USER MOD reduce.3.24.130724 H: found=0, std=0, add=1079, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1079 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 110 GLN : amide:sc= -1.07 K(o=-1.4,f=-2.9) USER MOD Set 1.2: A 114 GLN :FLIP amide:sc= -0.381 F(o=-2.9,f=-1.4) USER MOD Set 2.1: A 47 CYS SG : rot -20:sc= -4.56! USER MOD Set 2.2: A 51 LYS NZ :NH3+ 158:sc= -0.373 (180deg=-1.02) USER MOD Set 2.3: A 105 GLN : amide:sc= -2.81 K(o=-7.7,f=-13!) USER MOD Set 3.1: A 73 THR OG1 : rot 180:sc= 1.07 USER MOD Set 3.2: A 86 LYS NZ :NH3+ -145:sc= 1.79 (180deg=-0.424) USER MOD Set 4.1: A 58 GLN : amide:sc= -1.55! C(o=-0.3!,f=-13!) USER MOD Set 4.2: A 62 LYS NZ :NH3+ -177:sc= 1.26 (180deg=-0.0722) USER MOD Set 5.1: A 40 ASN : amide:sc= -4.44! C(o=-12!,f=-22!) USER MOD Set 5.2: A 112 MET CE :methyl -142:sc= -7.39! (180deg=-4.56!) USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ -131:sc= -0.051 (180deg=-1.8) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 179:sc= 0.89 (180deg=0.87) USER MOD Single : A 20 SER OG : rot 68:sc= 1.22 USER MOD Single : A 21 HIS : no HE2:sc= 0.771 K(o=0.77,f=-3.3!) USER MOD Single : A 29 THR OG1 : rot 180:sc= -1.31 USER MOD Single : A 33 LYS NZ :NH3+ -146:sc= 2.03 (180deg=-1.19) USER MOD Single : A 34 THR OG1 : rot 58:sc= 1.78 USER MOD Single : A 37 SER OG : rot -42:sc= 0.329 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 12:sc= 0.919 USER MOD Single : A 54 LYS NZ :NH3+ 163:sc= -0.0291 (180deg=-0.287) USER MOD Single : A 57 GLN : amide:sc= -0.0428 X(o=-0.043,f=-0.52) USER MOD Single : A 60 HIS :FLIP no HE2:sc= 0.469 F(o=-2.4!,f=0.47) USER MOD Single : A 64 LYS NZ :NH3+ -177:sc= 0.842 (180deg=0.765) USER MOD Single : A 67 TYR OