1.00 0.00 O ATOM 81 OD2 ASP A 6 -5.410 -28.297 15.646 1.00 0.00 O ATOM 0 H ASP A 6 -2.190 -26.491 15.590 1.00 0.00 H new ATOM 0 HA ASP A 6 -1.795 -28.362 13.367 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -3.664 -29.548 14.409 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -2.421 -29.214 15.598 1.00 0.00 H new ATOM 86 N ILE A 7 -4.580 -27.878 12.748 1.00 0.00 N ATOM 87 CA ILE A 7 -5.648 -27.367 11.897 1.00 0.00 C ATOM 88 C ILE A 7 -6.317 -26.163 12.559 1.00 0.00 C ATOM 89 O ILE A 7 -6.801 -25.250 11.881 1.00 0.00 O ATOM 90 CB ILE A 7 -6.703 -28.461 11.613 1.00 0.00 C ATOM 91 CG1 ILE A 7 -6.024 -29.715 11.051 1.00 0.00 C ATOM 92 CG2 ILE A 7 -7.763 -27.948 10.646 1.00 0.00 C ATOM 93 CD1 ILE A 7 -6.968 -30.884 10.848 1.00 0.00 C ATOM 0 H ILE A 7 -4.727 -28.832 13.078 1.00 0.00 H new ATOM 0 HA ILE A 7 -5.207 -27.060 10.949 1.00 0.00 H new ATOM 0 HB ILE A 7 -7.196 -28.720 12.550 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -5.557 -29.467 10.098 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -5.225 -30.018 11.728 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -8.496 -28.733 10.459 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -8.262 -27.081 11.080 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -7.290 -27.662 9.706 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -6.414 -31.734 10.448 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -7.416 -31.160 11.803 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -7.753 -30.600 10.147 1.00 0.00 H new ATOM 105 N GLN A 8 -6.317 -26.170 13.887 1.00 0.00 N ATOM 106 CA GLN A 8 -6.849 -25.069 14.675 1.00 0.00 C ATOM 107 C GLN A 8 -6.016 -23.806 14.454 1.00 0.00 C ATOM 108 O GLN A 8 -4.788 -23.833 14.555 1.00 0.00 O ATOM 109 CB GLN A 8 -6.842 -25.463 16.152 1.00 0.00 C ATOM 110 CG GLN A 8 -7.442 -24.428 17.085 1.00 0.00 C ATOM 111 CD GLN A 8 -7.368 -24.861 18.536 1.00 0.00 C ATOM 112 OE1 GLN A 8 -8.225 -24.507 19.344 1.00 0.00 O ATOM 113 NE2 GLN A 8 -6.346 -25.632 18.876 1.00 0.00 N ATOM 0 H GLN A 8 -5.948 -26.939 14.446 1.00 0.00 H new ATOM 0 HA GLN A 8 -7.872 -24.858 14.362 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -7.390 -26.398 16.268 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -5.814 -25.656 16.458 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -6.917 -23.481 16.962 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -8.483 -24.253 16.811 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -5.656 -25.903 18.175 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -6.249 -25.954 19.839 1.00 0.00 H new ATOM 122 N GLN A 9 -6.685 -22.705 14.150 1.00 0.00 N ATOM 123 CA GLN A 9 -6.001 -21.460 13.840 1.00 0.00 C ATOM 124 C GLN A 9 -5.907 -20.563 15.069 1.00 0.00 C ATOM 125 O GLN A 9 -6.582 -20.790 16.073 1.00 0.00 O ATOM 126 CB GLN A 9 -6.733 -20.730 12.709 1.00 0.00 C ATOM 127 CG GLN A 9 -8.187 -20.422 13.026 1.00 0.00 C ATOM 128 CD GLN A 9 -8.942 -19.840 11.847 1.00 0.00 C ATOM 129 OE1 GLN A 9 -10.143 -20.052 11.710 1.00 0.00 O ATOM 130 NE2 GLN A 9 -8.250 -19.106 10.988 1.00 0.00 N ATOM 0 H GLN A 9 -7.703 -22.648 14.111 1.00 0.00 H new ATOM 0 HA GLN A 9 -4.987 -21.698 13.518 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -6.212 -19.798 12.492 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -6.688 -21.338 11.806 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -8.683 -21.336 13.352 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -8.230 -19.721 13.860 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -7.253 -18.952 11.136 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -8.715 -18.695 10.179 1.00 0.00 H new ATOM 139 N SER A 10 -5.062 -19.547 14.981 1.00 0.00 N ATOM 140 CA SER A 10 -4.905 -18.579 16.057 1.00 0.00 C ATOM 141 C SER A 10 -5.665 -17.301 15.720 1.00 0.00 C ATOM 142 O SER A 10 -5.726 -16.371 16.529 1.00 0.00 O ATOM 143 CB SER A 10 -3.417 -18.268 16.278 1.00 0.00 C ATOM 144 OG SER A 10 -3.238 -17.268 17.273 1.00 0.00 O ATOM 0 H SER A 10 -4.470 -19.371 14.169 1.00 0.00 H new ATOM 0 HA SER A 10 -5.313 -19.002 16.975 1.00 0.00 H new ATOM 0 HB2 SER A 10 -2.894 -19.177 16.575 1.00 0.00 H new ATOM 0 HB3 SER A 10 -2.970 -17.935 15.341 1.00 0.00 H new ATOM 0 HG SER A 10 -4.068 -16.757 17.376 1.00 0.00 H new ATOM 150 N TYR A 11 -6.246 -17.286 14.520 1.00 0.00 N ATOM 151 CA TYR A 11 -6.917 -16.109 13.976 1.00 0.00 C ATOM 152 C TYR A 11 -5.952 -14.937 13.849 1.00 0.00 C ATOM 153 O TYR A 11 -5.832 -14.105 14.747 1.00 0.00 O ATOM 154 CB TYR A 11 -8.145 -15.721 14.804 1.00 0.00 C ATOM 155 CG TYR A 11 -9.404 -16.425 14.356 1.00 0.00 C ATOM 156 CD1 TYR A 11 -10.082 -15.994 13.226 1.00 0.00 C ATOM 157 CD2 TYR A 11 -9.907 -17.522 15.044 1.00 0.00 C ATOM 158 CE1 TYR A 11 -11.226 -16.629 12.792 1.00 0.00 C ATOM 159 CE2 TYR A 11 -11.054 -18.168 14.616 1.00 0.00 C ATOM 160 CZ TYR A 11 -11.709 -17.716 13.487 1.00 0.00 C ATOM 161 OH TYR A 11 -12.849 -18.354 13.048 1.00 0.00 O ATOM 0 H TYR A 11 -6.264 -18.094 13.897 1.00 0.00 H new ATOM 0 HA TYR A 11 -7.267 -16.370 12.977 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -7.958 -15.954 15.852 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -8.295 -14.643 14.739 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -9.707 -15.144 12.675 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -9.395 -17.876 15.927 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -11.741 -16.276 11.911 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -11.434 -19.019 15.161 1.00 0.00 H new ATOM 0 HH TYR A 11 -13.057 -19.101 13.647 1.00 0.00 H new ATOM 171 N PRO A 12 -5.221 -14.891 12.729 1.00 0.00 N ATOM 172 CA PRO A 12 -4.280 -13.826 12.445 1.00 0.00 C ATOM 173 C PRO A 12 -4.940 -12.663 11.712 1.00 0.00 C ATOM 174 O PRO A 12 -5.913 -12.847 10.979 1.00 0.00 O ATOM 175 CB PRO A 12 -3.260 -14.523 11.548 1.00 0.00 C ATOM 176 CG PRO A 12 -4.044 -15.555 10.804 1.00 0.00 C ATOM 177 CD PRO A 12 -5.254 -15.888 11.646 1.00 0.00 C ATOM 0 HA PRO A 12 -3.853 -13.384 13.345 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -2.787 -13.817 10.865 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.464 -14.980 12.136 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -4.347 -15.178 9.827 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -3.440 -16.445 10.629 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -6.175 -15.818 11.067 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -5.200 -16.904 12.037 1.00 0.00 H new ATOM 185 N PHE A 13 -4.416 -11.470 11.915 1.00 0.00 N ATOM 186 CA PHE A 13 -4.946 -10.296 11.246 1.00 0.00 C ATOM 187 C PHE A 13 -4.321 -10.147 9.868 1.00 0.00 C ATOM 188 O PHE A 13 -3.120 -10.364 9.691 1.00 0.00 O ATOM 189 CB PHE A 13 -4.709 -9.050 12.099 1.00 0.00 C ATOM 190 CG PHE A 13 -5.400 -9.131 13.428 1.00 0.00 C ATOM 191 CD1 PHE A 13 -6.743 -8.814 13.537 1.00 0.00 C ATOM 192 CD2 PHE A 13 -4.715 -9.546 14.561 1.00 0.00 C ATOM 193 CE1 PHE A 13 -7.394 -8.912 14.752 1.00 0.00 C ATOM 194 CE2 PHE A 13 -5.360 -9.640 15.780 1.00 0.00 C ATOM 195 CZ PHE A 13 -6.701 -9.323 15.875 1.00 0.00 C ATOM 0 H PHE A 13 -3.627 -11.287 12.535 1.00 0.00 H new ATOM 0 HA PHE A 13 -6.021 -10.416 11.116 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -3.638 -8.918 12.256 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -5.063 -8.171 11.561 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -7.288 -8.487 12.664 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -3.667 -9.798 14.490 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -8.444 -8.668 14.824 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -4.816 -9.961 16.656 1.00 0.00 H new ATOM 0 HZ PHE A 13 -7.208 -9.396 16.826 1.00 0.00 H new ATOM 205 N SER A 14 -5.146 -9.788 8.899 1.00 0.00 N ATOM 206 CA SER A 14 -4.714 -9.686 7.519 1.00 0.00 C ATOM 207 C SER A 14 -5.539 -8.620 6.808 1.00 0.00 C ATOM 208 O SER A 14 -6.526 -8.124 7.359 1.00 0.00 O ATOM 209 CB SER A 14 -4.865 -11.047 6.828 1.00 0.00 C ATOM 210 OG SER A 14 -4.252 -11.056 5.550 1.00 0.00 O ATOM 0 H SER A 14 -6.129 -9.560 9.047 1.00 0.00 H new ATOM 0 HA SER A 14 -3.664 -9.397 7.480 1.00 0.00 H new ATOM 0 HB2 SER A 14 -4.420 -11.823 7.451 1.00 0.00 H new ATOM 0 HB3 SER A 14 -5.923 -11.288 6.726 1.00 0.00 H new ATOM 0 HG SER A 14 -4.366 -11.938 5.139 1.00 0.00 H new ATOM 216 N ILE A 15 -5.141 -8.268 5.595 1.00 0.00 N ATOM 217 CA ILE A 15 -5.796 -7.202 4.857 1.00 0.00 C ATOM 218 C ILE A 15 -6.096 -7.638 3.431 1.00 0.00 C ATOM 219 O ILE A 15 -5.256 -8.238 2.762 1.00 0.00 O ATOM 220 CB ILE A 15 -4.934 -5.916 4.852 1.00 0.00 C ATOM 221 CG1 ILE A 15 -4.775 -5.400 6.287 1.00 0.00 C ATOM 222 CG2 ILE A 15 -5.549 -4.845 3.958 1.00 0.00 C ATOM 223 CD1 ILE A 15 -4.063 -4.071 6.401 1.00 0.00 C ATOM 0 H ILE A 15 -4.365 -8.708 5.100 1.00 0.00 H new ATOM 0 HA ILE A 15 -6.738 -6.981 5.360 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.951 -6.155 4.447 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -5.763 -5.308 6.738 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.227 -6.142 6.868 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -4.922 -3.954 3.974 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -5.620 -5.220 2.937 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -6.545 -4.595 4.323 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.995 -3.783 7.450 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -3.060 -4.159 5.983 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -4.620 -3.312 5.852 1.00 0.00 H new ATOM 235 N GLU A 16 -7.311 -7.361 2.985 1.00 0.00 N ATOM 236 CA GLU A 16 -7.709 -7.656 1.622 1.00 0.00 C ATOM 237 C GLU A 16 -7.688 -6.371 0.802 1.00 0.00 C ATOM 238 O GLU A 16 -7.891 -5.279 1.338 1.00 0.00 O ATOM 239 CB GLU A 16 -9.098 -8.294 1.599 1.00 0.00 C ATOM 240 CG GLU A 16 -10.188 -7.393 2.146 1.00 0.00 C ATOM 241 CD GLU A 16 -11.529 -8.085 2.230 1.00 0.00 C ATOM 242 OE1 GLU A 16 -12.212 -8.189 1.190 1.00 0.00 O ATOM 243 OE2 GLU A 16 -11.916 -8.520 3.337 1.00 0.00 O ATOM 0 H GLU A 16 -8.041 -6.930 3.552 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.008 -8.367 1.185 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.346 -8.569 0.574 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -9.075 -9.216 2.180 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -9.901 -7.044 3.138 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -10.278 -6.511 1.511 1.00 0.00 H new ATOM 250 N THR A 17 -7.438 -6.501 -0.486 1.00 0.00 N ATOM 251 CA THR A 17 -7.273 -5.343 -1.352 1.00 0.00 C ATOM 252 C THR A 17 -8.124 -5.463 -2.609 1.00 0.00 C ATOM 253 O THR A 17 -8.520 -6.563 -3.002 1.00 0.00 O ATOM 254 CB THR A 17 -5.797 -5.166 -1.761 1.00 0.00 C ATOM 255 OG1 THR A 17 -5.263 -6.419 -2.213 1.00 0.00 O ATOM 256 CG2 THR A 17 -4.966 -4.646 -0.596 1.00 0.00 C ATOM 0 H THR A 17 -7.344 -7.399 -0.960 1.00 0.00 H new ATOM 0 HA THR A 17 -7.600 -4.472 -0.784 1.00 0.00 H new ATOM 0 HB THR A 17 -5.752 -4.436 -2.569 1.00 0.00 H new ATOM 0 HG1 THR A 17 -4.326 -6.300 -2.473 1.00 0.00 H new ATOM 0 HG21 THR A 17 -3.929 -4.530 -0.912 1.00 0.00 H new ATOM 0 HG22 THR A 17 -5.357 -3.681 -0.272 1.00 0.00 H new ATOM 0 HG23 THR A 17 -5.016 -5.354 0.231 1.00 0.00 H new ATOM 264 N MET A 18 -8.420 -4.327 -3.223 1.00 0.00 N ATOM 265 CA MET A 18 -9.114 -4.309 -4.502 1.00 0.00 C ATOM 266 C MET A 18 -8.095 -4.243 -5.638 1.00 0.00 C ATOM 267 O MET A 18 -7.248 -3.350 -5.662 1.00 0.00 O ATOM 268 CB MET A 18 -10.082 -3.124 -4.580 1.00 0.00 C ATOM 269 CG MET A 18 -11.190 -3.182 -3.542 1.00 0.00 C ATOM 270 SD MET A 18 -12.361 -1.816 -3.688 1.00 0.00 S ATOM 271 CE MET A 18 -13.487 -2.185 -2.340 1.00 0.00 C ATOM 0 H MET A 18 -8.190 -3.404 -2.855 1.00 0.00 H new ATOM 0 HA MET A 18 -9.697 -5.225 -4.598 1.00 0.00 H new ATOM 0 HB2 MET A 18 -9.522 -2.198 -4.452 1.00 0.00 H new ATOM 0 HB3 MET A 18 -10.527 -3.092 -5.575 1.00 0.00 H new ATOM 0 HG2 MET A 18 -11.726 -4.126 -3.642 1.00 0.00 H new ATOM 0 HG3 MET A 18 -10.748 -3.171 -2.545 1.00 0.00 H new ATOM 0 HE1 MET A 18 -14.269 -1.427 -2.301 1.00 0.00 H new ATOM 0 HE2 MET A 18 -13.938 -3.164 -2.501 1.00 0.00 H new ATOM 0 HE3 MET A 18 -12.938 -2.189 -1.398 1.00 0.00 H new ATOM 281 N PRO A 19 -8.161 -5.206 -6.575 1.00 0.00 N ATOM 282 CA PRO A 19 -7.188 -5.336 -7.674 1.00 0.00 C ATOM 283 C PRO A 19 -7.006 -4.055 -8.486 1.00 0.00 C ATOM 284 O PRO A 19 -7.977 -3.386 -8.848 1.00 0.00 O ATOM 285 CB PRO A 19 -7.787 -6.438 -8.550 1.00 0.00 C ATOM 286 CG PRO A 19 -8.624 -7.240 -7.617 1.00 0.00 C ATOM 287 CD PRO A 19 -9.191 -6.259 -6.631 1.00 0.00 C ATOM 0 HA PRO A 19 -6.192 -5.557 -7.291 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -8.384 -6.020 -9.360 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -7.009 -7.048 -9.009 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -9.418 -7.760 -8.153 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -8.028 -8.001 -7.113 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -10.152 -5.865 -6.962 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -9.353 -6.717 -5.655 1.00 0.00 H new ATOM 295 N VAL A 20 -5.752 -3.735 -8.779 1.00 0.00 N ATOM 296 CA VAL A 20 -5.408 -2.533 -9.525 1.00 0.00 C ATOM 297 C VAL A 20 -5.241 -2.838 -11.014 1.00 0.00 C ATOM 298 O VAL A 20 -5.168 -4.005 -11.408 1.00 0.00 O ATOM 299 CB VAL A 20 -4.101 -1.907 -8.989 1.00 0.00 C ATOM 300 CG1 VAL A 20 -4.264 -1.482 -7.541 1.00 0.00 C ATOM 301 CG2 VAL A 20 -2.935 -2.878 -9.130 1.00 0.00 C ATOM 0 H VAL A 20 -4.948 -4.300 -8.507 1.00 0.00 H new ATOM 0 HA VAL A 20 -6.227 -1.826 -9.394 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.883 -1.022 -9.586 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.332 -1.044 -7.183 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.064 -0.745 -7.466 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.513 -2.351 -6.933 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.027 -2.414 -8.746 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -3.146 -3.785 -8.564 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.797 -3.130 -10.181 1.00 0.00 H new ATOM 311 N PRO A 21 -5.212 -1.795 -11.862 1.00 0.00 N ATOM 312 CA PRO A 21 -4.917 -1.942 -13.291 1.00 0.00 C ATOM 313 C PRO A 21 -3.522 -2.517 -13.520 1.00 0.00 C ATOM 314 O PRO A 21 -2.623 -2.329 -12.701 1.00 0.00 O ATOM 315 CB PRO A 21 -5.002 -0.510 -13.836 1.00 0.00 C ATOM 316 CG PRO A 21 -5.794 0.243 -12.825 1.00 0.00 C ATOM 317 CD PRO A 21 -5.486 -0.395 -11.502 1.00 0.00 C ATOM 0 HA PRO A 21 -5.605 -2.630 -13.782 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -4.010 -0.077 -13.962 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -5.486 -0.488 -14.812 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -5.521 1.298 -12.822 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -6.860 0.190 -13.045 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -4.628 0.072 -11.019 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -6.324 -0.313 -10.810 1.00 0.00 H new ATOM 325 N LYS A 22 -3.342 -3.213 -14.633 1.00 0.00 N ATOM 326 CA LYS A 22 -2.071 -3.868 -14.916 1.00 0.00 C ATOM 327 C LYS A 22 -1.212 -3.006 -15.828 1.00 0.00 C ATOM 328 O LYS A 22 -0.002 -3.212 -15.936 1.00 0.00 O ATOM 329 CB LYS A 22 -2.290 -5.256 -15.535 1.00 0.00 C ATOM 330 CG LYS A 22 -2.783 -6.310 -14.541 1.00 0.00 C ATOM 331 CD LYS A 22 -4.202 -6.032 -14.070 1.00 0.00 C ATOM 332 CE LYS A 22 -4.600 -6.908 -12.890 1.00 0.00 C ATOM 333 NZ LYS A 22 -4.637 -8.353 -13.241 1.00 0.00 N ATOM 0 H LYS A 22 -4.055 -3.339 -15.352 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.545 -3.999 -13.970 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -3.013 -5.171 -16.347 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.354 -5.598 -15.976 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -2.742 -7.294 -15.007 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -2.115 -6.337 -13.680 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -4.290 -4.983 -13.787 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -4.896 -6.199 -14.894 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -3.895 -6.754 -12.073 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -5.581 -6.600 -12.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -4.913 -8.906 -12.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -5.329 -8.508 -14.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -3.695 -8.657 -13.562 1.00 0.00 H new ATOM 347 N LYS A 23 -1.845 -2.041 -16.482 1.00 0.00 N ATOM 348 CA LYS A 23 -1.142 -1.089 -17.331 1.00 0.00 C ATOM 349 C LYS A 23 -1.680 0.320 -17.113 1.00 0.00 C ATOM 350 O LYS A 23 -2.859 0.588 -17.340 1.00 0.00 O ATOM 351 CB LYS A 23 -1.264 -1.479 -18.807 1.00 0.00 C ATOM 352 CG LYS A 23 -0.313 -2.589 -19.233 1.00 0.00 C ATOM 353 CD LYS A 23 1.142 -2.159 -19.087 1.00 0.00 C ATOM 354 CE LYS A 23 2.105 -3.217 -19.606 1.00 0.00 C ATOM 355 NZ LYS A 23 1.910 -3.491 -21.056 1.00 0.00 N ATOM 0 H LYS A 23 -2.854 -1.897 -16.439 1.00 0.00 H new ATOM 0 HA LYS A 23 -0.087 -1.108 -17.057 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.288 -1.795 -19.006 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -1.078 -0.598 -19.422 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -0.494 -3.478 -18.628 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -0.511 -2.863 -20.269 1.00 0.00 H new ATOM 0 HD2 LYS A 23 1.301 -1.227 -19.630 1.00 0.00 H new ATOM 0 HD3 LYS A 23 1.357 -1.957 -18.038 1.00 0.00 H new ATOM 0 HE2 LYS A 23 3.130 -2.888 -19.435 1.00 0.00 H new ATOM 0 HE3 LYS A 23 1.967 -4.139 -19.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 2.829 -3.461 -21.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 1.485 -4.432 -21.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 1.280 -2.771 -21.464 1.00 0.00 H new ATOM 369 N LEU A 24 -0.810 1.214 -16.661 1.00 0.00 N ATOM 370 CA LEU A 24 -1.198 2.590 -16.386 1.00 0.00 C ATOM 371 C LEU A 24 -0.303 3.556 -17.152 1.00 0.00 C ATOM 372 O LEU A 24 0.710 3.152 -17.723 1.00 0.00 O ATOM 373 CB LEU A 24 -1.108 2.905 -14.881 1.00 0.00 C ATOM 374 CG LEU A 24 -1.983 2.051 -13.957 1.00 0.00 C ATOM 375 CD1 LEU A 24 -1.305 0.730 -13.630 1.00 0.00 C ATOM 376 CD2 LEU A 24 -2.305 2.809 -12.679 1.00 0.00 C ATOM 0 H LEU A 24 0.172 1.009 -16.477 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.232 2.711 -16.709 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.070 2.793 -14.569 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.374 3.952 -14.734 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.914 1.835 -14.481 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.948 0.144 -12.973 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.125 0.175 -14.551 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.355 0.922 -13.131 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.927 2.188 -12.034 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.379 3.057 -12.160 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.840 3.726 -12.925 1.00 0.00 H new ATOM 388 N LYS A 25 -0.689 4.824 -17.166 1.00 0.00 N ATOM 389 CA LYS A 25 0.132 5.878 -17.754 1.00 0.00 C ATOM 390 C LYS A 25 1.046 6.478 -16.696 1.00 0.00 C ATOM 391 O LYS A 25 0.799 6.327 -15.499 1.00 0.00 O ATOM 392 CB LYS A 25 -0.751 6.986 -18.334 1.00 0.00 C ATOM 393 CG LYS A 25 -1.482 6.607 -19.611 1.00 0.00 C ATOM 394 CD LYS A 25 -0.527 6.499 -20.788 1.00 0.00 C ATOM 395 CE LYS A 25 -1.279 6.332 -22.102 1.00 0.00 C ATOM 396 NZ LYS A 25 -2.085 5.080 -22.134 1.00 0.00 N ATOM 0 H LYS A 25 -1.572 5.151 -16.774 1.00 0.00 H new ATOM 0 HA LYS A 25 0.730 5.438 -18.552 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.485 7.278 -17.583 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.131 7.861 -18.531 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.995 5.656 -19.469 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -2.247 7.353 -19.829 1.00 0.00 H new ATOM 0 HD2 LYS A 25 0.097 7.392 -20.835 1.00 0.00 H new ATOM 0 HD3 LYS A 25 0.141 5.651 -20.639 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.936 7.189 -22.254 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -0.567 6.325 -22.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.525 4.974 -23.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.467 4.264 -21.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.827 5.126 -21.406 1.00 0.00 H new ATOM 410 N VAL A 26 2.099 7.153 -17.129 1.00 0.00 N ATOM 411 CA VAL A 26 2.945 7.888 -16.200 1.00 0.00 C ATOM 412 C VAL A 26 2.218 9.151 -15.755 1.00 0.00 C ATOM 413 O VAL A 26 1.972 10.056 -16.552 1.00 0.00 O ATOM 414 CB VAL A 26 4.313 8.255 -16.815 1.00 0.00 C ATOM 415 CG1 VAL A 26 5.162 9.032 -15.820 1.00 0.00 C ATOM 416 CG2 VAL A 26 5.041 7.002 -17.269 1.00 0.00 C ATOM 0 H VAL A 26 2.387 7.208 -18.106 1.00 0.00 H new ATOM 0 HA VAL A 26 3.143 7.242 -15.344 1.00 0.00 H new ATOM 0 HB VAL A 26 4.138 8.891 -17.683 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.121 9.280 -16.275 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.645 9.950 -15.540 1.00 0.00 H new ATOM 0 HG13 VAL A 26 5.329 8.424 -14.931 1.00 0.00 H new ATOM 0 HG21 VAL A 26 6.004 7.277 -17.700 1.00 0.00 H new ATOM 0 HG22 VAL A 26 5.201 6.344 -16.415 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.442 6.485 -18.018 1.00 0.00 H new ATOM 426 N GLY A 27 1.859 9.190 -14.485 1.00 0.00 N ATOM 427 CA GLY A 27 1.026 10.258 -13.979 1.00 0.00 C ATOM 428 C GLY A 27 -0.336 9.741 -13.570 1.00 0.00 C ATOM 429 O GLY A 27 -1.133 10.459 -12.967 1.00 0.00 O ATOM 0 H GLY A 27 2.132 8.496 -13.789 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.512 10.728 -13.124 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.912 11.027 -14.743 1.00 0.00 H new ATOM 433 N GLU A 28 -0.600 8.484 -13.907 1.00 0.00 N ATOM 434 CA GLU A 28 -1.845 7.830 -13.538 1.00 0.00 C ATOM 435 C GLU A 28 -1.740 7.308 -12.111 1.00 0.00 C ATOM 436 O GLU A 28 -0.673 6.865 -11.684 1.00 0.00 O ATOM 437 CB GLU A 28 -2.150 6.690 -14.517 1.00 0.00 C ATOM 438 CG GLU A 28 -3.449 5.954 -14.233 1.00 0.00 C ATOM 439 CD GLU A 28 -4.639 6.885 -14.154 1.00 0.00 C ATOM 440 OE1 GLU A 28 -5.101 7.361 -15.208 1.00 0.00 O ATOM 441 OE2 GLU A 28 -5.115 7.147 -13.035 1.00 0.00 O ATOM 0 H GLU A 28 0.040 7.895 -14.440 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.664 8.548 -13.588 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -2.189 7.095 -15.528 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.328 5.975 -14.492 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.622 5.215 -15.015 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.356 5.409 -13.294 1.00 0.00 H new ATOM 448 N THR A 29 -2.835 7.369 -11.375 1.00 0.00 N ATOM 449 CA THR A 29 -2.830 6.976 -9.977 1.00 0.00 C ATOM 450 C THR A 29 -3.889 5.914 -9.707 1.00 0.00 C ATOM 451 O THR A 29 -5.076 6.127 -9.947 1.00 0.00 O ATOM 452 CB THR A 29 -3.070 8.195 -9.066 1.00 0.00 C ATOM 453 OG1 THR A 29 -2.125 9.225 -9.395 1.00 0.00 O ATOM 454 CG2 THR A 29 -2.929 7.823 -7.597 1.00 0.00 C ATOM 0 H THR A 29 -3.740 7.687 -11.722 1.00 0.00 H new ATOM 0 HA THR A 29 -1.849 6.557 -9.754 1.00 0.00 H new ATOM 0 HB THR A 29 -4.087 8.552 -9.228 1.00 0.00 H new ATOM 0 HG1 THR A 29 -1.329 9.131 -8.831 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.104 8.704 -6.980 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.658 7.053 -7.345 1.00 0.00 H new ATOM 0 HG23 THR A 29 -1.924 7.445 -7.412 1.00 0.00 H new ATOM 462 N ALA A 30 -3.445 4.769 -9.214 1.00 0.00 N ATOM 463 CA ALA A 30 -4.345 3.677 -8.886 1.00 0.00 C ATOM 464 C ALA A 30 -4.697 3.706 -7.406 1.00 0.00 C ATOM 465 O ALA A 30 -3.811 3.745 -6.550 1.00 0.00 O ATOM 466 CB ALA A 30 -3.718 2.339 -9.253 1.00 0.00 C ATOM 0 H ALA A 30 -2.461 4.572 -9.032 1.00 0.00 H new ATOM 0 HA ALA A 30 -5.260 3.801 -9.465 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -4.407 1.533 -9.000 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -3.510 2.316 -10.323 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -2.788 2.209 -8.699 1.00 0.00 H new ATOM 472 N GLU A 31 -5.985 3.699 -7.107 1.00 0.00 N ATOM 473 CA GLU A 31 -6.437 3.697 -5.727 1.00 0.00 C ATOM 474 C GLU A 31 -6.571 2.270 -5.208 1.00 0.00 C ATOM 475 O GLU A 31 -7.538 1.570 -5.518 1.00 0.00 O ATOM 476 CB GLU A 31 -7.773 4.424 -5.592 1.00 0.00 C ATOM 477 CG GLU A 31 -8.297 4.459 -4.165 1.00 0.00 C ATOM 478 CD GLU A 31 -9.700 5.014 -4.069 1.00 0.00 C ATOM 479 OE1 GLU A 31 -10.657 4.249 -4.307 1.00 0.00 O ATOM 480 OE2 GLU A 31 -9.848 6.205 -3.731 1.00 0.00 O ATOM 0 H GLU A 31 -6.734 3.695 -7.799 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.691 4.222 -5.130 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -7.661 5.445 -5.956 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -8.510 3.937 -6.231 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -8.281 3.450 -3.752 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -7.629 5.064 -3.552 1.00 0.00 H new ATOM 487 N ILE A 32 -5.592 1.841 -4.430 1.00 0.00 N ATOM 488 CA ILE A 32 -5.632 0.527 -3.814 1.00 0.00 C ATOM 489 C ILE A 32 -6.451 0.597 -2.533 1.00 0.00 C ATOM 490 O ILE A 32 -5.958 1.040 -1.495 1.00 0.00 O ATOM 491 CB ILE A 32 -4.216 0.012 -3.475 1.00 0.00 C ATOM 492 CG1 ILE A 32 -3.276 0.200 -4.669 1.00 0.00 C ATOM 493 CG2 ILE A 32 -4.274 -1.456 -3.066 1.00 0.00 C ATOM 494 CD1 ILE A 32 -1.846 -0.215 -4.394 1.00 0.00 C ATOM 0 H ILE A 32 -4.758 2.385 -4.210 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.086 -0.163 -4.525 1.00 0.00 H new ATOM 0 HB ILE A 32 -3.826 0.591 -2.638 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -3.656 -0.377 -5.512 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -3.289 1.248 -4.968 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -3.270 -1.808 -2.829 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -4.912 -1.564 -2.189 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -4.681 -2.047 -3.887 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.242 -0.052 -5.287 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.446 0.379 -3.572 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -1.819 -1.271 -4.125 1.00 0.00 H new ATOM 506 N ARG A 33 -7.705 0.191 -2.611 1.00 0.00 N ATOM 507 CA ARG A 33 -8.577 0.223 -1.449 1.00 0.00 C ATOM 508 C ARG A 33 -8.349 -1.022 -0.605 1.00 0.00 C ATOM 509 O ARG A 33 -8.516 -2.147 -1.080 1.00 0.00 O ATOM 510 CB ARG A 33 -10.042 0.345 -1.875 1.00 0.00 C ATOM 511 CG ARG A 33 -10.992 0.667 -0.730 1.00 0.00 C ATOM 512 CD ARG A 33 -12.330 1.172 -1.247 1.00 0.00 C ATOM 513 NE ARG A 33 -12.176 2.386 -2.056 1.00 0.00 N ATOM 514 CZ ARG A 33 -12.874 3.506 -1.866 1.00 0.00 C ATOM 515 NH1 ARG A 33 -13.780 3.579 -0.902 1.00 0.00 N ATOM 516 NH2 ARG A 33 -12.656 4.559 -2.640 1.00 0.00 N ATOM 0 H ARG A 33 -8.142 -0.163 -3.462 1.00 0.00 H new ATOM 0 HA ARG A 33 -8.338 1.099 -0.846 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -10.126 1.123 -2.634 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -10.354 -0.590 -2.341 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -11.148 -0.224 -0.122 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -10.542 1.420 -0.082 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -12.806 0.395 -1.844 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -12.991 1.377 -0.405 1.00 0.00 H new ATOM 0 HE ARG A 33 -11.491 2.372 -2.812 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -13.948 2.774 -0.298 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -14.309 4.440 -0.764 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -11.955 4.512 -3.380 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -13.189 5.417 -2.496 1.00 0.00 H new ATOM 530 N CYS A 34 -7.948 -0.810 0.639 1.00 0.00 N ATOM 531 CA CYS A 34 -7.540 -1.901 1.508 1.00 0.00 C ATOM 532 C CYS A 34 -8.454 -2.001 2.722 1.00 0.00 C ATOM 533 O CYS A 34 -8.777 -0.992 3.352 1.00 0.00 O ATOM 534 CB CYS A 34 -6.097 -1.680 1.962 1.00 0.00 C ATOM 535 SG CYS A 34 -4.946 -1.325 0.612 1.00 0.00 S ATOM 0 H CYS A 34 -7.897 0.113 1.070 1.00 0.00 H new ATOM 0 HA CYS A 34 -7.611 -2.834 0.950 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -6.073 -0.854 2.673 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -5.754 -2.568 2.494 1.00 0.00 H new ATOM 0 HG CYS A 34 -5.441 -0.393 -0.147 1.00 0.00 H new ATOM 541 N GLN A 35 -8.872 -3.219 3.042 1.00 0.00 N ATOM 542 CA GLN A 35 -9.713 -3.456 4.204 1.00 0.00 C ATOM 543 C GLN A 35 -9.056 -4.456 5.142 1.00 0.00 C ATOM 544 O GLN A 35 -8.750 -5.586 4.752 1.00 0.00 O ATOM 545 CB GLN A 35 -11.093 -3.968 3.785 1.00 0.00 C ATOM 546 CG GLN A 35 -11.911 -2.955 3.002 1.00 0.00 C ATOM 547 CD GLN A 35 -12.225 -1.700 3.797 1.00 0.00 C ATOM 548 OE1 GLN A 35 -12.351 -0.614 3.234 1.00 0.00 O ATOM 549 NE2 GLN A 35 -12.381 -1.841 5.104 1.00 0.00 N ATOM 0 H GLN A 35 -8.641 -4.058 2.511 1.00 0.00 H new ATOM 0 HA GLN A 35 -9.838 -2.507 4.726 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -10.969 -4.866 3.180 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -11.649 -4.259 4.677 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -11.368 -2.679 2.098 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -12.844 -3.419 2.683 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -12.268 -2.759 5.535 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -12.614 -1.032 5.680 1.00 0.00 H new ATOM 558 N LEU A 36 -8.831 -4.033 6.369 1.00 0.00 N ATOM 559 CA LEU A 36 -8.244 -4.905 7.376 1.00 0.00 C ATOM 560 C LEU A 36 -9.310 -5.789 8.000 1.00 0.00 C ATOM 561 O LEU A 36 -10.420 -5.332 8.289 1.00 0.00 O ATOM 562 CB LEU A 36 -7.559 -4.096 8.478 1.00 0.00 C ATOM 563 CG LEU A 36 -7.121 -4.927 9.690 1.00 0.00 C ATOM 564 CD1 LEU A 36 -5.635 -5.237 9.654 1.00 0.00 C ATOM 565 CD2 LEU A 36 -7.495 -4.229 10.983 1.00 0.00 C ATOM 0 H LEU A 36 -9.044 -3.091 6.697 1.00 0.00 H new ATOM 0 HA LEU A 36 -7.499 -5.524 6.877 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.685 -3.599 8.058 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -8.239 -3.314 8.815 1.00 0.00 H new ATOM 0 HG LEU A 36 -7.653 -5.877 9.644 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -5.365 -5.827 10.530 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -5.403 -5.801 8.751 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.069 -4.306 9.656 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -7.175 -4.836 11.830 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -7.004 -3.257 11.027 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -8.576 -4.092 11.023 1.00 0.00 H new ATOM 577 N HIS A 37 -8.965 -7.048 8.208 1.00 0.00 N ATOM 578 CA HIS A 37 -9.846 -7.979 8.891 1.00 0.00 C ATOM 579 C HIS A 37 -9.563 -7.955 10.394 1.00 0.00 C ATOM 580 O HIS A 37 -8.575 -8.520 10.861 1.00 0.00 O ATOM 581 CB HIS A 37 -9.670 -9.393 8.320 1.00 0.00 C ATOM 582 CG HIS A 37 -10.530 -10.425 8.983 1.00 0.00 C ATOM 583 ND1 HIS A 37 -11.869 -10.576 8.716 1.00 0.00 N ATOM 584 CD2 HIS A 37 -10.230 -11.352 9.919 1.00 0.00 C ATOM 585 CE1 HIS A 37 -12.357 -11.550 9.459 1.00 0.00 C ATOM 586 NE2 HIS A 37 -11.383 -12.039 10.204 1.00 0.00 N ATOM 0 H HIS A 37 -8.076 -7.450 7.912 1.00 0.00 H new ATOM 0 HA HIS A 37 -10.881 -7.677 8.731 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -9.897 -9.375 7.254 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -8.625 -9.687 8.418 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -9.260 -11.521 10.362 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -13.382 -11.891 9.458 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -11.473 -12.799 10.878 1.00 0.00 H new ATOM 595 N ARG A 38 -10.431 -7.287 11.140 1.00 0.00 N ATOM 596 CA ARG A 38 -10.264 -7.135 12.582 1.00 0.00 C ATOM 597 C ARG A 38 -11.446 -7.751 13.325 1.00 0.00 C ATOM 598 O ARG A 38 -12.552 -7.207 13.308 1.00 0.00 O ATOM 599 CB ARG A 38 -10.127 -5.647 12.949 1.00 0.00 C ATOM 600 CG ARG A 38 -10.054 -5.371 14.449 1.00 0.00 C ATOM 601 CD ARG A 38 -8.732 -5.813 15.063 1.00 0.00 C ATOM 602 NE ARG A 38 -7.624 -4.925 14.709 1.00 0.00 N ATOM 603 CZ ARG A 38 -6.346 -5.147 15.043 1.00 0.00 C ATOM 604 NH1 ARG A 38 -6.010 -6.189 15.794 1.00 0.00 N ATOM 605 NH2 ARG A 38 -5.411 -4.301 14.654 1.00 0.00 N ATOM 0 H ARG A 38 -11.267 -6.837 10.768 1.00 0.00 H new ATOM 0 HA ARG A 38 -9.355 -7.657 12.880 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -9.230 -5.250 12.475 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -10.975 -5.103 12.533 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -10.194 -4.304 14.625 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -10.873 -5.887 14.950 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -8.833 -5.848 16.148 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -8.502 -6.826 14.731 1.00 0.00 H new ATOM 0 HE ARG A 38 -7.839 -4.084 14.174 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -6.729 -6.833 16.124 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -5.033 -6.346 16.041 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -5.663 -3.482 14.101 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -4.437 -4.466 14.906 1.00 0.00 H new ATOM 619 N ASP A 39 -11.215 -8.898 13.951 1.00 0.00 N ATOM 620 CA ASP A 39 -12.240 -9.540 14.770 1.00 0.00 C ATOM 621 C ASP A 39 -12.112 -9.082 16.214 1.00 0.00 C ATOM 622 O ASP A 39 -13.016 -8.448 16.758 1.00 0.00 O ATOM 623 CB ASP A 39 -12.136 -11.065 14.703 1.00 0.00 C ATOM 624 CG ASP A 39 -12.382 -11.610 13.314 1.00 0.00 C ATOM 625 OD1 ASP A 39 -13.482 -11.389 12.770 1.00 0.00 O ATOM 626 OD2 ASP A 39 -11.477 -12.265 12.764 1.00 0.00 O ATOM 0 H ASP A 39 -10.330 -9.403 13.909 1.00 0.00 H new ATOM 0 HA ASP A 39 -13.214 -9.248 14.376 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -11.145 -11.372 15.038 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -12.856 -11.504 15.393 1.00 0.00 H new ATOM 631 N GLY A 40 -10.985 -9.412 16.835 1.00 0.00 N ATOM 632 CA GLY A 40 -10.714 -8.943 18.179 1.00 0.00 C ATOM 633 C GLY A 40 -10.494 -7.448 18.201 1.00 0.00 C ATOM 634 O GLY A 40 -9.437 -6.965 17.789 1.00 0.00 O ATOM 0 H GLY A 40 -10.254 -9.997 16.430 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -11.548 -9.200 18.832 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.833 -9.449 18.573 1.00 0.00 H new ATOM 638 N ARG A 41 -11.498 -6.713 18.659 1.00 0.00 N ATOM 639 CA ARG A 41 -11.454 -5.259 18.637 1.00 0.00 C ATOM 640 C ARG A 41 -10.529 -4.722 19.726 1.00 0.00 C ATOM 641 O ARG A 41 -10.591 -5.148 20.880 1.00 0.00 O ATOM 642 CB ARG A 41 -12.863 -4.672 18.798 1.00 0.00 C ATOM 643 CG ARG A 41 -13.516 -4.990 20.133 1.00 0.00 C ATOM 644 CD ARG A 41 -14.868 -4.315 20.274 1.00 0.00 C ATOM 645 NE ARG A 41 -15.402 -4.457 21.626 1.00 0.00 N ATOM 646 CZ ARG A 41 -16.509 -3.861 22.056 1.00 0.00 C ATOM 647 NH1 ARG A 41 -17.239 -3.132 21.225 1.00 0.00 N ATOM 648 NH2 ARG A 41 -16.889 -3.992 23.321 1.00 0.00 N ATOM 0 H ARG A 41 -12.355 -7.102 19.051 1.00 0.00 H new ATOM 0 HA ARG A 41 -11.057 -4.951 17.670 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -12.810 -3.590 18.680 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -13.497 -5.050 17.996 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -13.636 -6.069 20.231 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -12.862 -4.667 20.943 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -14.774 -3.257 20.029 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -15.568 -4.748 19.559 1.00 0.00 H new ATOM 0 HE ARG A 41 -14.893 -5.051 22.281 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -16.952 -3.027 20.252 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -18.088 -2.676 21.558 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -16.331 -4.551 23.966 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -17.739 -3.533 23.648 1.00 0.00 H new ATOM 662 N PHE A 42 -9.661 -3.799 19.338 1.00 0.00 N ATOM 663 CA PHE A 42 -8.752 -3.142 20.272 1.00 0.00 C ATOM 664 C PHE A 42 -8.556 -1.691 19.861 1.00 0.00 C ATOM 665 O PHE A 42 -8.761 -0.777 20.657 1.00 0.00 O ATOM 666 CB PHE A 42 -7.389 -3.846 20.312 1.00 0.00 C ATOM 667 CG PHE A 42 -7.421 -5.234 20.892 1.00 0.00 C ATOM 668 CD1 PHE A 42 -7.569 -5.425 22.257 1.00 0.00 C ATOM 669 CD2 PHE A 42 -7.300 -6.346 20.073 1.00 0.00 C ATOM 670 CE1 PHE A 42 -7.597 -6.698 22.794 1.00 0.00 C ATOM 671 CE2 PHE A 42 -7.328 -7.622 20.605 1.00 0.00 C ATOM 672 CZ PHE A 42 -7.476 -7.799 21.968 1.00 0.00 C ATOM 0 H PHE A 42 -9.565 -3.484 18.373 1.00 0.00 H new ATOM 0 HA PHE A 42 -9.195 -3.193 21.266 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -6.991 -3.898 19.298 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -6.697 -3.238 20.895 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -7.664 -4.569 22.908 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -7.183 -6.214 19.008 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -7.713 -6.832 23.859 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -7.234 -8.480 19.956 1.00 0.00 H new ATOM 0 HZ PHE A 42 -7.497 -8.795 22.386 1.00 0.00 H new ATOM 682 N GLU A 43 -8.132 -1.509 18.607 1.00 0.00 N ATOM 683 CA GLU A 43 -7.924 -0.190 17.996 1.00 0.00 C ATOM 684 C GLU A 43 -6.671 0.499 18.540 1.00 0.00 C ATOM 685 O GLU A 43 -5.996 1.224 17.810 1.00 0.00 O ATOM 686 CB GLU A 43 -9.153 0.711 18.155 1.00 0.00 C ATOM 687 CG GLU A 43 -9.058 1.991 17.344 1.00 0.00 C ATOM 688 CD GLU A 43 -10.351 2.768 17.330 1.00 0.00 C ATOM 689 OE1 GLU A 43 -11.236 2.442 16.515 1.00 0.00 O ATOM 690 OE2 GLU A 43 -10.487 3.720 18.127 1.00 0.00 O ATOM 0 H GLU A 43 -7.920 -2.283 17.978 1.00 0.00 H new ATOM 0 HA GLU A 43 -7.772 -0.361 16.930 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -10.043 0.160 17.851 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -9.278 0.963 19.208 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -8.266 2.618 17.754 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -8.774 1.748 16.320 1.00 0.00 H new ATOM 697 N GLU A 44 -6.362 0.282 19.817 1.00 0.00 N ATOM 698 CA GLU A 44 -5.104 0.752 20.389 1.00 0.00 C ATOM 699 C GLU A 44 -3.942 0.074 19.681 1.00 0.00 C ATOM 700 O GLU A 44 -2.836 0.608 19.608 1.00 0.00 O ATOM 701 CB GLU A 44 -5.042 0.473 21.893 1.00 0.00 C ATOM 702 CG GLU A 44 -5.294 -0.981 22.258 1.00 0.00 C ATOM 703 CD GLU A 44 -4.917 -1.294 23.688 1.00 0.00 C ATOM 704 OE1 GLU A 44 -5.558 -0.758 24.613 1.00 0.00 O ATOM 705 OE2 GLU A 44 -3.979 -2.088 23.898 1.00 0.00 O ATOM 0 H GLU A 44 -6.964 -0.215 20.473 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.039 1.831 20.247 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.062 0.767 22.268 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.778 1.098 22.400 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.348 -1.213 22.105 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.725 -1.624 21.587 1.00 0.00 H new ATOM 712 N THR A 45 -4.225 -1.119 19.177 1.00 0.00 N ATOM 713 CA THR A 45 -3.310 -1.853 18.326 1.00 0.00 C ATOM 714 C THR A 45 -3.050 -1.052 17.052 1.00 0.00 C ATOM 715 O THR A 45 -3.960 -0.833 16.249 1.00 0.00 O ATOM 716 CB THR A 45 -3.914 -3.226 17.976 1.00 0.00 C ATOM 717 OG1 THR A 45 -4.369 -3.866 19.177 1.00 0.00 O ATOM 718 CG2 THR A 45 -2.901 -4.118 17.284 1.00 0.00 C ATOM 0 H THR A 45 -5.105 -1.605 19.351 1.00 0.00 H new ATOM 0 HA THR A 45 -2.367 -2.007 18.850 1.00 0.00 H new ATOM 0 HB THR A 45 -4.748 -3.066 17.293 1.00 0.00 H new ATOM 0 HG1 THR A 45 -4.755 -4.739 18.956 1.00 0.00 H new ATOM 0 HG21 THR A 45 -3.361 -5.079 17.051 1.00 0.00 H new ATOM 0 HG22 THR A 45 -2.568 -3.643 16.362 1.00 0.00 H new ATOM 0 HG23 THR A 45 -2.046 -4.275 17.941 1.00 0.00 H new ATOM 726 N LYS A 46 -1.818 -0.602 16.883 1.00 0.00 N ATOM 727 CA LYS A 46 -1.499 0.355 15.839 1.00 0.00 C ATOM 728 C LYS A 46 -0.961 -0.327 14.591 1.00 0.00 C ATOM 729 O LYS A 46 -0.209 -1.299 14.664 1.00 0.00 O ATOM 730 CB LYS A 46 -0.510 1.395 16.364 1.00 0.00 C ATOM 731 CG LYS A 46 -1.114 2.299 17.427 1.00 0.00 C ATOM 732 CD LYS A 46 -0.095 3.277 17.981 1.00 0.00 C ATOM 733 CE LYS A 46 -0.724 4.214 19.004 1.00 0.00 C ATOM 734 NZ LYS A 46 -1.335 3.476 20.144 1.00 0.00 N ATOM 0 H LYS A 46 -1.023 -0.885 17.456 1.00 0.00 H new ATOM 0 HA LYS A 46 -2.422 0.860 15.553 1.00 0.00 H new ATOM 0 HB2 LYS A 46 0.360 0.886 16.778 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.156 2.005 15.533 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -1.953 2.850 17.002 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -1.512 1.690 18.239 1.00 0.00 H new ATOM 0 HD2 LYS A 46 0.725 2.728 18.444 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.333 3.860 17.166 1.00 0.00 H new ATOM 0 HE2 LYS A 46 0.035 4.898 19.382 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.486 4.822 18.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.552 4.142 20.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -2.212 3.014 19.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -0.669 2.755 20.488 1.00 0.00 H new ATOM 748 N TYR A 47 -1.359 0.206 13.446 1.00 0.00 N ATOM 749 CA TYR A 47 -0.993 -0.352 12.157 1.00 0.00 C ATOM 750 C TYR A 47 0.182 0.410 11.567 1.00 0.00 C ATOM 751 O TYR A 47 0.147 1.638 11.472 1.00 0.00 O ATOM 752 CB TYR A 47 -2.181 -0.270 11.200 1.00 0.00 C ATOM 753 CG TYR A 47 -3.477 -0.739 11.807 1.00 0.00 C ATOM 754 CD1 TYR A 47 -3.794 -2.085 11.837 1.00 0.00 C ATOM 755 CD2 TYR A 47 -4.378 0.164 12.367 1.00 0.00 C ATOM 756 CE1 TYR A 47 -4.967 -2.523 12.403 1.00 0.00 C ATOM 757 CE2 TYR A 47 -5.560 -0.269 12.935 1.00 0.00 C ATOM 758 CZ TYR A 47 -5.849 -1.616 12.952 1.00 0.00 C ATOM 759 OH TYR A 47 -7.016 -2.068 13.531 1.00 0.00 O ATOM 0 H TYR A 47 -1.945 1.038 13.386 1.00 0.00 H new ATOM 0 HA TYR A 47 -0.708 -1.395 12.298 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.298 0.761 10.866 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -1.966 -0.869 10.315 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -3.109 -2.802 11.409 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -4.149 1.219 12.357 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -5.198 -3.578 12.418 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -6.252 0.442 13.362 1.00 0.00 H new ATOM 0 HH TYR A 47 -7.764 -1.503 13.245 1.00 0.00 H new ATOM 769 N PHE A 48 1.214 -0.309 11.170 1.00 0.00 N ATOM 770 CA PHE A 48 2.383 0.311 10.569 1.00 0.00 C ATOM 771 C PHE A 48 2.601 -0.211 9.158 1.00 0.00 C ATOM 772 O PHE A 48 2.721 -1.417 8.940 1.00 0.00 O ATOM 773 CB PHE A 48 3.623 0.062 11.427 1.00 0.00 C ATOM 774 CG PHE A 48 3.540 0.701 12.783 1.00 0.00 C ATOM 775 CD1 PHE A 48 3.835 2.044 12.949 1.00 0.00 C ATOM 776 CD2 PHE A 48 3.158 -0.040 13.891 1.00 0.00 C ATOM 777 CE1 PHE A 48 3.751 2.637 14.194 1.00 0.00 C ATOM 778 CE2 PHE A 48 3.072 0.547 15.139 1.00 0.00 C ATOM 779 CZ PHE A 48 3.369 1.887 15.290 1.00 0.00 C ATOM 0 H PHE A 48 1.268 -1.324 11.252 1.00 0.00 H new ATOM 0 HA PHE A 48 2.210 1.386 10.515 1.00 0.00 H new ATOM 0 HB2 PHE A 48 3.765 -1.012 11.546 1.00 0.00 H new ATOM 0 HB3 PHE A 48 4.501 0.444 10.905 1.00 0.00 H new ATOM 0 HD1 PHE A 48 4.134 2.634 12.096 1.00 0.00 H new ATOM 0 HD2 PHE A 48 2.925 -1.088 13.777 1.00 0.00 H new ATOM 0 HE1 PHE A 48 3.984 3.685 14.311 1.00 0.00 H new ATOM 0 HE2 PHE A 48 2.773 -0.041 15.994 1.00 0.00 H new ATOM 0 HZ PHE A 48 3.303 2.349 16.264 1.00 0.00 H new ATOM 789 N ILE A 49 2.641 0.702 8.206 1.00 0.00 N ATOM 790 CA ILE A 49 2.839 0.347 6.814 1.00 0.00 C ATOM 791 C ILE A 49 4.219 0.791 6.336 1.00 0.00 C ATOM 792 O ILE A 49 4.711 1.861 6.711 1.00 0.00 O ATOM 793 CB ILE A 49 1.752 0.971 5.905 1.00 0.00 C ATOM 794 CG1 ILE A 49 1.935 0.512 4.454 1.00 0.00 C ATOM 795 CG2 ILE A 49 1.785 2.492 5.991 1.00 0.00 C ATOM 796 CD1 ILE A 49 0.912 1.087 3.496 1.00 0.00 C ATOM 0 H ILE A 49 2.538 1.703 8.374 1.00 0.00 H new ATOM 0 HA ILE A 49 2.763 -0.738 6.745 1.00 0.00 H new ATOM 0 HB ILE A 49 0.778 0.629 6.255 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.933 0.793 4.117 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.881 -0.576 4.418 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.013 2.910 5.345 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.604 2.802 7.020 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.762 2.853 5.670 1.00 0.00 H new ATOM 0 HD11 ILE A 49 1.107 0.716 2.490 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.088 0.784 3.807 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.980 2.175 3.501 1.00 0.00 H new ATOM 808 N ARG A 50 4.852 -0.055 5.543 1.00 0.00 N ATOM 809 CA ARG A 50 6.107 0.281 4.896 1.00 0.00 C ATOM 810 C ARG A 50 6.258 -0.548 3.632 1.00 0.00 C ATOM 811 O ARG A 50 5.992 -1.747 3.640 1.00 0.00 O ATOM 812 CB ARG A 50 7.288 0.017 5.836 1.00 0.00 C ATOM 813 CG ARG A 50 8.642 0.347 5.231 1.00 0.00 C ATOM 814 CD ARG A 50 9.780 -0.067 6.150 1.00 0.00 C ATOM 815 NE ARG A 50 9.790 -1.509 6.394 1.00 0.00 N ATOM 816 CZ ARG A 50 10.816 -2.303 6.101 1.00 0.00 C ATOM 817 NH1 ARG A 50 11.903 -1.803 5.523 1.00 0.00 N ATOM 818 NH2 ARG A 50 10.750 -3.597 6.384 1.00 0.00 N ATOM 0 H ARG A 50 4.511 -0.992 5.330 1.00 0.00 H new ATOM 0 HA ARG A 50 6.101 1.341 4.642 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.154 0.604 6.745 1.00 0.00 H new ATOM 0 HB3 ARG A 50 7.278 -1.033 6.130 1.00 0.00 H new ATOM 0 HG2 ARG A 50 8.746 -0.159 4.271 1.00 0.00 H new ATOM 0 HG3 ARG A 50 8.703 1.417 5.035 1.00 0.00 H new ATOM 0 HD2 ARG A 50 10.730 0.233 5.708 1.00 0.00 H new ATOM 0 HD3 ARG A 50 9.690 0.461 7.099 1.00 0.00 H new ATOM 0 HE ARG A 50 8.961 -1.931 6.814 1.00 0.00 H new ATOM 0 HH11 ARG A 50 11.952 -0.808 5.303 1.00 0.00 H new ATOM 0 HH12 ARG A 50 12.689 -2.414 5.299 1.00 0.00 H new ATOM 0 HH21 ARG A 50 9.914 -3.981 6.825 1.00 0.00 H new ATOM 0 HH22 ARG A 50 11.535 -4.209 6.161 1.00 0.00 H new ATOM 832 N TYR A 51 6.661 0.084 2.545 1.00 0.00 N ATOM 833 CA TYR A 51 6.897 -0.645 1.314 1.00 0.00 C ATOM 834 C TYR A 51 8.388 -0.723 1.035 1.00 0.00 C ATOM 835 O TYR A 51 9.152 0.151 1.445 1.00 0.00 O ATOM 836 CB TYR A 51 6.149 -0.016 0.124 1.00 0.00 C ATOM 837 CG TYR A 51 6.661 1.338 -0.329 1.00 0.00 C ATOM 838 CD1 TYR A 51 6.160 2.511 0.217 1.00 0.00 C ATOM 839 CD2 TYR A 51 7.625 1.440 -1.326 1.00 0.00 C ATOM 840 CE1 TYR A 51 6.608 3.745 -0.211 1.00 0.00 C ATOM 841 CE2 TYR A 51 8.074 2.674 -1.763 1.00 0.00 C ATOM 842 CZ TYR A 51 7.564 3.824 -1.200 1.00 0.00 C ATOM 843 OH TYR A 51 7.999 5.059 -1.635 1.00 0.00 O ATOM 0 H TYR A 51 6.830 1.088 2.489 1.00 0.00 H new ATOM 0 HA TYR A 51 6.506 -1.655 1.440 1.00 0.00 H new ATOM 0 HB2 TYR A 51 6.200 -0.705 -0.719 1.00 0.00 H new ATOM 0 HB3 TYR A 51 5.097 0.084 0.391 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.407 2.458 0.990 1.00 0.00 H new ATOM 0 HD2 TYR A 51 8.030 0.541 -1.767 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.209 4.647 0.229 1.00 0.00 H new ATOM 0 HE2 TYR A 51 8.820 2.736 -2.541 1.00 0.00 H new ATOM 0 HH TYR A 51 7.805 5.734 -0.951 1.00 0.00 H new ATOM 853 N PHE A 52 8.791 -1.786 0.369 1.00 0.00 N ATOM 854 CA PHE A 52 10.169 -1.967 -0.033 1.00 0.00 C ATOM 855 C PHE A 52 10.271 -1.705 -1.524 1.00 0.00 C ATOM 856 O PHE A 52 9.456 -2.206 -2.300 1.00 0.00 O ATOM 857 CB PHE A 52 10.632 -3.387 0.301 1.00 0.00 C ATOM 858 CG PHE A 52 12.089 -3.632 0.033 1.00 0.00 C ATOM 859 CD1 PHE A 52 13.059 -2.997 0.791 1.00 0.00 C ATOM 860 CD2 PHE A 52 12.488 -4.494 -0.973 1.00 0.00 C ATOM 861 CE1 PHE A 52 14.401 -3.220 0.550 1.00 0.00 C ATOM 862 CE2 PHE A 52 13.828 -4.721 -1.218 1.00 0.00 C ATOM 863 CZ PHE A 52 14.786 -4.083 -0.457 1.00 0.00 C ATOM 0 H PHE A 52 8.172 -2.548 0.092 1.00 0.00 H new ATOM 0 HA PHE A 52 10.813 -1.271 0.505 1.00 0.00 H new ATOM 0 HB2 PHE A 52 10.428 -3.587 1.353 1.00 0.00 H new ATOM 0 HB3 PHE A 52 10.042 -4.097 -0.279 1.00 0.00 H new ATOM 0 HD1 PHE A 52 12.763 -2.320 1.579 1.00 0.00 H new ATOM 0 HD2 PHE A 52 11.743 -4.995 -1.573 1.00 0.00 H new ATOM 0 HE1 PHE A 52 15.148 -2.720 1.148 1.00 0.00 H new ATOM 0 HE2 PHE A 52 14.126 -5.398 -2.005 1.00 0.00 H new ATOM 0 HZ PHE A 52 15.834 -4.258 -0.648 1.00 0.00 H new ATOM 873 N GLN A 53 11.253 -0.909 -1.920 1.00 0.00 N ATOM 874 CA GLN A 53 11.388 -0.515 -3.314 1.00 0.00 C ATOM 875 C GLN A 53 12.711 -1.017 -3.891 1.00 0.00 C ATOM 876 O GLN A 53 13.708 -0.294 -3.897 1.00 0.00 O ATOM 877 CB GLN A 53 11.306 1.013 -3.437 1.00 0.00 C ATOM 878 CG GLN A 53 10.989 1.508 -4.839 1.00 0.00 C ATOM 879 CD GLN A 53 9.550 1.244 -5.245 1.00 0.00 C ATOM 880 OE1 GLN A 53 8.937 0.267 -4.823 1.00 0.00 O ATOM 881 NE2 GLN A 53 8.992 2.133 -6.050 1.00 0.00 N ATOM 0 H GLN A 53 11.965 -0.525 -1.299 1.00 0.00 H new ATOM 0 HA GLN A 53 10.573 -0.964 -3.881 1.00 0.00 H new ATOM 0 HB2 GLN A 53 10.542 1.381 -2.752 1.00 0.00 H new ATOM 0 HB3 GLN A 53 12.255 1.444 -3.117 1.00 0.00 H new ATOM 0 HG2 GLN A 53 11.187 2.578 -4.895 1.00 0.00 H new ATOM 0 HG3 GLN A 53 11.657 1.023 -5.550 1.00 0.00 H new ATOM 0 HE21 GLN A 53 9.533 2.932 -6.380 1.00 0.00 H new ATOM 0 HE22 GLN A 53 8.021 2.019 -6.340 1.00 0.00 H new ATOM 890 N PRO A 54 12.755 -2.285 -4.333 1.00 0.00 N ATOM 891 CA PRO A 54 13.944 -2.859 -4.963 1.00 0.00 C ATOM 892 C PRO A 54 14.017 -2.527 -6.450 1.00 0.00 C ATOM 893 O PRO A 54 15.070 -2.646 -7.083 1.00 0.00 O ATOM 894 CB PRO A 54 13.737 -4.356 -4.761 1.00 0.00 C ATOM 895 CG PRO A 54 12.257 -4.540 -4.793 1.00 0.00 C ATOM 896 CD PRO A 54 11.652 -3.266 -4.253 1.00 0.00 C ATOM 0 HA PRO A 54 14.872 -2.476 -4.539 1.00 0.00 H new ATOM 0 HB2 PRO A 54 14.225 -4.933 -5.546 1.00 0.00 H new ATOM 0 HB3 PRO A 54 14.157 -4.690 -3.812 1.00 0.00 H new ATOM 0 HG2 PRO A 54 11.912 -4.732 -5.809 1.00 0.00 H new ATOM 0 HG3 PRO A 54 11.960 -5.397 -4.188 1.00 0.00 H new ATOM 0 HD2 PRO A 54 10.793 -2.950 -4.845 1.00 0.00 H new ATOM 0 HD3 PRO A 54 11.304 -3.393 -3.228 1.00 0.00 H new ATOM 904 N ASP A 55 12.890 -2.095 -6.988 1.00 0.00 N ATOM 905 CA ASP A 55 12.736 -1.907 -8.418 1.00 0.00 C ATOM 906 C ASP A 55 12.443 -0.443 -8.734 1.00 0.00 C ATOM 907 O ASP A 55 12.031 0.320 -7.856 1.00 0.00 O ATOM 908 CB ASP A 55 11.606 -2.810 -8.919 1.00 0.00 C ATOM 909 CG ASP A 55 11.478 -2.824 -10.425 1.00 0.00 C ATOM 910 OD1 ASP A 55 12.521 -2.871 -11.112 1.00 0.00 O ATOM 911 OD2 ASP A 55 10.336 -2.818 -10.926 1.00 0.00 O ATOM 0 H ASP A 55 12.057 -1.865 -6.446 1.00 0.00 H new ATOM 0 HA ASP A 55 13.662 -2.177 -8.926 1.00 0.00 H new ATOM 0 HB2 ASP A 55 11.779 -3.827 -8.566 1.00 0.00 H new ATOM 0 HB3 ASP A 55 10.664 -2.477 -8.484 1.00 0.00 H new ATOM 916 N GLY A 56 12.670 -0.053 -9.982 1.00 0.00 N ATOM 917 CA GLY A 56 12.437 1.321 -10.389 1.00 0.00 C ATOM 918 C GLY A 56 10.981 1.581 -10.715 1.00 0.00 C ATOM 919 O GLY A 56 10.597 1.637 -11.885 1.00 0.00 O ATOM 0 H GLY A 56 13.012 -0.665 -10.722 1.00 0.00 H new ATOM 0 HA2 GLY A 56 12.755 1.993 -9.592 1.00 0.00 H new ATOM 0 HA3 GLY A 56 13.049 1.549 -11.261 1.00 0.00 H new ATOM 923 N ALA A 57 10.172 1.730 -9.676 1.00 0.00 N ATOM 924 CA ALA A 57 8.742 1.945 -9.840 1.00 0.00 C ATOM 925 C ALA A 57 8.367 3.398 -9.540 1.00 0.00 C ATOM 926 O ALA A 57 9.223 4.284 -9.574 1.00 0.00 O ATOM 927 CB ALA A 57 7.973 0.990 -8.946 1.00 0.00 C ATOM 0 H ALA A 57 10.484 1.706 -8.705 1.00 0.00 H new ATOM 0 HA ALA A 57 8.475 1.746 -10.878 1.00 0.00 H new ATOM 0 HB1 ALA A 57 6.903 1.155 -9.072 1.00 0.00 H new ATOM 0 HB2 ALA A 57 8.216 -0.037 -9.217 1.00 0.00 H new ATOM 0 HB3 ALA A 57 8.247 1.165 -7.906 1.00 0.00 H new ATOM 933 N GLY A 58 7.094 3.634 -9.236 1.00 0.00 N ATOM 934 CA GLY A 58 6.610 4.989 -9.049 1.00 0.00 C ATOM 935 C GLY A 58 6.452 5.379 -7.591 1.00 0.00 C ATOM 936 O GLY A 58 7.211 4.931 -6.730 1.00 0.00 O ATOM 0 H GLY A 58 6.388 2.908 -9.116 1.00 0.00 H new ATOM 0 HA2 GLY A 58 7.300 5.682 -9.530 1.00 0.00 H new ATOM 0 HA3 GLY A 58 5.649 5.096 -9.552 1.00 0.00 H new ATOM 940 N THR A 59 5.455 6.211 -7.320 1.00 0.00 N ATOM 941 CA THR A 59 5.242 6.760 -5.989 1.00 0.00 C ATOM 942 C THR A 59 4.058 6.084 -5.299 1.00 0.00 C ATOM 943 O THR A 59 3.046 5.798 -5.936 1.00 0.00 O ATOM 944 CB THR A 59 4.961 8.274 -6.071 1.00 0.00 C ATOM 945 OG1 THR A 59 5.864 8.892 -6.999 1.00 0.00 O ATOM 946 CG2 THR A 59 5.108 8.931 -4.707 1.00 0.00 C ATOM 0 H THR A 59 4.775 6.523 -8.013 1.00 0.00 H new ATOM 0 HA THR A 59 6.149 6.579 -5.412 1.00 0.00 H new ATOM 0 HB THR A 59 3.935 8.409 -6.413 1.00 0.00 H new ATOM 0 HG1 THR A 59 5.678 9.853 -7.046 1.00 0.00 H new ATOM 0 HG21 THR A 59 4.904 9.998 -4.793 1.00 0.00 H new ATOM 0 HG22 THR A 59 4.401 8.482 -4.009 1.00 0.00 H new ATOM 0 HG23 THR A 59 6.124 8.784 -4.340 1.00 0.00 H new ATOM 954 N LEU A 60 4.183 5.836 -4.001 1.00 0.00 N ATOM 955 CA LEU A 60 3.083 5.283 -3.225 1.00 0.00 C ATOM 956 C LEU A 60 2.652 6.271 -2.144 1.00 0.00 C ATOM 957 O LEU A 60 3.439 6.632 -1.264 1.00 0.00 O ATOM 958 CB LEU A 60 3.480 3.942 -2.596 1.00 0.00 C ATOM 959 CG LEU A 60 2.359 3.227 -1.831 1.00 0.00 C ATOM 960 CD1 LEU A 60 1.179 2.941 -2.748 1.00 0.00 C ATOM 961 CD2 LEU A 60 2.872 1.936 -1.211 1.00 0.00 C ATOM 0 H LEU A 60 5.034 6.009 -3.466 1.00 0.00 H new ATOM 0 HA LEU A 60 2.242 5.108 -3.896 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.840 3.281 -3.384 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.314 4.110 -1.915 1.00 0.00 H new ATOM 0 HG LEU A 60 2.022 3.885 -1.030 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.395 2.434 -2.185 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.791 3.879 -3.145 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.504 2.305 -3.572 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.062 1.444 -0.673 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.239 1.276 -1.997 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.683 2.162 -0.519 1.00 0.00 H new ATOM 973 N LYS A 61 1.410 6.720 -2.230 1.00 0.00 N ATOM 974 CA LYS A 61 0.880 7.694 -1.291 1.00 0.00 C ATOM 975 C LYS A 61 -0.222 7.074 -0.442 1.00 0.00 C ATOM 976 O LYS A 61 -0.901 6.140 -0.868 1.00 0.00 O ATOM 977 CB LYS A 61 0.322 8.905 -2.038 1.00 0.00 C ATOM 978 CG LYS A 61 1.289 9.517 -3.033 1.00 0.00 C ATOM 979 CD LYS A 61 0.643 10.665 -3.791 1.00 0.00 C ATOM 980 CE LYS A 61 1.545 11.178 -4.901 1.00 0.00 C ATOM 981 NZ LYS A 61 0.921 12.303 -5.645 1.00 0.00 N ATOM 0 H LYS A 61 0.747 6.423 -2.946 1.00 0.00 H new ATOM 0 HA LYS A 61 1.694 8.015 -0.641 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.585 8.608 -2.565 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.034 9.666 -1.312 1.00 0.00 H new ATOM 0 HG2 LYS A 61 2.175 9.876 -2.509 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.622 8.754 -3.737 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.305 10.334 -4.215 1.00 0.00 H new ATOM 0 HD3 LYS A 61 0.417 11.477 -3.100 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.494 11.505 -4.476 1.00 0.00 H new ATOM 0 HE3 LYS A 61 1.769 10.365 -5.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.567 12.625 -6.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.028 11.984 -6.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.731 13.089 -4.991 1.00 0.00 H new ATOM 995 N MET A 62 -0.393 7.600 0.755 1.00 0.00 N ATOM 996 CA MET A 62 -1.449 7.157 1.652 1.00 0.00 C ATOM 997 C MET A 62 -2.733 7.923 1.363 1.00 0.00 C ATOM 998 O MET A 62 -2.703 8.960 0.700 1.00 0.00 O ATOM 999 CB MET A 62 -1.022 7.390 3.106 1.00 0.00 C ATOM 1000 CG MET A 62 0.207 6.601 3.515 1.00 0.00 C ATOM 1001 SD MET A 62 1.034 7.299 4.956 1.00 0.00 S ATOM 1002 CE MET A 62 -0.261 7.213 6.186 1.00 0.00 C ATOM 0 H MET A 62 0.192 8.344 1.135 1.00 0.00 H new ATOM 0 HA MET A 62 -1.628 6.093 1.495 1.00 0.00 H new ATOM 0 HB2 MET A 62 -0.826 8.452 3.252 1.00 0.00 H new ATOM 0 HB3 MET A 62 -1.849 7.125 3.765 1.00 0.00 H new ATOM 0 HG2 MET A 62 -0.082 5.572 3.730 1.00 0.00 H new ATOM 0 HG3 MET A 62 0.907 6.568 2.680 1.00 0.00 H new ATOM 0 HE1 MET A 62 0.184 7.176 7.181 1.00 0.00 H new ATOM 0 HE2 MET A 62 -0.898 8.094 6.106 1.00 0.00 H new ATOM 0 HE3 MET A 62 -0.859 6.317 6.023 1.00 0.00 H new ATOM 1012 N SER A 63 -3.853 7.407 1.857 1.00 0.00 N ATOM 1013 CA SER A 63 -5.148 8.076 1.744 1.00 0.00 C ATOM 1014 C SER A 63 -5.075 9.506 2.282 1.00 0.00 C ATOM 1015 O SER A 63 -5.818 10.385 1.847 1.00 0.00 O ATOM 1016 CB SER A 63 -6.200 7.278 2.522 1.00 0.00 C ATOM 1017 OG SER A 63 -7.512 7.736 2.255 1.00 0.00 O ATOM 0 H SER A 63 -3.891 6.513 2.347 1.00 0.00 H new ATOM 0 HA SER A 63 -5.426 8.125 0.691 1.00 0.00 H new ATOM 0 HB2 SER A 63 -6.123 6.223 2.259 1.00 0.00 H new ATOM 0 HB3 SER A 63 -5.998 7.356 3.590 1.00 0.00 H new ATOM 0 HG SER A 63 -8.155 7.203 2.767 1.00 0.00 H new ATOM 1023 N ASP A 64 -4.168 9.722 3.226 1.00 0.00 N ATOM 1024 CA ASP A 64 -3.983 11.025 3.858 1.00 0.00 C ATOM 1025 C ASP A 64 -3.307 12.008 2.912 1.00 0.00 C ATOM 1026 O ASP A 64 -3.297 13.213 3.156 1.00 0.00 O ATOM 1027 CB ASP A 64 -3.117 10.873 5.112 1.00 0.00 C ATOM 1028 CG ASP A 64 -3.594 9.759 6.020 1.00 0.00 C ATOM 1029 OD1 ASP A 64 -3.388 8.579 5.667 1.00 0.00 O ATOM 1030 OD2 ASP A 64 -4.180 10.063 7.081 1.00 0.00 O ATOM 0 H ASP A 64 -3.539 9.000 3.576 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.968 11.411 4.121 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -2.086 10.678 4.815 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -3.118 11.812 5.665 1.00 0.00 H new ATOM 1035 N GLY A 65 -2.742 11.491 1.831 1.00 0.00 N ATOM 1036 CA GLY A 65 -1.935 12.313 0.952 1.00 0.00 C ATOM 1037 C GLY A 65 -0.486 12.309 1.386 1.00 0.00 C ATOM 1038 O GLY A 65 0.340 13.055 0.862 1.00 0.00 O ATOM 0 H GLY A 65 -2.828 10.515 1.546 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -2.013 11.944 -0.071 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.316 13.334 0.952 1.00 0.00 H new ATOM 1042 N THR A 66 -0.195 11.468 2.366 1.00 0.00 N ATOM 1043 CA THR A 66 1.149 11.312 2.890 1.00 0.00 C ATOM 1044 C THR A 66 1.973 10.396 1.989 1.00 0.00 C ATOM 1045 O THR A 66 1.519 9.318 1.609 1.00 0.00 O ATOM 1046 CB THR A 66 1.094 10.728 4.317 1.00 0.00 C ATOM 1047 OG1 THR A 66 0.287 11.569 5.153 1.00 0.00 O ATOM 1048 CG2 THR A 66 2.482 10.591 4.923 1.00 0.00 C ATOM 0 H THR A 66 -0.888 10.873 2.821 1.00 0.00 H new ATOM 0 HA THR A 66 1.624 12.293 2.920 1.00 0.00 H new ATOM 0 HB THR A 66 0.655 9.732 4.253 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.253 11.194 6.058 1.00 0.00 H new ATOM 0 HG21 THR A 66 2.401 10.176 5.928 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.085 9.927 4.304 1.00 0.00 H new ATOM 0 HG23 THR A 66 2.956 11.571 4.972 1.00 0.00 H new ATOM 1056 N VAL A 67 3.166 10.839 1.628 1.00 0.00 N ATOM 1057 CA VAL A 67 4.056 10.036 0.803 1.00 0.00 C ATOM 1058 C VAL A 67 4.863 9.080 1.676 1.00 0.00 C ATOM 1059 O VAL A 67 5.488 9.491 2.656 1.00 0.00 O ATOM 1060 CB VAL A 67 5.009 10.918 -0.034 1.00 0.00 C ATOM 1061 CG1 VAL A 67 5.968 10.064 -0.850 1.00 0.00 C ATOM 1062 CG2 VAL A 67 4.211 11.840 -0.944 1.00 0.00 C ATOM 0 H VAL A 67 3.541 11.750 1.893 1.00 0.00 H new ATOM 0 HA VAL A 67 3.438 9.462 0.112 1.00 0.00 H new ATOM 0 HB VAL A 67 5.600 11.526 0.651 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.627 10.710 -1.430 1.00 0.00 H new ATOM 0 HG12 VAL A 67 6.564 9.445 -0.180 1.00 0.00 H new ATOM 0 HG13 VAL A 67 5.400 9.424 -1.526 1.00 0.00 H new ATOM 0 HG21 VAL A 67 4.895 12.456 -1.528 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.595 11.243 -1.617 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.570 12.482 -0.340 1.00 0.00 H new ATOM 1072 N LEU A 68 4.828 7.805 1.324 1.00 0.00 N ATOM 1073 CA LEU A 68 5.490 6.774 2.107 1.00 0.00 C ATOM 1074 C LEU A 68 6.951 6.616 1.704 1.00 0.00 C ATOM 1075 O LEU A 68 7.300 6.722 0.527 1.00 0.00 O ATOM 1076 CB LEU A 68 4.744 5.450 1.942 1.00 0.00 C ATOM 1077 CG LEU A 68 3.386 5.392 2.636 1.00 0.00 C ATOM 1078 CD1 LEU A 68 2.539 4.253 2.092 1.00 0.00 C ATOM 1079 CD2 LEU A 68 3.579 5.228 4.131 1.00 0.00 C ATOM 0 H LEU A 68 4.345 7.458 0.496 1.00 0.00 H new ATOM 0 HA LEU A 68 5.472 7.074 3.155 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.602 5.259 0.878 1.00 0.00 H new ATOM 0 HB3 LEU A 68 5.369 4.646 2.329 1.00 0.00 H new ATOM 0 HG LEU A 68 2.861 6.327 2.438 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.578 4.237 2.606 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.377 4.398 1.024 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.054 3.306 2.256 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.606 5.187 4.621 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.124 4.305 4.328 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.146 6.074 4.520 1.00 0.00 H new ATOM 1091 N LEU A 69 7.800 6.366 2.691 1.00 0.00 N ATOM 1092 CA LEU A 69 9.224 6.181 2.451 1.00 0.00 C ATOM 1093 C LEU A 69 9.628 4.743 2.760 1.00 0.00 C ATOM 1094 O LEU A 69 9.243 4.188 3.791 1.00 0.00 O ATOM 1095 CB LEU A 69 10.039 7.162 3.302 1.00 0.00 C ATOM 1096 CG LEU A 69 9.786 8.642 3.003 1.00 0.00 C ATOM 1097 CD1 LEU A 69 10.583 9.522 3.952 1.00 0.00 C ATOM 1098 CD2 LEU A 69 10.141 8.963 1.558 1.00 0.00 C ATOM 0 H LEU A 69 7.525 6.286 3.670 1.00 0.00 H new ATOM 0 HA LEU A 69 9.431 6.381 1.400 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.820 6.977 4.353 1.00 0.00 H new ATOM 0 HB3 LEU A 69 11.099 6.953 3.156 1.00 0.00 H new ATOM 0 HG LEU A 69 8.726 8.845 3.152 1.00 0.00 H new ATOM 0 HD11 LEU A 69 10.390 10.570 3.724 1.00 0.00 H new ATOM 0 HD12 LEU A 69 10.284 9.313 4.979 1.00 0.00 H new ATOM 0 HD13 LEU A 69 11.647 9.315 3.834 1.00 0.00 H new ATOM 0 HD21 LEU A 69 9.955 10.019 1.364 1.00 0.00 H new ATOM 0 HD22 LEU A 69 11.194 8.742 1.384 1.00 0.00 H new ATOM 0 HD23 LEU A 69 9.529 8.358 0.890 1.00 0.00 H new ATOM 1110 N PRO A 70 10.399 4.116 1.861 1.00 0.00 N ATOM 1111 CA PRO A 70 10.795 2.713 2.000 1.00 0.00 C ATOM 1112 C PRO A 70 11.963 2.510 2.964 1.00 0.00 C ATOM 1113 O PRO A 70 13.028 2.028 2.574 1.00 0.00 O ATOM 1114 CB PRO A 70 11.202 2.335 0.575 1.00 0.00 C ATOM 1115 CG PRO A 70 11.710 3.603 -0.023 1.00 0.00 C ATOM 1116 CD PRO A 70 10.938 4.724 0.628 1.00 0.00 C ATOM 0 HA PRO A 70 9.993 2.103 2.417 1.00 0.00 H new ATOM 0 HB2 PRO A 70 11.970 1.562 0.575 1.00 0.00 H new ATOM 0 HB3 PRO A 70 10.355 1.943 0.012 1.00 0.00 H new ATOM 0 HG2 PRO A 70 12.780 3.714 0.155 1.00 0.00 H new ATOM 0 HG3 PRO A 70 11.564 3.608 -1.103 1.00 0.00 H new ATOM 0 HD2 PRO A 70 11.581 5.575 0.851 1.00 0.00 H new ATOM 0 HD3 PRO A 70 10.140 5.088 -0.019 1.00 0.00 H new ATOM 1124 N ASN A 71 11.759 2.862 4.225 1.00 0.00 N ATOM 1125 CA ASN A 71 12.802 2.702 5.231 1.00 0.00 C ATOM 1126 C ASN A 71 12.206 2.589 6.628 1.00 0.00 C ATOM 1127 O ASN A 71 12.508 1.649 7.364 1.00 0.00 O ATOM 1128 CB ASN A 71 13.788 3.872 5.164 1.00 0.00 C ATOM 1129 CG ASN A 71 14.893 3.768 6.199 1.00 0.00 C ATOM 1130 OD1 ASN A 71 14.798 4.337 7.288 1.00 0.00 O ATOM 1131 ND2 ASN A 71 15.948 3.035 5.874 1.00 0.00 N ATOM 0 H ASN A 71 10.887 3.258 4.576 1.00 0.00 H new ATOM 0 HA ASN A 71 13.338 1.777 5.019 1.00 0.00 H new ATOM 0 HB2 ASN A 71 14.231 3.912 4.169 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.246 4.807 5.310 1.00 0.00 H new ATOM 0 HD21 ASN A 71 16.717 2.927 6.535 1.00 0.00 H new ATOM 0 HD22 ASN A 71 15.991 2.579 4.963 1.00 0.00 H new ATOM 1138 N ASP A 72 11.342 3.529 6.981 1.00 0.00 N ATOM 1139 CA ASP A 72 10.745 3.553 8.311 1.00 0.00 C ATOM 1140 C ASP A 72 9.264 3.204 8.243 1.00 0.00 C ATOM 1141 O ASP A 72 8.710 3.024 7.159 1.00 0.00 O ATOM 1142 CB ASP A 72 10.948 4.918 8.978 1.00 0.00 C ATOM 1143 CG ASP A 72 10.250 6.049 8.249 1.00 0.00 C ATOM 1144 OD1 ASP A 72 10.673 6.392 7.124 1.00 0.00 O ATOM 1145 OD2 ASP A 72 9.288 6.614 8.808 1.00 0.00 O ATOM 0 H ASP A 72 11.038 4.285 6.367 1.00 0.00 H new ATOM 0 HA ASP A 72 11.247 2.801 8.919 1.00 0.00 H new ATOM 0 HB2 ASP A 72 10.579 4.873 10.003 1.00 0.00 H new ATOM 0 HB3 ASP A 72 12.015 5.133 9.032 1.00 0.00 H new ATOM 1150 N LEU A 73 8.629 3.101 9.404 1.00 0.00 N ATOM 1151 CA LEU A 73 7.243 2.655 9.479 1.00 0.00 C ATOM 1152 C LEU A 73 6.287 3.824 9.675 1.00 0.00 C ATOM 1153 O LEU A 73 6.474 4.653 10.569 1.00 0.00 O ATOM 1154 CB LEU A 73 7.070 1.663 10.628 1.00 0.00 C ATOM 1155 CG LEU A 73 7.914 0.390 10.531 1.00 0.00 C ATOM 1156 CD1 LEU A 73 7.696 -0.477 11.755 1.00 0.00 C ATOM 1157 CD2 LEU A 73 7.568 -0.387 9.274 1.00 0.00 C ATOM 0 H LEU A 73 9.051 3.320 10.306 1.00 0.00 H new ATOM 0 HA LEU A 73 7.004 2.171 8.532 1.00 0.00 H new ATOM 0 HB2 LEU A 73 7.313 2.169 11.562 1.00 0.00 H new ATOM 0 HB3 LEU A 73 6.019 1.378 10.684 1.00 0.00 H new ATOM 0 HG LEU A 73 8.964 0.677 10.482 1.00 0.00 H new ATOM 0 HD11 LEU A 73 8.302 -1.380 11.674 1.00 0.00 H new ATOM 0 HD12 LEU A 73 7.986 0.076 12.649 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.643 -0.752 11.824 1.00 0.00 H new ATOM 0 HD21 LEU A 73 8.179 -1.288 9.224 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.514 -0.664 9.296 1.00 0.00 H new ATOM 0 HD23 LEU A 73 7.762 0.232 8.398 1.00 0.00 H new ATOM 1169 N TYR A 74 5.261 3.879 8.839 1.00 0.00 N ATOM 1170 CA TYR A 74 4.229 4.902 8.949 1.00 0.00 C ATOM 1171 C TYR A 74 2.946 4.309 9.515 1.00 0.00 C ATOM 1172 O TYR A 74 2.504 3.248 9.080 1.00 0.00 O ATOM 1173 CB TYR A 74 3.939 5.526 7.582 1.00 0.00 C ATOM 1174 CG TYR A 74 4.952 6.555 7.139 1.00 0.00 C ATOM 1175 CD1 TYR A 74 6.196 6.179 6.646 1.00 0.00 C ATOM 1176 CD2 TYR A 74 4.657 7.909 7.209 1.00 0.00 C ATOM 1177 CE1 TYR A 74 7.117 7.126 6.238 1.00 0.00 C ATOM 1178 CE2 TYR A 74 5.569 8.861 6.801 1.00 0.00 C ATOM 1179 CZ TYR A 74 6.798 8.464 6.317 1.00 0.00 C ATOM 1180 OH TYR A 74 7.712 9.412 5.912 1.00 0.00 O ATOM 0 H TYR A 74 5.120 3.223 8.071 1.00 0.00 H new ATOM 0 HA TYR A 74 4.595 5.675 9.624 1.00 0.00 H new ATOM 0 HB2 TYR A 74 3.895 4.733 6.836 1.00 0.00 H new ATOM 0 HB3 TYR A 74 2.954 5.992 7.610 1.00 0.00 H new ATOM 0 HD1 TYR A 74 6.447 5.131 6.581 1.00 0.00 H new ATOM 0 HD2 TYR A 74 3.696 8.224 7.590 1.00 0.00 H new ATOM 0 HE1 TYR A 74 8.081 6.819 5.860 1.00 0.00 H new ATOM 0 HE2 TYR A 74 5.322 9.911 6.860 1.00 0.00 H new ATOM 0 HH TYR A 74 7.330 10.307 6.032 1.00 0.00 H new ATOM 1190 N PRO A 75 2.342 4.971 10.505 1.00 0.00 N ATOM 1191 CA PRO A 75 1.068 4.543 11.079 1.00 0.00 C ATOM 1192 C PRO A 75 -0.090 4.740 10.106 1.00 0.00 C ATOM 1193 O PRO A 75 -0.254 5.814 9.525 1.00 0.00 O ATOM 1194 CB PRO A 75 0.889 5.444 12.309 1.00 0.00 C ATOM 1195 CG PRO A 75 2.212 6.104 12.515 1.00 0.00 C ATOM 1196 CD PRO A 75 2.851 6.179 11.162 1.00 0.00 C ATOM 0 HA PRO A 75 1.072 3.480 11.321 1.00 0.00 H new ATOM 0 HB2 PRO A 75 0.104 6.182 12.144 1.00 0.00 H new ATOM 0 HB3 PRO A 75 0.601 4.861 13.184 1.00 0.00 H new ATOM 0 HG2 PRO A 75 2.089 7.098 12.944 1.00 0.00 H new ATOM 0 HG3 PRO A 75 2.830 5.532 13.207 1.00 0.00 H new ATOM 0 HD2 PRO A 75 2.564 7.084 10.627 1.00 0.00 H new ATOM 0 HD3 PRO A 75 3.939 6.179 11.226 1.00 0.00 H new ATOM 1204 N LEU A 76 -0.881 3.695 9.923 1.00 0.00 N ATOM 1205 CA LEU A 76 -2.061 3.772 9.075 1.00 0.00 C ATOM 1206 C LEU A 76 -3.147 4.604 9.753 1.00 0.00 C ATOM 1207 O LEU A 76 -3.296 4.556 10.975 1.00 0.00 O ATOM 1208 CB LEU A 76 -2.592 2.367 8.760 1.00 0.00 C ATOM 1209 CG LEU A 76 -1.739 1.548 7.787 1.00 0.00 C ATOM 1210 CD1 LEU A 76 -2.268 0.125 7.678 1.00 0.00 C ATOM 1211 CD2 LEU A 76 -1.717 2.212 6.419 1.00 0.00 C ATOM 0 H LEU A 76 -0.727 2.782 10.351 1.00 0.00 H new ATOM 0 HA LEU A 76 -1.780 4.255 8.139 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.682 1.813 9.694 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.596 2.460 8.347 1.00 0.00 H new ATOM 0 HG LEU A 76 -0.720 1.506 8.171 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -1.649 -0.441 6.982 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -2.239 -0.350 8.659 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.296 0.146 7.315 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.107 1.620 5.737 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.733 2.280 6.031 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.295 3.213 6.507 1.00 0.00 H new ATOM 1223 N PRO A 77 -3.913 5.383 8.967 1.00 0.00 N ATOM 1224 CA PRO A 77 -4.992 6.229 9.493 1.00 0.00 C ATOM 1225 C PRO A 77 -6.122 5.410 10.107 1.00 0.00 C ATOM 1226 O PRO A 77 -6.963 5.938 10.839 1.00 0.00 O ATOM 1227 CB PRO A 77 -5.495 6.988 8.258 1.00 0.00 C ATOM 1228 CG PRO A 77 -5.075 6.153 7.097 1.00 0.00 C ATOM 1229 CD PRO A 77 -3.777 5.515 7.504 1.00 0.00 C ATOM 0 HA PRO A 77 -4.640 6.880 10.293 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -6.578 7.112 8.284 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -5.061 7.986 8.204 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -5.827 5.398 6.865 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -4.948 6.762 6.202 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -3.636 4.547 7.023 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -2.921 6.134 7.233 1.00 0.00 H new ATOM 1237 N GLY A 78 -6.136 4.122 9.806 1.00 0.00 N ATOM 1238 CA GLY A 78 -7.160 3.248 10.322 1.00 0.00 C ATOM 1239 C GLY A 78 -7.084 1.870 9.706 1.00 0.00 C ATOM 1240 O GLY A 78 -5.999 1.398 9.361 1.00 0.00 O ATOM 0 H GLY A 78 -5.448 3.665 9.207 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -7.059 3.168 11.404 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -8.141 3.681 10.125 1.00 0.00 H new ATOM 1244 N GLU A 79 -8.233 1.238 9.549 1.00 0.00 N ATOM 1245 CA GLU A 79 -8.305 -0.103 8.990 1.00 0.00 C ATOM 1246 C GLU A 79 -9.174 -0.114 7.737 1.00 0.00 C ATOM 1247 O GLU A 79 -9.293 -1.132 7.051 1.00 0.00 O ATOM 1248 CB GLU A 79 -8.822 -1.079 10.048 1.00 0.00 C ATOM 1249 CG GLU A 79 -9.952 -0.520 10.890 1.00 0.00 C ATOM 1250 CD GLU A 79 -10.181 -1.320 12.154 1.00 0.00 C ATOM 1251 OE1 GLU A 79 -9.524 -1.022 13.173 1.00 0.00 O ATOM 1252 OE2 GLU A 79 -11.022 -2.245 12.132 1.00 0.00 O ATOM 0 H GLU A 79 -9.138 1.635 9.803 1.00 0.00 H new ATOM 0 HA GLU A 79 -7.306 -0.425 8.694 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -9.164 -1.989 9.555 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -7.998 -1.362 10.703 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -9.728 0.514 11.153 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -10.869 -0.507 10.300 1.00 0.00 H new ATOM 1259 N THR A 80 -9.783 1.029 7.457 1.00 0.00 N ATOM 1260 CA THR A 80 -10.465 1.266 6.195 1.00 0.00 C ATOM 1261 C THR A 80 -9.825 2.471 5.513 1.00 0.00 C ATOM 1262 O THR A 80 -10.036 3.612 5.928 1.00 0.00 O ATOM 1263 CB THR A 80 -11.974 1.523 6.406 1.00 0.00 C ATOM 1264 OG1 THR A 80 -12.609 0.351 6.939 1.00 0.00 O ATOM 1265 CG2 THR A 80 -12.657 1.923 5.106 1.00 0.00 C ATOM 0 H THR A 80 -9.818 1.819 8.101 1.00 0.00 H new ATOM 0 HA THR A 80 -10.367 0.378 5.571 1.00 0.00 H new ATOM 0 HB THR A 80 -12.072 2.346 7.114 1.00 0.00 H new ATOM 0 HG1 THR A 80 -13.564 0.527 7.070 1.00 0.00 H new ATOM 0 HG21 THR A 80 -13.717 2.096 5.290 1.00 0.00 H new ATOM 0 HG22 THR A 80 -12.202 2.836 4.722 1.00 0.00 H new ATOM 0 HG23 THR A 80 -12.542 1.124 4.374 1.00 0.00 H new ATOM 1273 N PHE A 81 -9.013 2.220 4.494 1.00 0.00 N ATOM 1274 CA PHE A 81 -8.237 3.283 3.873 1.00 0.00 C ATOM 1275 C PHE A 81 -7.923 2.971 2.415 1.00 0.00 C ATOM 1276 O PHE A 81 -8.195 1.873 1.922 1.00 0.00 O ATOM 1277 CB PHE A 81 -6.932 3.503 4.651 1.00 0.00 C ATOM 1278 CG PHE A 81 -6.060 2.279 4.728 1.00 0.00 C ATOM 1279 CD1 PHE A 81 -6.248 1.340 5.729 1.00 0.00 C ATOM 1280 CD2 PHE A 81 -5.057 2.069 3.797 1.00 0.00 C ATOM 1281 CE1 PHE A 81 -5.453 0.214 5.800 1.00 0.00 C ATOM 1282 CE2 PHE A 81 -4.258 0.946 3.864 1.00 0.00 C ATOM 1283 CZ PHE A 81 -4.456 0.017 4.866 1.00 0.00 C ATOM 0 H PHE A 81 -8.876 1.297 4.083 1.00 0.00 H new ATOM 0 HA PHE A 81 -8.837 4.192 3.900 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -6.370 4.310 4.180 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -7.173 3.831 5.662 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -7.026 1.491 6.463 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -4.898 2.792 3.010 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -5.611 -0.511 6.585 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -3.478 0.794 3.133 1.00 0.00 H new ATOM 0 HZ PHE A 81 -3.832 -0.863 4.919 1.00 0.00 H new ATOM 1293 N ARG A 82 -7.350 3.951 1.732 1.00 0.00 N ATOM 1294 CA ARG A 82 -6.934 3.785 0.348 1.00 0.00 C ATOM 1295 C ARG A 82 -5.447 4.089 0.210 1.00 0.00 C ATOM 1296 O ARG A 82 -4.909 4.944 0.920 1.00 0.00 O ATOM 1297 CB ARG A 82 -7.729 4.709 -0.583 1.00 0.00 C ATOM 1298 CG ARG A 82 -9.241 4.587 -0.452 1.00 0.00 C ATOM 1299 CD ARG A 82 -9.837 5.770 0.302 1.00 0.00 C ATOM 1300 NE ARG A 82 -9.647 7.030 -0.419 1.00 0.00 N ATOM 1301 CZ ARG A 82 -9.997 8.228 0.056 1.00 0.00 C ATOM 1302 NH1 ARG A 82 -10.574 8.338 1.249 1.00 0.00 N ATOM 1303 NH2 ARG A 82 -9.780 9.313 -0.675 1.00 0.00 N ATOM 0 H ARG A 82 -7.162 4.876 2.118 1.00 0.00 H new ATOM 0 HA ARG A 82 -7.127 2.751 0.061 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -7.442 5.741 -0.382 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -7.448 4.495 -1.614 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -9.689 4.524 -1.444 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -9.488 3.662 0.068 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -10.902 5.600 0.461 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -9.375 5.842 1.287 1.00 0.00 H new ATOM 0 HE ARG A 82 -9.220 6.990 -1.344 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -10.752 7.504 1.808 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -10.838 9.257 1.605 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -9.348 9.230 -1.595 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -10.045 10.231 -0.317 1.00 0.00 H new ATOM 1317 N LEU A 83 -4.785 3.376 -0.684 1.00 0.00 N ATOM 1318 CA LEU A 83 -3.395 3.647 -1.012 1.00 0.00 C ATOM 1319 C LEU A 83 -3.299 4.114 -2.456 1.00 0.00 C ATOM 1320 O LEU A 83 -3.661 3.387 -3.377 1.00 0.00 O ATOM 1321 CB LEU A 83 -2.536 2.399 -0.809 1.00 0.00 C ATOM 1322 CG LEU A 83 -2.463 1.883 0.627 1.00 0.00 C ATOM 1323 CD1 LEU A 83 -1.651 0.599 0.689 1.00 0.00 C ATOM 1324 CD2 LEU A 83 -1.859 2.938 1.541 1.00 0.00 C ATOM 0 H LEU A 83 -5.192 2.597 -1.201 1.00 0.00 H new ATOM 0 HA LEU A 83 -3.023 4.428 -0.349 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -2.925 1.603 -1.444 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.524 2.615 -1.152 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.476 1.669 0.969 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -1.609 0.245 1.719 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -2.121 -0.160 0.063 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.640 0.790 0.329 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -1.814 2.554 2.560 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -0.853 3.181 1.200 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -2.477 3.836 1.518 1.00 0.00 H new ATOM 1336 N TYR A 84 -2.824 5.328 -2.651 1.00 0.00 N ATOM 1337 CA TYR A 84 -2.761 5.907 -3.980 1.00 0.00 C ATOM 1338 C TYR A 84 -1.394 5.688 -4.604 1.00 0.00 C ATOM 1339 O TYR A 84 -0.416 6.338 -4.237 1.00 0.00 O ATOM 1340 CB TYR A 84 -3.097 7.399 -3.934 1.00 0.00 C ATOM 1341 CG TYR A 84 -4.558 7.670 -3.664 1.00 0.00 C ATOM 1342 CD1 TYR A 84 -5.467 7.727 -4.709 1.00 0.00 C ATOM 1343 CD2 TYR A 84 -5.028 7.861 -2.372 1.00 0.00 C ATOM 1344 CE1 TYR A 84 -6.807 7.963 -4.478 1.00 0.00 C ATOM 1345 CE2 TYR A 84 -6.368 8.099 -2.131 1.00 0.00 C ATOM 1346 CZ TYR A 84 -7.253 8.149 -3.188 1.00 0.00 C ATOM 1347 OH TYR A 84 -8.590 8.378 -2.954 1.00 0.00 O ATOM 0 H TYR A 84 -2.476 5.933 -1.907 1.00 0.00 H new ATOM 0 HA TYR A 84 -3.502 5.405 -4.602 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -2.496 7.877 -3.160 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -2.818 7.857 -4.883 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -5.120 7.584 -5.722 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -4.337 7.823 -1.543 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -7.502 8.002 -5.304 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -6.720 8.245 -1.121 1.00 0.00 H new ATOM 0 HH TYR A 84 -9.127 7.799 -3.534 1.00 0.00 H new ATOM 1357 N TYR A 85 -1.326 4.757 -5.537 1.00 0.00 N ATOM 1358 CA TYR A 85 -0.086 4.481 -6.230 1.00 0.00 C ATOM 1359 C TYR A 85 -0.020 5.275 -7.526 1.00 0.00 C ATOM 1360 O TYR A 85 -0.789 5.033 -8.457 1.00 0.00 O ATOM 1361 CB TYR A 85 0.059 2.990 -6.523 1.00 0.00 C ATOM 1362 CG TYR A 85 1.351 2.653 -7.232 1.00 0.00 C ATOM 1363 CD1 TYR A 85 2.555 2.628 -6.538 1.00 0.00 C ATOM 1364 CD2 TYR A 85 1.374 2.386 -8.597 1.00 0.00 C ATOM 1365 CE1 TYR A 85 3.741 2.338 -7.182 1.00 0.00 C ATOM 1366 CE2 TYR A 85 2.559 2.099 -9.245 1.00 0.00 C ATOM 1367 CZ TYR A 85 3.737 2.077 -8.533 1.00 0.00 C ATOM 1368 OH TYR A 85 4.918 1.796 -9.177 1.00 0.00 O ATOM 0 H TYR A 85 -2.115 4.181 -5.831 1.00 0.00 H new ATOM 0 HA TYR A 85 0.737 4.784 -5.583 1.00 0.00 H new ATOM 0 HB2 TYR A 85 0.009 2.434 -5.587 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -0.782 2.662 -7.134 1.00 0.00 H new ATOM 0 HD1 TYR A 85 2.563 2.839 -5.479 1.00 0.00 H new ATOM 0 HD2 TYR A 85 0.451 2.403 -9.158 1.00 0.00 H new ATOM 0 HE1 TYR A 85 4.668 2.316 -6.628 1.00 0.00 H new ATOM 0 HE2 TYR A 85 2.562 1.893 -10.305 1.00 0.00 H new ATOM 0 HH TYR A 85 4.934 2.251 -10.045 1.00 0.00 H new ATOM 1378 N THR A 86 0.888 6.227 -7.572 1.00 0.00 N ATOM 1379 CA THR A 86 1.082 7.036 -8.754 1.00 0.00 C ATOM 1380 C THR A 86 2.154 6.414 -9.645 1.00 0.00 C ATOM 1381 O THR A 86 3.332 6.364 -9.276 1.00 0.00 O ATOM 1382 CB THR A 86 1.492 8.474 -8.382 1.00 0.00 C ATOM 1383 OG1 THR A 86 0.568 9.012 -7.424 1.00 0.00 O ATOM 1384 CG2 THR A 86 1.521 9.369 -9.611 1.00 0.00 C ATOM 0 H THR A 86 1.508 6.460 -6.796 1.00 0.00 H new ATOM 0 HA THR A 86 0.136 7.075 -9.293 1.00 0.00 H new ATOM 0 HB THR A 86 2.493 8.440 -7.952 1.00 0.00 H new ATOM 0 HG1 THR A 86 0.627 9.990 -7.426 1.00 0.00 H new ATOM 0 HG21 THR A 86 1.813 10.378 -9.320 1.00 0.00 H new ATOM 0 HG22 THR A 86 2.240 8.976 -10.330 1.00 0.00 H new ATOM 0 HG23 THR A 86 0.531 9.395 -10.065 1.00 0.00 H new ATOM 1392 N SER A 87 1.738 5.919 -10.800 1.00 0.00 N ATOM 1393 CA SER A 87 2.657 5.327 -11.753 1.00 0.00 C ATOM 1394 C SER A 87 3.583 6.403 -12.308 1.00 0.00 C ATOM 1395 O SER A 87 3.155 7.281 -13.054 1.00 0.00 O ATOM 1396 CB SER A 87 1.875 4.654 -12.886 1.00 0.00 C ATOM 1397 OG SER A 87 2.741 3.996 -13.795 1.00 0.00 O ATOM 0 H SER A 87 0.763 5.917 -11.099 1.00 0.00 H new ATOM 0 HA SER A 87 3.259 4.569 -11.252 1.00 0.00 H new ATOM 0 HB2 SER A 87 1.171 3.935 -12.467 1.00 0.00 H new ATOM 0 HB3 SER A 87 1.287 5.402 -13.418 1.00 0.00 H new ATOM 0 HG SER A 87 2.212 3.576 -14.505 1.00 0.00 H new ATOM 1403 N ALA A 88 4.847 6.343 -11.915 1.00 0.00 N ATOM 1404 CA ALA A 88 5.814 7.353 -12.312 1.00 0.00 C ATOM 1405 C ALA A 88 6.941 6.737 -13.121 1.00 0.00 C ATOM 1406 O ALA A 88 7.955 7.381 -13.385 1.00 0.00 O ATOM 1407 CB ALA A 88 6.367 8.061 -11.084 1.00 0.00 C ATOM 0 H ALA A 88 5.226 5.605 -11.321 1.00 0.00 H new ATOM 0 HA ALA A 88 5.307 8.084 -12.942 1.00 0.00 H new ATOM 0 HB1 ALA A 88 7.090 8.815 -11.394 1.00 0.00 H new ATOM 0 HB2 ALA A 88 5.552 8.541 -10.543 1.00 0.00 H new ATOM 0 HB3 ALA A 88 6.856 7.335 -10.435 1.00 0.00 H new ATOM 1413 N SER A 89 6.754 5.492 -13.523 1.00 0.00 N ATOM 1414 CA SER A 89 7.773 4.785 -14.274 1.00 0.00 C ATOM 1415 C SER A 89 7.211 4.319 -15.614 1.00 0.00 C ATOM 1416 O SER A 89 6.044 3.933 -15.708 1.00 0.00 O ATOM 1417 CB SER A 89 8.287 3.592 -13.458 1.00 0.00 C ATOM 1418 OG SER A 89 9.399 2.970 -14.078 1.00 0.00 O ATOM 0 H SER A 89 5.908 4.952 -13.342 1.00 0.00 H new ATOM 0 HA SER A 89 8.607 5.460 -14.469 1.00 0.00 H new ATOM 0 HB2 SER A 89 8.568 3.928 -12.460 1.00 0.00 H new ATOM 0 HB3 SER A 89 7.485 2.864 -13.335 1.00 0.00 H new ATOM 0 HG SER A 89 9.908 2.467 -13.408 1.00 0.00 H new ATOM 1424 N THR A 90 8.036 4.383 -16.649 1.00 0.00 N ATOM 1425 CA THR A 90 7.662 3.879 -17.963 1.00 0.00 C ATOM 1426 C THR A 90 7.989 2.397 -18.052 1.00 0.00 C ATOM 1427 O THR A 90 7.431 1.659 -18.868 1.00 0.00 O ATOM 1428 CB THR A 90 8.411 4.629 -19.080 1.00 0.00 C ATOM 1429 OG1 THR A 90 9.825 4.533 -18.862 1.00 0.00 O ATOM 1430 CG2 THR A 90 7.999 6.094 -19.126 1.00 0.00 C ATOM 0 H THR A 90 8.974 4.781 -16.604 1.00 0.00 H new ATOM 0 HA THR A 90 6.592 4.037 -18.095 1.00 0.00 H new ATOM 0 HB THR A 90 8.153 4.169 -20.034 1.00 0.00 H new ATOM 0 HG1 THR A 90 10.299 5.010 -19.575 1.00 0.00 H new ATOM 0 HG21 THR A 90 8.543 6.600 -19.924 1.00 0.00 H new ATOM 0 HG22 THR A 90 6.928 6.165 -19.315 1.00 0.00 H new ATOM 0 HG23 THR A 90 8.231 6.567 -18.172 1.00 0.00 H new ATOM 1438 N ASP A 91 8.900 1.981 -17.187 1.00 0.00 N ATOM 1439 CA ASP A 91 9.352 0.605 -17.114 1.00 0.00 C ATOM 1440 C ASP A 91 8.424 -0.200 -16.206 1.00 0.00 C ATOM 1441 O ASP A 91 7.527 0.364 -15.576 1.00 0.00 O ATOM 1442 CB ASP A 91 10.802 0.593 -16.602 1.00 0.00 C ATOM 1443 CG ASP A 91 11.335 -0.792 -16.294 1.00 0.00 C ATOM 1444 OD1 ASP A 91 11.247 -1.679 -17.169 1.00 0.00 O ATOM 1445 OD2 ASP A 91 11.818 -1.001 -15.160 1.00 0.00 O ATOM 0 H ASP A 91 9.350 2.597 -16.510 1.00 0.00 H new ATOM 0 HA ASP A 91 9.325 0.140 -18.099 1.00 0.00 H new ATOM 0 HB2 ASP A 91 11.444 1.061 -17.348 1.00 0.00 H new ATOM 0 HB3 ASP A 91 10.864 1.204 -15.701 1.00 0.00 H new ATOM 1450 N GLN A 92 8.623 -1.510 -16.163 1.00 0.00 N ATOM 1451 CA GLN A 92 7.830 -2.383 -15.314 1.00 0.00 C ATOM 1452 C GLN A 92 8.016 -1.968 -13.853 1.00 0.00 C ATOM 1453 O GLN A 92 9.107 -1.564 -13.453 1.00 0.00 O ATOM 1454 CB GLN A 92 8.263 -3.838 -15.518 1.00 0.00 C ATOM 1455 CG GLN A 92 7.121 -4.842 -15.481 1.00 0.00 C ATOM 1456 CD GLN A 92 6.369 -4.845 -14.166 1.00 0.00 C ATOM 1457 OE1 GLN A 92 5.384 -4.125 -14.002 1.00 0.00 O ATOM 1458 NE2 GLN A 92 6.840 -5.632 -13.215 1.00 0.00 N ATOM 0 H GLN A 92 9.334 -1.993 -16.712 1.00 0.00 H new ATOM 0 HA GLN A 92 6.776 -2.296 -15.577 1.00 0.00 H new ATOM 0 HB2 GLN A 92 8.774 -3.922 -16.477 1.00 0.00 H new ATOM 0 HB3 GLN A 92 8.987 -4.101 -14.747 1.00 0.00 H new ATOM 0 HG2 GLN A 92 6.425 -4.620 -16.289 1.00 0.00 H new ATOM 0 HG3 GLN A 92 7.518 -5.840 -15.667 1.00 0.00 H new ATOM 0 HE21 GLN A 92 7.659 -6.213 -13.393 1.00 0.00 H new ATOM 0 HE22 GLN A 92 6.384 -5.659 -12.303 1.00 0.00 H new ATOM 1467 N GLN A 93 6.962 -2.072 -13.065 1.00 0.00 N ATOM 1468 CA GLN A 93 6.986 -1.586 -11.697 1.00 0.00 C ATOM 1469 C GLN A 93 6.688 -2.711 -10.707 1.00 0.00 C ATOM 1470 O GLN A 93 5.661 -3.396 -10.810 1.00 0.00 O ATOM 1471 CB GLN A 93 5.987 -0.434 -11.548 1.00 0.00 C ATOM 1472 CG GLN A 93 6.336 0.766 -12.418 1.00 0.00 C ATOM 1473 CD GLN A 93 5.266 1.841 -12.433 1.00 0.00 C ATOM 1474 OE1 GLN A 93 5.270 2.758 -11.611 1.00 0.00 O ATOM 1475 NE2 GLN A 93 4.353 1.746 -13.382 1.00 0.00 N ATOM 0 H GLN A 93 6.076 -2.490 -13.349 1.00 0.00 H new ATOM 0 HA GLN A 93 7.986 -1.217 -11.469 1.00 0.00 H new ATOM 0 HB2 GLN A 93 4.990 -0.788 -11.809 1.00 0.00 H new ATOM 0 HB3 GLN A 93 5.952 -0.122 -10.504 1.00 0.00 H new ATOM 0 HG2 GLN A 93 7.270 1.201 -12.063 1.00 0.00 H new ATOM 0 HG3 GLN A 93 6.510 0.425 -13.439 1.00 0.00 H new ATOM 0 HE21 GLN A 93 4.384 0.971 -14.044 1.00 0.00 H new ATOM 0 HE22 GLN A 93 3.616 2.448 -13.453 1.00 0.00 H new ATOM 1484 N THR A 94 7.612 -2.912 -9.772 1.00 0.00 N ATOM 1485 CA THR A 94 7.469 -3.929 -8.737 1.00 0.00 C ATOM 1486 C THR A 94 7.560 -3.288 -7.349 1.00 0.00 C ATOM 1487 O THR A 94 8.572 -2.670 -7.016 1.00 0.00 O ATOM 1488 CB THR A 94 8.573 -4.996 -8.866 1.00 0.00 C ATOM 1489 OG1 THR A 94 8.834 -5.264 -10.253 1.00 0.00 O ATOM 1490 CG2 THR A 94 8.174 -6.285 -8.159 1.00 0.00 C ATOM 0 H THR A 94 8.478 -2.376 -9.711 1.00 0.00 H new ATOM 0 HA THR A 94 6.495 -4.401 -8.863 1.00 0.00 H new ATOM 0 HB THR A 94 9.476 -4.610 -8.393 1.00 0.00 H new ATOM 0 HG1 THR A 94 9.369 -4.536 -10.632 1.00 0.00 H new ATOM 0 HG21 THR A 94 8.971 -7.020 -8.266 1.00 0.00 H new ATOM 0 HG22 THR A 94 8.006 -6.083 -7.101 1.00 0.00 H new ATOM 0 HG23 THR A 94 7.258 -6.675 -8.603 1.00 0.00 H new ATOM 1498 N VAL A 95 6.508 -3.428 -6.549 1.00 0.00 N ATOM 1499 CA VAL A 95 6.459 -2.808 -5.224 1.00 0.00 C ATOM 1500 C VAL A 95 6.023 -3.817 -4.159 1.00 0.00 C ATOM 1501 O VAL A 95 4.997 -4.481 -4.308 1.00 0.00 O ATOM 1502 CB VAL A 95 5.482 -1.606 -5.200 1.00 0.00 C ATOM 1503 CG1 VAL A 95 5.493 -0.923 -3.837 1.00 0.00 C ATOM 1504 CG2 VAL A 95 5.823 -0.605 -6.295 1.00 0.00 C ATOM 0 H VAL A 95 5.676 -3.965 -6.793 1.00 0.00 H new ATOM 0 HA VAL A 95 7.467 -2.457 -5.002 1.00 0.00 H new ATOM 0 HB VAL A 95 4.479 -1.990 -5.385 1.00 0.00 H new ATOM 0 HG11 VAL A 95 4.799 -0.082 -3.846 1.00 0.00 H new ATOM 0 HG12 VAL A 95 5.190 -1.636 -3.070 1.00 0.00 H new ATOM 0 HG13 VAL A 95 6.498 -0.562 -3.619 1.00 0.00 H new ATOM 0 HG21 VAL A 95 5.122 0.229 -6.257 1.00 0.00 H new ATOM 0 HG22 VAL A 95 6.837 -0.234 -6.146 1.00 0.00 H new ATOM 0 HG23 VAL A 95 5.754 -1.092 -7.268 1.00 0.00 H new ATOM 1514 N ASP A 96 6.801 -3.927 -3.086 1.00 0.00 N ATOM 1515 CA ASP A 96 6.458 -4.815 -1.973 1.00 0.00 C ATOM 1516 C ASP A 96 5.891 -4.013 -0.810 1.00 0.00 C ATOM 1517 O ASP A 96 6.607 -3.243 -0.181 1.00 0.00 O ATOM 1518 CB ASP A 96 7.686 -5.592 -1.490 1.00 0.00 C ATOM 1519 CG ASP A 96 8.171 -6.623 -2.486 1.00 0.00 C ATOM 1520 OD1 ASP A 96 7.564 -7.713 -2.559 1.00 0.00 O ATOM 1521 OD2 ASP A 96 9.174 -6.361 -3.184 1.00 0.00 O ATOM 0 H ASP A 96 7.673 -3.414 -2.961 1.00 0.00 H new ATOM 0 HA ASP A 96 5.710 -5.521 -2.333 1.00 0.00 H new ATOM 0 HB2 ASP A 96 8.493 -4.890 -1.282 1.00 0.00 H new ATOM 0 HB3 ASP A 96 7.446 -6.089 -0.550 1.00 0.00 H new ATOM 1526 N VAL A 97 4.613 -4.192 -0.517 1.00 0.00 N ATOM 1527 CA VAL A 97 3.973 -3.444 0.560 1.00 0.00 C ATOM 1528 C VAL A 97 3.797 -4.320 1.797 1.00 0.00 C ATOM 1529 O VAL A 97 3.185 -5.386 1.731 1.00 0.00 O ATOM 1530 CB VAL A 97 2.601 -2.888 0.122 1.00 0.00 C ATOM 1531 CG1 VAL A 97 1.981 -2.044 1.224 1.00 0.00 C ATOM 1532 CG2 VAL A 97 2.736 -2.080 -1.158 1.00 0.00 C ATOM 0 H VAL A 97 3.999 -4.844 -1.005 1.00 0.00 H new ATOM 0 HA VAL A 97 4.625 -2.606 0.804 1.00 0.00 H new ATOM 0 HB VAL A 97 1.939 -3.732 -0.071 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.015 -1.664 0.891 1.00 0.00 H new ATOM 0 HG12 VAL A 97 1.843 -2.655 2.116 1.00 0.00 H new ATOM 0 HG13 VAL A 97 2.640 -1.207 1.456 1.00 0.00 H new ATOM 0 HG21 VAL A 97 1.759 -1.696 -1.451 1.00 0.00 H new ATOM 0 HG22 VAL A 97 3.418 -1.246 -0.992 1.00 0.00 H new ATOM 0 HG23 VAL A 97 3.128 -2.717 -1.951 1.00 0.00 H new ATOM 1542 N TYR A 98 4.342 -3.872 2.918 1.00 0.00 N ATOM 1543 CA TYR A 98 4.262 -4.622 4.166 1.00 0.00 C ATOM 1544 C TYR A 98 3.329 -3.929 5.158 1.00 0.00 C ATOM 1545 O TYR A 98 3.480 -2.737 5.439 1.00 0.00 O ATOM 1546 CB TYR A 98 5.651 -4.768 4.797 1.00 0.00 C ATOM 1547 CG TYR A 98 6.675 -5.426 3.902 1.00 0.00 C ATOM 1548 CD1 TYR A 98 7.390 -4.683 2.973 1.00 0.00 C ATOM 1549 CD2 TYR A 98 6.933 -6.787 3.992 1.00 0.00 C ATOM 1550 CE1 TYR A 98 8.329 -5.278 2.154 1.00 0.00 C ATOM 1551 CE2 TYR A 98 7.871 -7.390 3.178 1.00 0.00 C ATOM 1552 CZ TYR A 98 8.567 -6.630 2.262 1.00 0.00 C ATOM 1553 OH TYR A 98 9.504 -7.227 1.450 1.00 0.00 O ATOM 0 H TYR A 98 4.847 -2.989 2.991 1.00 0.00 H new ATOM 0 HA TYR A 98 3.865 -5.610 3.934 1.00 0.00 H new ATOM 0 HB2 TYR A 98 6.014 -3.780 5.080 1.00 0.00 H new ATOM 0 HB3 TYR A 98 5.561 -5.349 5.715 1.00 0.00 H new ATOM 0 HD1 TYR A 98 7.209 -3.622 2.889 1.00 0.00 H new ATOM 0 HD2 TYR A 98 6.391 -7.384 4.711 1.00 0.00 H new ATOM 0 HE1 TYR A 98 8.874 -4.687 1.433 1.00 0.00 H new ATOM 0 HE2 TYR A 98 8.058 -8.451 3.258 1.00 0.00 H new ATOM 0 HH TYR A 98 9.551 -8.184 1.654 1.00 0.00 H new ATOM 1563 N PHE A 99 2.370 -4.682 5.678 1.00 0.00 N ATOM 1564 CA PHE A 99 1.467 -4.191 6.712 1.00 0.00 C ATOM 1565 C PHE A 99 1.774 -4.890 8.030 1.00 0.00 C ATOM 1566 O PHE A 99 1.635 -6.111 8.137 1.00 0.00 O ATOM 1567 CB PHE A 99 0.006 -4.450 6.333 1.00 0.00 C ATOM 1568 CG PHE A 99 -0.460 -3.702 5.121 1.00 0.00 C ATOM 1569 CD1 PHE A 99 -0.893 -2.392 5.229 1.00 0.00 C ATOM 1570 CD2 PHE A 99 -0.482 -4.313 3.879 1.00 0.00 C ATOM 1571 CE1 PHE A 99 -1.337 -1.703 4.120 1.00 0.00 C ATOM 1572 CE2 PHE A 99 -0.923 -3.628 2.766 1.00 0.00 C ATOM 1573 CZ PHE A 99 -1.351 -2.322 2.886 1.00 0.00 C ATOM 0 H PHE A 99 2.195 -5.647 5.397 1.00 0.00 H new ATOM 0 HA PHE A 99 1.615 -3.116 6.814 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -0.128 -5.518 6.160 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -0.629 -4.182 7.177 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -0.883 -1.904 6.192 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -0.151 -5.336 3.781 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -1.673 -0.681 4.217 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -0.933 -4.114 1.801 1.00 0.00 H new ATOM 0 HZ PHE A 99 -1.697 -1.784 2.015 1.00 0.00 H new ATOM 1583 N GLN A 100 2.197 -4.127 9.023 1.00 0.00 N ATOM 1584 CA GLN A 100 2.558 -4.702 10.308 1.00 0.00 C ATOM 1585 C GLN A 100 1.591 -4.259 11.398 1.00 0.00 C ATOM 1586 O GLN A 100 1.297 -3.071 11.543 1.00 0.00 O ATOM 1587 CB GLN A 100 3.986 -4.314 10.685 1.00 0.00 C ATOM 1588 CG GLN A 100 4.534 -5.101 11.866 1.00 0.00 C ATOM 1589 CD GLN A 100 5.939 -4.689 12.254 1.00 0.00 C ATOM 1590 OE1 GLN A 100 6.732 -5.508 12.716 1.00 0.00 O ATOM 1591 NE2 GLN A 100 6.255 -3.417 12.087 1.00 0.00 N ATOM 0 H GLN A 100 2.299 -3.114 8.966 1.00 0.00 H new ATOM 0 HA GLN A 100 2.498 -5.787 10.218 1.00 0.00 H new ATOM 0 HB2 GLN A 100 4.636 -4.467 9.823 1.00 0.00 H new ATOM 0 HB3 GLN A 100 4.015 -3.250 10.922 1.00 0.00 H new ATOM 0 HG2 GLN A 100 3.873 -4.967 12.722 1.00 0.00 H new ATOM 0 HG3 GLN A 100 4.528 -6.163 11.621 1.00 0.00 H new ATOM 0 HE21 GLN A 100 5.570 -2.768 11.701 1.00 0.00 H new ATOM 0 HE22 GLN A 100 7.184 -3.084 12.344 1.00 0.00 H new ATOM 1600 N ASP A 101 1.105 -5.229 12.153 1.00 0.00 N ATOM 1601 CA ASP A 101 0.209 -4.980 13.271 1.00 0.00 C ATOM 1602 C ASP A 101 0.949 -5.249 14.582 1.00 0.00 C ATOM 1603 O ASP A 101 1.769 -6.171 14.655 1.00 0.00 O ATOM 1604 CB ASP A 101 -1.031 -5.869 13.151 1.00 0.00 C ATOM 1605 CG ASP A 101 -1.966 -5.733 14.332 1.00 0.00 C ATOM 1606 OD1 ASP A 101 -1.788 -6.476 15.313 1.00 0.00 O ATOM 1607 OD2 ASP A 101 -2.879 -4.887 14.284 1.00 0.00 O ATOM 0 H ASP A 101 1.321 -6.215 12.008 1.00 0.00 H new ATOM 0 HA ASP A 101 -0.116 -3.940 13.260 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -1.568 -5.614 12.237 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -0.719 -6.909 13.058 1.00 0.00 H new ATOM 1612 N SER A 102 0.667 -4.457 15.613 1.00 0.00 N ATOM 1613 CA SER A 102 1.434 -4.516 16.855 1.00 0.00 C ATOM 1614 C SER A 102 1.106 -5.753 17.703 1.00 0.00 C ATOM 1615 O SER A 102 1.744 -5.986 18.732 1.00 0.00 O ATOM 1616 CB SER A 102 1.230 -3.230 17.663 1.00 0.00 C ATOM 1617 OG SER A 102 -0.142 -2.902 17.783 1.00 0.00 O ATOM 0 H SER A 102 -0.085 -3.768 15.614 1.00 0.00 H new ATOM 0 HA SER A 102 2.485 -4.605 16.578 1.00 0.00 H new ATOM 0 HB2 SER A 102 1.664 -3.351 18.656 1.00 0.00 H new ATOM 0 HB3 SER A 102 1.760 -2.409 17.181 1.00 0.00 H new ATOM 0 HG SER A 102 -0.431 -3.038 18.709 1.00 0.00 H new ATOM 1623 N PHE A 103 0.134 -6.552 17.274 1.00 0.00 N ATOM 1624 CA PHE A 103 -0.166 -7.815 17.947 1.00 0.00 C ATOM 1625 C PHE A 103 0.840 -8.882 17.515 1.00 0.00 C ATOM 1626 O PHE A 103 0.918 -9.966 18.095 1.00 0.00 O ATOM 1627 CB PHE A 103 -1.603 -8.258 17.628 1.00 0.00 C ATOM 1628 CG PHE A 103 -2.018 -9.555 18.269 1.00 0.00 C ATOM 1629 CD1 PHE A 103 -2.320 -9.615 19.619 1.00 0.00 C ATOM 1630 CD2 PHE A 103 -2.117 -10.713 17.515 1.00 0.00 C ATOM 1631 CE1 PHE A 103 -2.707 -10.806 20.205 1.00 0.00 C ATOM 1632 CE2 PHE A 103 -2.502 -11.906 18.095 1.00 0.00 C ATOM 1633 CZ PHE A 103 -2.798 -11.952 19.442 1.00 0.00 C ATOM 0 H PHE A 103 -0.458 -6.351 16.468 1.00 0.00 H new ATOM 0 HA PHE A 103 -0.085 -7.676 19.025 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -2.290 -7.474 17.948 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -1.708 -8.353 16.547 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -2.252 -8.721 20.221 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -1.890 -10.683 16.460 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -2.938 -10.839 21.259 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -2.571 -12.801 17.495 1.00 0.00 H new ATOM 0 HZ PHE A 103 -3.100 -12.883 19.898 1.00 0.00 H new ATOM 1643 N GLY A 104 1.631 -8.552 16.502 1.00 0.00 N ATOM 1644 CA GLY A 104 2.646 -9.468 16.024 1.00 0.00 C ATOM 1645 C GLY A 104 2.309 -10.034 14.664 1.00 0.00 C ATOM 1646 O GLY A 104 2.773 -11.114 14.301 1.00 0.00 O ATOM 0 H GLY A 104 1.587 -7.664 16.002 1.00 0.00 H new ATOM 0 HA2 GLY A 104 3.604 -8.951 15.973 1.00 0.00 H new ATOM 0 HA3 GLY A 104 2.761 -10.284 16.737 1.00 0.00 H new ATOM 1650 N GLN A 105 1.490 -9.311 13.915 1.00 0.00 N ATOM 1651 CA GLN A 105 1.097 -9.745 12.585 1.00 0.00 C ATOM 1652 C GLN A 105 1.847 -8.954 11.525 1.00 0.00 C ATOM 1653 O GLN A 105 2.070 -7.752 11.676 1.00 0.00 O ATOM 1654 CB GLN A 105 -0.412 -9.585 12.390 1.00 0.00 C ATOM 1655 CG GLN A 105 -1.238 -10.364 13.401 1.00 0.00 C ATOM 1656 CD GLN A 105 -0.980 -11.859 13.350 1.00 0.00 C ATOM 1657 OE1 GLN A 105 -1.063 -12.547 14.365 1.00 0.00 O ATOM 1658 NE2 GLN A 105 -0.690 -12.375 12.164 1.00 0.00 N ATOM 0 H GLN A 105 1.085 -8.421 14.206 1.00 0.00 H new ATOM 0 HA GLN A 105 1.351 -10.800 12.481 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -0.670 -8.528 12.459 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -0.678 -9.913 11.385 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -1.017 -9.997 14.403 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -2.296 -10.177 13.219 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -0.630 -11.770 11.345 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -0.526 -13.377 12.070 1.00 0.00 H new ATOM 1667 N LEU A 106 2.249 -9.633 10.463 1.00 0.00 N ATOM 1668 CA LEU A 106 2.918 -8.985 9.350 1.00 0.00 C ATOM 1669 C LEU A 106 2.434 -9.589 8.038 1.00 0.00 C ATOM 1670 O LEU A 106 2.627 -10.777 7.782 1.00 0.00 O ATOM 1671 CB LEU A 106 4.440 -9.129 9.485 1.00 0.00 C ATOM 1672 CG LEU A 106 5.270 -8.491 8.365 1.00 0.00 C ATOM 1673 CD1 LEU A 106 4.999 -6.996 8.274 1.00 0.00 C ATOM 1674 CD2 LEU A 106 6.751 -8.749 8.591 1.00 0.00 C ATOM 0 H LEU A 106 2.122 -10.639 10.349 1.00 0.00 H new ATOM 0 HA LEU A 106 2.676 -7.922 9.357 1.00 0.00 H new ATOM 0 HB2 LEU A 106 4.745 -8.689 10.434 1.00 0.00 H new ATOM 0 HB3 LEU A 106 4.683 -10.190 9.533 1.00 0.00 H new ATOM 0 HG LEU A 106 4.976 -8.948 7.420 1.00 0.00 H new ATOM 0 HD11 LEU A 106 5.599 -6.566 7.472 1.00 0.00 H new ATOM 0 HD12 LEU A 106 3.942 -6.830 8.065 1.00 0.00 H new ATOM 0 HD13 LEU A 106 5.261 -6.520 9.219 1.00 0.00 H new ATOM 0 HD21 LEU A 106 7.327 -8.290 7.788 1.00 0.00 H new ATOM 0 HD22 LEU A 106 7.054 -8.319 9.546 1.00 0.00 H new ATOM 0 HD23 LEU A 106 6.936 -9.823 8.602 1.00 0.00 H new ATOM 1686 N GLN A 107 1.782 -8.773 7.229 1.00 0.00 N ATOM 1687 CA GLN A 107 1.291 -9.214 5.934 1.00 0.00 C ATOM 1688 C GLN A 107 2.039 -8.483 4.831 1.00 0.00 C ATOM 1689 O GLN A 107 2.215 -7.267 4.894 1.00 0.00 O ATOM 1690 CB GLN A 107 -0.216 -8.962 5.817 1.00 0.00 C ATOM 1691 CG GLN A 107 -0.812 -9.412 4.491 1.00 0.00 C ATOM 1692 CD GLN A 107 -0.609 -10.891 4.228 1.00 0.00 C ATOM 1693 OE1 GLN A 107 0.401 -11.296 3.655 1.00 0.00 O ATOM 1694 NE2 GLN A 107 -1.570 -11.701 4.634 1.00 0.00 N ATOM 0 H GLN A 107 1.579 -7.797 7.447 1.00 0.00 H new ATOM 0 HA GLN A 107 1.464 -10.285 5.834 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -0.726 -9.481 6.629 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -0.408 -7.897 5.949 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -1.879 -9.189 4.483 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -0.361 -8.838 3.682 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -2.391 -11.322 5.106 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -1.491 -12.706 4.476 1.00 0.00 H new ATOM 1703 N GLN A 108 2.485 -9.220 3.832 1.00 0.00 N ATOM 1704 CA GLN A 108 3.252 -8.640 2.746 1.00 0.00 C ATOM 1705 C GLN A 108 2.530 -8.828 1.419 1.00 0.00 C ATOM 1706 O GLN A 108 2.172 -9.943 1.045 1.00 0.00 O ATOM 1707 CB GLN A 108 4.651 -9.256 2.692 1.00 0.00 C ATOM 1708 CG GLN A 108 4.652 -10.774 2.640 1.00 0.00 C ATOM 1709 CD GLN A 108 6.050 -11.350 2.591 1.00 0.00 C ATOM 1710 OE1 GLN A 108 6.610 -11.559 1.516 1.00 0.00 O ATOM 1711 NE2 GLN A 108 6.624 -11.611 3.756 1.00 0.00 N ATOM 0 H GLN A 108 2.329 -10.225 3.750 1.00 0.00 H new ATOM 0 HA GLN A 108 3.354 -7.570 2.929 1.00 0.00 H new ATOM 0 HB2 GLN A 108 5.173 -8.872 1.816 1.00 0.00 H new ATOM 0 HB3 GLN A 108 5.214 -8.932 3.567 1.00 0.00 H new ATOM 0 HG2 GLN A 108 4.132 -11.165 3.514 1.00 0.00 H new ATOM 0 HG3 GLN A 108 4.095 -11.105 1.763 1.00 0.00 H new ATOM 0 HE21 GLN A 108 6.124 -11.422 4.625 1.00 0.00 H new ATOM 0 HE22 GLN A 108 7.566 -12.001 3.784 1.00 0.00 H new ATOM 1720 N LEU A 109 2.303 -7.728 0.720 1.00 0.00 N ATOM 1721 CA LEU A 109 1.635 -7.762 -0.570 1.00 0.00 C ATOM 1722 C LEU A 109 2.568 -7.244 -1.656 1.00 0.00 C ATOM 1723 O LEU A 109 2.908 -6.062 -1.683 1.00 0.00 O ATOM 1724 CB LEU A 109 0.357 -6.916 -0.542 1.00 0.00 C ATOM 1725 CG LEU A 109 -0.649 -7.265 0.560 1.00 0.00 C ATOM 1726 CD1 LEU A 109 -1.844 -6.326 0.505 1.00 0.00 C ATOM 1727 CD2 LEU A 109 -1.110 -8.710 0.441 1.00 0.00 C ATOM 0 H LEU A 109 2.574 -6.794 1.028 1.00 0.00 H new ATOM 0 HA LEU A 109 1.365 -8.795 -0.788 1.00 0.00 H new ATOM 0 HB2 LEU A 109 0.639 -5.869 -0.432 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -0.141 -7.012 -1.507 1.00 0.00 H new ATOM 0 HG LEU A 109 -0.150 -7.144 1.522 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -2.549 -6.588 1.294 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -1.507 -5.299 0.645 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -2.334 -6.417 -0.464 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -1.823 -8.931 1.235 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -1.587 -8.861 -0.527 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -0.251 -9.375 0.530 1.00 0.00 H new ATOM 1739 N THR A 110 2.990 -8.131 -2.536 1.00 0.00 N ATOM 1740 CA THR A 110 3.855 -7.757 -3.637 1.00 0.00 C ATOM 1741 C THR A 110 3.026 -7.402 -4.863 1.00 0.00 C ATOM 1742 O THR A 110 2.258 -8.226 -5.365 1.00 0.00 O ATOM 1743 CB THR A 110 4.829 -8.897 -3.992 1.00 0.00 C ATOM 1744 OG1 THR A 110 5.546 -9.303 -2.818 1.00 0.00 O ATOM 1745 CG2 THR A 110 5.813 -8.464 -5.071 1.00 0.00 C ATOM 0 H THR A 110 2.746 -9.121 -2.509 1.00 0.00 H new ATOM 0 HA THR A 110 4.434 -6.888 -3.323 1.00 0.00 H new ATOM 0 HB THR A 110 4.248 -9.735 -4.377 1.00 0.00 H new ATOM 0 HG1 THR A 110 6.456 -8.941 -2.849 1.00 0.00 H new ATOM 0 HG21 THR A 110 6.487 -9.289 -5.301 1.00 0.00 H new ATOM 0 HG22 THR A 110 5.266 -8.182 -5.970 1.00 0.00 H new ATOM 0 HG23 THR A 110 6.391 -7.611 -4.715 1.00 0.00 H new ATOM 1753 N PHE A 111 3.160 -6.174 -5.328 1.00 0.00 N ATOM 1754 CA PHE A 111 2.448 -5.730 -6.506 1.00 0.00 C ATOM 1755 C PHE A 111 3.380 -5.717 -7.704 1.00 0.00 C ATOM 1756 O PHE A 111 4.379 -4.997 -7.721 1.00 0.00 O ATOM 1757 CB PHE A 111 1.852 -4.336 -6.284 1.00 0.00 C ATOM 1758 CG PHE A 111 0.775 -4.299 -5.236 1.00 0.00 C ATOM 1759 CD1 PHE A 111 -0.548 -4.524 -5.579 1.00 0.00 C ATOM 1760 CD2 PHE A 111 1.086 -4.043 -3.912 1.00 0.00 C ATOM 1761 CE1 PHE A 111 -1.541 -4.494 -4.619 1.00 0.00 C ATOM 1762 CE2 PHE A 111 0.097 -4.013 -2.946 1.00 0.00 C ATOM 1763 CZ PHE A 111 -1.218 -4.239 -3.301 1.00 0.00 C ATOM 0 H PHE A 111 3.759 -5.465 -4.904 1.00 0.00 H new ATOM 0 HA PHE A 111 1.632 -6.426 -6.700 1.00 0.00 H new ATOM 0 HB2 PHE A 111 2.650 -3.651 -5.997 1.00 0.00 H new ATOM 0 HB3 PHE A 111 1.443 -3.971 -7.226 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -0.806 -4.725 -6.608 1.00 0.00 H new ATOM 0 HD2 PHE A 111 2.113 -3.865 -3.630 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -2.569 -4.670 -4.899 1.00 0.00 H new ATOM 0 HE2 PHE A 111 0.353 -3.813 -1.916 1.00 0.00 H new ATOM 0 HZ PHE A 111 -1.993 -4.216 -2.549 1.00 0.00 H new ATOM 1773 N SER A 112 3.051 -6.525 -8.693 1.00 0.00 N ATOM 1774 CA SER A 112 3.805 -6.576 -9.928 1.00 0.00 C ATOM 1775 C SER A 112 2.861 -6.319 -11.091 1.00 0.00 C ATOM 1776 O SER A 112 1.908 -7.072 -11.300 1.00 0.00 O ATOM 1777 CB SER A 112 4.472 -7.946 -10.086 1.00 0.00 C ATOM 1778 OG SER A 112 5.135 -8.333 -8.892 1.00 0.00 O ATOM 0 H SER A 112 2.255 -7.163 -8.662 1.00 0.00 H new ATOM 0 HA SER A 112 4.585 -5.815 -9.911 1.00 0.00 H new ATOM 0 HB2 SER A 112 3.721 -8.692 -10.346 1.00 0.00 H new ATOM 0 HB3 SER A 112 5.187 -7.913 -10.908 1.00 0.00 H new ATOM 0 HG SER A 112 5.551 -9.211 -9.019 1.00 0.00 H new ATOM 1784 N PHE A 113 3.111 -5.255 -11.831 1.00 0.00 N ATOM 1785 CA PHE A 113 2.251 -4.899 -12.949 1.00 0.00 C ATOM 1786 C PHE A 113 2.566 -5.766 -14.159 1.00 0.00 C ATOM 1787 O PHE A 113 3.471 -6.600 -14.109 1.00 0.00 O ATOM 1788 CB PHE A 113 2.382 -3.413 -13.283 1.00 0.00 C ATOM 1789 CG PHE A 113 1.917 -2.521 -12.168 1.00 0.00 C ATOM 1790 CD1 PHE A 113 0.582 -2.170 -12.055 1.00 0.00 C ATOM 1791 CD2 PHE A 113 2.812 -2.044 -11.224 1.00 0.00 C ATOM 1792 CE1 PHE A 113 0.148 -1.361 -11.022 1.00 0.00 C ATOM 1793 CE2 PHE A 113 2.386 -1.234 -10.192 1.00 0.00 C ATOM 1794 CZ PHE A 113 1.051 -0.892 -10.090 1.00 0.00 C ATOM 0 H PHE A 113 3.898 -4.624 -11.681 1.00 0.00 H new ATOM 0 HA PHE A 113 1.216 -5.083 -12.662 1.00 0.00 H new ATOM 0 HB2 PHE A 113 3.424 -3.188 -13.512 1.00 0.00 H new ATOM 0 HB3 PHE A 113 1.804 -3.195 -14.181 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -0.128 -2.533 -12.783 1.00 0.00 H new ATOM 0 HD2 PHE A 113 3.856 -2.310 -11.297 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -0.896 -1.096 -10.944 1.00 0.00 H new ATOM 0 HE2 PHE A 113 3.095 -0.867 -9.464 1.00 0.00 H new ATOM 0 HZ PHE A 113 0.715 -0.259 -9.282 1.00 0.00 H new ATOM 1804 N ASN A 114 1.783 -5.594 -15.224 1.00 0.00 N ATOM 1805 CA ASN A 114 1.911 -6.413 -16.430 1.00 0.00 C ATOM 1806 C ASN A 114 3.354 -6.447 -16.926 1.00 0.00 C ATOM 1807 O ASN A 114 3.868 -5.461 -17.460 1.00 0.00 O ATOM 1808 CB ASN A 114 0.985 -5.887 -17.532 1.00 0.00 C ATOM 1809 CG ASN A 114 1.030 -6.722 -18.803 1.00 0.00 C ATOM 1810 OD1 ASN A 114 0.866 -6.198 -19.905 1.00 0.00 O ATOM 1811 ND2 ASN A 114 1.231 -8.027 -18.664 1.00 0.00 N ATOM 0 H ASN A 114 1.048 -4.889 -15.276 1.00 0.00 H new ATOM 0 HA ASN A 114 1.618 -7.431 -16.176 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -0.038 -5.863 -17.157 1.00 0.00 H new ATOM 0 HB3 ASN A 114 1.261 -4.860 -17.770 1.00 0.00 H new ATOM 0 HD21 ASN A 114 1.253 -8.630 -19.486 1.00 0.00 H new ATOM 0 HD22 ASN A 114 1.363 -8.427 -17.735 1.00 0.00 H new ATOM 1818 N ASN A 115 3.994 -7.590 -16.731 1.00 0.00 N ATOM 1819 CA ASN A 115 5.386 -7.778 -17.103 1.00 0.00 C ATOM 1820 C ASN A 115 5.496 -8.779 -18.244 1.00 0.00 C ATOM 1821 O ASN A 115 4.955 -9.882 -18.163 1.00 0.00 O ATOM 1822 CB ASN A 115 6.192 -8.276 -15.897 1.00 0.00 C ATOM 1823 CG ASN A 115 7.640 -8.580 -16.244 1.00 0.00 C ATOM 1824 OD1 ASN A 115 8.227 -7.951 -17.124 1.00 0.00 O ATOM 1825 ND2 ASN A 115 8.222 -9.551 -15.556 1.00 0.00 N ATOM 0 H ASN A 115 3.562 -8.413 -16.310 1.00 0.00 H new ATOM 0 HA ASN A 115 5.790 -6.820 -17.431 1.00 0.00 H new ATOM 0 HB2 ASN A 115 6.162 -7.523 -15.109 1.00 0.00 H new ATOM 0 HB3 ASN A 115 5.722 -9.175 -15.497 1.00 0.00 H new ATOM 0 HD21 ASN A 115 9.192 -9.801 -15.748 1.00 0.00 H new ATOM 0 HD22 ASN A 115 7.700 -10.048 -14.834 1.00 0.00 H new ATOM 1832 N ASP A 116 6.190 -8.390 -19.301 1.00 0.00 N ATOM 1833 CA ASP A 116 6.364 -9.260 -20.455 1.00 0.00 C ATOM 1834 C ASP A 116 7.832 -9.644 -20.609 1.00 0.00 C ATOM 1835 O ASP A 116 8.221 -10.237 -21.615 1.00 0.00 O ATOM 1836 CB ASP A 116 5.846 -8.581 -21.732 1.00 0.00 C ATOM 1837 CG ASP A 116 6.699 -7.408 -22.179 1.00 0.00 C ATOM 1838 OD1 ASP A 116 6.637 -6.339 -21.534 1.00 0.00 O ATOM 1839 OD2 ASP A 116 7.412 -7.541 -23.196 1.00 0.00 O ATOM 0 H ASP A 116 6.642 -7.479 -19.385 1.00 0.00 H new ATOM 0 HA ASP A 116 5.782 -10.167 -20.294 1.00 0.00 H new ATOM 0 HB2 ASP A 116 5.804 -9.317 -22.535 1.00 0.00 H new ATOM 0 HB3 ASP A 116 4.826 -8.236 -21.563 1.00 0.00 H new ATOM 1844 N SER A 117 8.624 -9.307 -19.586 1.00 0.00 N ATOM 1845 CA SER A 117 10.055 -9.615 -19.541 1.00 0.00 C ATOM 1846 C SER A 117 10.847 -8.763 -20.529 1.00 0.00 C ATOM 1847 O SER A 117 10.508 -8.669 -21.709 1.00 0.00 O ATOM 1848 CB SER A 117 10.303 -11.104 -19.793 1.00 0.00 C ATOM 1849 OG SER A 117 9.666 -11.893 -18.801 1.00 0.00 O ATOM 0 H SER A 117 8.287 -8.810 -18.762 1.00 0.00 H new ATOM 0 HA SER A 117 10.407 -9.372 -18.539 1.00 0.00 H new ATOM 0 HB2 SER A 117 9.928 -11.378 -20.779 1.00 0.00 H new ATOM 0 HB3 SER A 117 11.374 -11.305 -19.792 1.00 0.00 H new ATOM 0 HG SER A 117 9.834 -12.842 -18.980 1.00 0.00 H new ATOM 1855 N SER A 118 11.916 -8.151 -20.038 1.00 0.00 N ATOM 1856 CA SER A 118 12.726 -7.264 -20.853 1.00 0.00 C ATOM 1857 C SER A 118 13.967 -6.812 -20.094 1.00 0.00 C ATOM 1858 O SER A 118 15.088 -6.952 -20.581 1.00 0.00 O ATOM 1859 CB SER A 118 11.904 -6.041 -21.275 1.00 0.00 C ATOM 1860 OG SER A 118 12.598 -5.255 -22.230 1.00 0.00 O ATOM 0 H SER A 118 12.241 -8.255 -19.077 1.00 0.00 H new ATOM 0 HA SER A 118 13.042 -7.811 -21.741 1.00 0.00 H new ATOM 0 HB2 SER A 118 10.952 -6.367 -21.693 1.00 0.00 H new ATOM 0 HB3 SER A 118 11.676 -5.434 -20.399 1.00 0.00 H new ATOM 0 HG SER A 118 12.048 -4.484 -22.481 1.00 0.00 H new ATOM 1866 N LYS A 119 13.770 -6.283 -18.894 1.00 0.00 N ATOM 1867 CA LYS A 119 14.859 -5.656 -18.162 1.00 0.00 C ATOM 1868 C LYS A 119 15.698 -6.662 -17.379 1.00 0.00 C ATOM 1869 O LYS A 119 15.267 -7.213 -16.366 1.00 0.00 O ATOM 1870 CB LYS A 119 14.341 -4.554 -17.233 1.00 0.00 C ATOM 1871 CG LYS A 119 13.258 -4.988 -16.258 1.00 0.00 C ATOM 1872 CD LYS A 119 12.968 -3.884 -15.261 1.00 0.00 C ATOM 1873 CE LYS A 119 11.756 -4.191 -14.399 1.00 0.00 C ATOM 1874 NZ LYS A 119 11.414 -3.043 -13.523 1.00 0.00 N ATOM 0 H LYS A 119 12.872 -6.276 -18.410 1.00 0.00 H new ATOM 0 HA LYS A 119 15.511 -5.206 -18.910 1.00 0.00 H new ATOM 0 HB2 LYS A 119 15.181 -4.155 -16.665 1.00 0.00 H new ATOM 0 HB3 LYS A 119 13.953 -3.738 -17.843 1.00 0.00 H new ATOM 0 HG2 LYS A 119 12.349 -5.241 -16.804 1.00 0.00 H new ATOM 0 HG3 LYS A 119 13.574 -5.888 -15.731 1.00 0.00 H new ATOM 0 HD2 LYS A 119 13.838 -3.737 -14.621 1.00 0.00 H new ATOM 0 HD3 LYS A 119 12.804 -2.948 -15.796 1.00 0.00 H new ATOM 0 HE2 LYS A 119 10.905 -4.431 -15.036 1.00 0.00 H new ATOM 0 HE3 LYS A 119 11.955 -5.071 -13.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 10.484 -3.205 -13.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 12.134 -2.948 -12.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 11.384 -2.171 -14.089 1.00 0.00 H new ATOM 1888 N GLU A 120 16.894 -6.896 -17.881 1.00 0.00 N ATOM 1889 CA GLU A 120 17.915 -7.645 -17.169 1.00 0.00 C ATOM 1890 C GLU A 120 19.231 -6.917 -17.399 1.00 0.00 C ATOM 1891 O GLU A 120 20.258 -7.506 -17.730 1.00 0.00 O ATOM 1892 CB GLU A 120 17.980 -9.091 -17.678 1.00 0.00 C ATOM 1893 CG GLU A 120 18.413 -10.112 -16.626 1.00 0.00 C ATOM 1894 CD GLU A 120 19.825 -9.896 -16.116 1.00 0.00 C ATOM 1895 OE1 GLU A 120 20.777 -10.342 -16.786 1.00 0.00 O ATOM 1896 OE2 GLU A 120 19.989 -9.280 -15.039 1.00 0.00 O ATOM 0 H GLU A 120 17.189 -6.570 -18.801 1.00 0.00 H new ATOM 0 HA GLU A 120 17.691 -7.702 -16.104 1.00 0.00 H new ATOM 0 HB2 GLU A 120 16.999 -9.374 -18.059 1.00 0.00 H new ATOM 0 HB3 GLU A 120 18.673 -9.137 -18.518 1.00 0.00 H new ATOM 0 HG2 GLU A 120 17.721 -10.070 -15.785 1.00 0.00 H new ATOM 0 HG3 GLU A 120 18.338 -11.113 -17.051 1.00 0.00 H new ATOM 1903 N GLU A 121 19.169 -5.608 -17.234 1.00 0.00 N ATOM 1904 CA GLU A 121 20.268 -4.730 -17.580 1.00 0.00 C ATOM 1905 C GLU A 121 20.741 -3.939 -16.370 1.00 0.00 C ATOM 1906 O GLU A 121 20.224 -4.106 -15.263 1.00 0.00 O ATOM 1907 CB GLU A 121 19.822 -3.791 -18.700 1.00 0.00 C ATOM 1908 CG GLU A 121 18.506 -3.086 -18.408 1.00 0.00 C ATOM 1909 CD GLU A 121 17.903 -2.458 -19.646 1.00 0.00 C ATOM 1910 OE1 GLU A 121 17.324 -3.199 -20.470 1.00 0.00 O ATOM 1911 OE2 GLU A 121 18.004 -1.227 -19.807 1.00 0.00 O ATOM 0 H GLU A 121 18.354 -5.125 -16.856 1.00 0.00 H new ATOM 0 HA GLU A 121 21.110 -5.331 -17.923 1.00 0.00 H new ATOM 0 HB2 GLU A 121 20.597 -3.043 -18.868 1.00 0.00 H new ATOM 0 HB3 GLU A 121 19.724 -4.361 -19.624 1.00 0.00 H new ATOM 0 HG2 GLU A 121 17.800 -3.801 -17.985 1.00 0.00 H new ATOM 0 HG3 GLU A 121 18.669 -2.315 -17.655 1.00 0.00 H new ATOM 1918 N GLU A 122 21.720 -3.077 -16.592 1.00 0.00 N ATOM 1919 CA GLU A 122 22.314 -2.295 -15.522 1.00 0.00 C ATOM 1920 C GLU A 122 21.472 -1.060 -15.216 1.00 0.00 C ATOM 1921 O GLU A 122 21.012 -0.367 -16.125 1.00 0.00 O ATOM 1922 CB GLU A 122 23.737 -1.890 -15.912 1.00 0.00 C ATOM 1923 CG GLU A 122 24.434 -1.013 -14.890 1.00 0.00 C ATOM 1924 CD GLU A 122 25.883 -0.760 -15.239 1.00 0.00 C ATOM 1925 OE1 GLU A 122 26.147 -0.036 -16.222 1.00 0.00 O ATOM 1926 OE2 GLU A 122 26.765 -1.288 -14.533 1.00 0.00 O ATOM 0 H GLU A 122 22.122 -2.901 -17.513 1.00 0.00 H new ATOM 0 HA GLU A 122 22.349 -2.906 -14.620 1.00 0.00 H new ATOM 0 HB2 GLU A 122 24.330 -2.791 -16.066 1.00 0.00 H new ATOM 0 HB3 GLU A 122 23.705 -1.363 -16.865 1.00 0.00 H new ATOM 0 HG2 GLU A 122 23.910 -0.060 -14.815 1.00 0.00 H new ATOM 0 HG3 GLU A 122 24.377 -1.486 -13.910 1.00 0.00 H new ATOM 1933 N LEU A 123 21.266 -0.803 -13.932 1.00 0.00 N ATOM 1934 CA LEU A 123 20.533 0.376 -13.488 1.00 0.00 C ATOM 1935 C LEU A 123 21.502 1.521 -13.202 1.00 0.00 C ATOM 1936 O LEU A 123 22.671 1.474 -13.597 1.00 0.00 O ATOM 1937 CB LEU A 123 19.698 0.063 -12.237 1.00 0.00 C ATOM 1938 CG LEU A 123 18.431 -0.774 -12.468 1.00 0.00 C ATOM 1939 CD1 LEU A 123 18.773 -2.224 -12.785 1.00 0.00 C ATOM 1940 CD2 LEU A 123 17.514 -0.696 -11.257 1.00 0.00 C ATOM 0 H LEU A 123 21.598 -1.399 -13.174 1.00 0.00 H new ATOM 0 HA LEU A 123 19.853 0.677 -14.285 1.00 0.00 H new ATOM 0 HB2 LEU A 123 20.332 -0.463 -11.523 1.00 0.00 H new ATOM 0 HB3 LEU A 123 19.408 1.005 -11.772 1.00 0.00 H new ATOM 0 HG LEU A 123 17.910 -0.359 -13.330 1.00 0.00 H new ATOM 0 HD11 LEU A 123 17.854 -2.788 -12.943 1.00 0.00 H new ATOM 0 HD12 LEU A 123 19.384 -2.265 -13.687 1.00 0.00 H new ATOM 0 HD13 LEU A 123 19.327 -2.658 -11.952 1.00 0.00 H new ATOM 0 HD21 LEU A 123 16.621 -1.295 -11.438 1.00 0.00 H new ATOM 0 HD22 LEU A 123 18.036 -1.079 -10.380 1.00 0.00 H new ATOM 0 HD23 LEU A 123 17.227 0.341 -11.084 1.00 0.00 H new ATOM 1952 N GLU A 124 21.024 2.551 -12.516 1.00 0.00 N ATOM 1953 CA GLU A 124 21.856 3.708 -12.229 1.00 0.00 C ATOM 1954 C GLU A 124 22.827 3.422 -11.089 1.00 0.00 C ATOM 1955 O GLU A 124 22.696 2.425 -10.378 1.00 0.00 O ATOM 1956 CB GLU A 124 21.001 4.929 -11.891 1.00 0.00 C ATOM 1957 CG GLU A 124 21.288 6.120 -12.791 1.00 0.00 C ATOM 1958 CD GLU A 124 22.774 6.344 -12.984 1.00 0.00 C ATOM 1959 OE1 GLU A 124 23.425 6.885 -12.068 1.00 0.00 O ATOM 1960 OE2 GLU A 124 23.305 5.947 -14.039 1.00 0.00 O ATOM 0 H GLU A 124 20.073 2.608 -12.152 1.00 0.00 H new ATOM 0 HA GLU A 124 22.433 3.923 -13.128 1.00 0.00 H new ATOM 0 HB2 GLU A 124 19.947 4.663 -11.974 1.00 0.00 H new ATOM 0 HB3 GLU A 124 21.177 5.213 -10.854 1.00 0.00 H new ATOM 0 HG2 GLU A 124 20.817 5.963 -13.761 1.00 0.00 H new ATOM 0 HG3 GLU A 124 20.840 7.015 -12.360 1.00 0.00 H new ATOM 1967 N HIS A 125 23.787 4.321 -10.917 1.00 0.00 N ATOM 1968 CA HIS A 125 24.830 4.167 -9.912 1.00 0.00 C ATOM 1969 C HIS A 125 24.242 4.331 -8.520 1.00 0.00 C ATOM 1970 O HIS A 125 24.255 3.410 -7.704 1.00 0.00 O ATOM 1971 CB HIS A 125 25.928 5.220 -10.113 1.00 0.00 C ATOM 1972 CG HIS A 125 26.514 5.254 -11.490 1.00 0.00 C ATOM 1973 ND1 HIS A 125 25.963 5.982 -12.525 1.00 0.00 N ATOM 1974 CD2 HIS A 125 27.621 4.666 -11.997 1.00 0.00 C ATOM 1975 CE1 HIS A 125 26.708 5.840 -13.605 1.00 0.00 C ATOM 1976 NE2 HIS A 125 27.721 5.049 -13.311 1.00 0.00 N ATOM 0 H HIS A 125 23.865 5.175 -11.469 1.00 0.00 H new ATOM 0 HA HIS A 125 25.259 3.170 -10.017 1.00 0.00 H new ATOM 0 HB2 HIS A 125 25.517 6.203 -9.883 1.00 0.00 H new ATOM 0 HB3 HIS A 125 26.728 5.033 -9.396 1.00 0.00 H new ATOM 0 HD1 HIS A 125 25.113 6.542 -12.465 1.00 0.00 H new ATOM 0 HD2 HIS A 125 28.300 4.016 -11.466 1.00 0.00 H new ATOM 0 HE1 HIS A 125 26.520 6.295 -14.566 1.00 0.00 H new ATOM 1985 N HIS A 126 23.715 5.515 -8.272 1.00 0.00 N ATOM 1986 CA HIS A 126 23.148 5.855 -6.982 1.00 0.00 C ATOM 1987 C HIS A 126 21.884 6.673 -7.199 1.00 0.00 C ATOM 1988 O HIS A 126 21.920 7.902 -7.189 1.00 0.00 O ATOM 1989 CB HIS A 126 24.175 6.641 -6.154 1.00 0.00 C ATOM 1990 CG HIS A 126 23.802 6.827 -4.716 1.00 0.00 C ATOM 1991 ND1 HIS A 126 24.396 6.124 -3.691 1.00 0.00 N ATOM 1992 CD2 HIS A 126 22.911 7.661 -4.131 1.00 0.00 C ATOM 1993 CE1 HIS A 126 23.886 6.516 -2.539 1.00 0.00 C ATOM 1994 NE2 HIS A 126 22.985 7.450 -2.779 1.00 0.00 N ATOM 0 H HIS A 126 23.668 6.267 -8.959 1.00 0.00 H new ATOM 0 HA HIS A 126 22.893 4.948 -6.433 1.00 0.00 H new ATOM 0 HB2 HIS A 126 25.134 6.125 -6.204 1.00 0.00 H new ATOM 0 HB3 HIS A 126 24.316 7.621 -6.609 1.00 0.00 H new ATOM 0 HD2 HIS A 126 22.263 8.362 -4.636 1.00 0.00 H new ATOM 0 HE1 HIS A 126 24.159 6.137 -1.565 1.00 0.00 H new ATOM 0 HE2 HIS A 126 22.433 7.936 -2.072 1.00 0.00 H new ATOM 2003 N HIS A 127 20.770 5.988 -7.421 1.00 0.00 N ATOM 2004 CA HIS A 127 19.531 6.667 -7.785 1.00 0.00 C ATOM 2005 C HIS A 127 18.790 7.160 -6.543 1.00 0.00 C ATOM 2006 O HIS A 127 17.757 6.615 -6.152 1.00 0.00 O ATOM 2007 CB HIS A 127 18.629 5.783 -8.684 1.00 0.00 C ATOM 2008 CG HIS A 127 18.137 4.494 -8.074 1.00 0.00 C ATOM 2009 ND1 HIS A 127 16.811 4.271 -7.770 1.00 0.00 N ATOM 2010 CD2 HIS A 127 18.788 3.348 -7.755 1.00 0.00 C ATOM 2011 CE1 HIS A 127 16.667 3.049 -7.291 1.00 0.00 C ATOM 2012 NE2 HIS A 127 17.852 2.468 -7.272 1.00 0.00 N ATOM 0 H HIS A 127 20.697 4.973 -7.357 1.00 0.00 H new ATOM 0 HA HIS A 127 19.798 7.542 -8.377 1.00 0.00 H new ATOM 0 HB2 HIS A 127 17.763 6.372 -8.984 1.00 0.00 H new ATOM 0 HB3 HIS A 127 19.181 5.543 -9.592 1.00 0.00 H new ATOM 0 HD2 HIS A 127 19.847 3.162 -7.861 1.00 0.00 H new ATOM 0 HE1 HIS A 127 15.738 2.601 -6.970 1.00 0.00 H new ATOM 0 HE2 HIS A 127 18.041 1.519 -6.950 1.00 0.00 H new ATOM 2021 N HIS A 128 19.365 8.181 -5.910 1.00 0.00 N ATOM 2022 CA HIS A 128 18.792 8.799 -4.720 1.00 0.00 C ATOM 2023 C HIS A 128 19.680 9.945 -4.250 1.00 0.00 C ATOM 2024 O HIS A 128 20.687 9.713 -3.586 1.00 0.00 O ATOM 2025 CB HIS A 128 18.637 7.771 -3.593 1.00 0.00 C ATOM 2026 CG HIS A 128 17.996 8.317 -2.355 1.00 0.00 C ATOM 2027 ND1 HIS A 128 18.717 8.752 -1.262 1.00 0.00 N ATOM 2028 CD2 HIS A 128 16.694 8.494 -2.036 1.00 0.00 C ATOM 2029 CE1 HIS A 128 17.887 9.168 -0.329 1.00 0.00 C ATOM 2030 NE2 HIS A 128 16.654 9.023 -0.773 1.00 0.00 N ATOM 0 H HIS A 128 20.244 8.603 -6.210 1.00 0.00 H new ATOM 0 HA HIS A 128 17.805 9.185 -4.976 1.00 0.00 H new ATOM 0 HB2 HIS A 128 18.043 6.933 -3.958 1.00 0.00 H new ATOM 0 HB3 HIS A 128 19.620 7.377 -3.337 1.00 0.00 H new ATOM 0 HD2 HIS A 128 15.844 8.262 -2.660 1.00 0.00 H new ATOM 0 HE1 HIS A 128 18.168 9.561 0.637 1.00 0.00 H new ATOM 0 HE2 HIS A 128 15.807 9.266 -0.259 1.00 0.00 H new ATOM 2039 N HIS A 129 19.307 11.166 -4.618 1.00 0.00 N ATOM 2040 CA HIS A 129 20.036 12.371 -4.217 1.00 0.00 C ATOM 2041 C HIS A 129 21.452 12.395 -4.791 1.00 0.00 C ATOM 2042 O HIS A 129 22.373 11.767 -4.263 1.00 0.00 O ATOM 2043 CB HIS A 129 20.068 12.521 -2.688 1.00 0.00 C ATOM 2044 CG HIS A 129 20.966 13.620 -2.198 1.00 0.00 C ATOM 2045 ND1 HIS A 129 20.860 14.930 -2.615 1.00 0.00 N ATOM 2046 CD2 HIS A 129 22.010 13.587 -1.337 1.00 0.00 C ATOM 2047 CE1 HIS A 129 21.799 15.652 -2.033 1.00 0.00 C ATOM 2048 NE2 HIS A 129 22.511 14.862 -1.254 1.00 0.00 N ATOM 0 H HIS A 129 18.492 11.352 -5.202 1.00 0.00 H new ATOM 0 HA HIS A 129 19.496 13.223 -4.632 1.00 0.00 H new ATOM 0 HB2 HIS A 129 19.055 12.708 -2.331 1.00 0.00 H new ATOM 0 HB3 HIS A 129 20.392 11.578 -2.248 1.00 0.00 H new ATOM 0 HD2 HIS A 129 22.380 12.718 -0.813 1.00 0.00 H new ATOM 0 HE1 HIS A 129 21.957 16.711 -2.172 1.00 0.00 H new ATOM 0 HE2 HIS A 129 23.305 15.151 -0.683 1.00 0.00 H new ATOM 2057 N HIS A 130 21.612 13.130 -5.876 1.00 0.00 N ATOM 2058 CA HIS A 130 22.916 13.340 -6.478 1.00 0.00 C ATOM 2059 C HIS A 130 23.336 14.790 -6.283 1.00 0.00 C ATOM 2060 O HIS A 130 24.194 15.051 -5.424 1.00 0.00 O ATOM 2061 CB HIS A 130 22.890 12.977 -7.970 1.00 0.00 C ATOM 2062 CG HIS A 130 24.163 13.305 -8.695 1.00 0.00 C ATOM 2063 ND1 HIS A 130 25.299 12.532 -8.622 1.00 0.00 N ATOM 2064 CD2 HIS A 130 24.473 14.344 -9.503 1.00 0.00 C ATOM 2065 CE1 HIS A 130 26.251 13.081 -9.349 1.00 0.00 C ATOM 2066 NE2 HIS A 130 25.779 14.187 -9.897 1.00 0.00 N ATOM 2067 OXT HIS A 130 22.786 15.668 -6.974 1.00 0.00 O ATOM 0 H HIS A 130 20.846 13.596 -6.363 1.00 0.00 H new ATOM 0 HA HIS A 130 23.643 12.690 -5.991 1.00 0.00 H new ATOM 0 HB2 HIS A 130 22.689 11.910 -8.072 1.00 0.00 H new ATOM 0 HB3 HIS A 130 22.064 13.504 -8.448 1.00 0.00 H new ATOM 0 HD2 HIS A 130 23.813 15.151 -9.787 1.00 0.00 H new ATOM 0 HE1 HIS A 130 27.250 12.692 -9.476 1.00 0.00 H new ATOM 0 HE2 HIS A 130 26.297 14.817 -10.509 1.00 0.00 H new TER 2076 HIS A 130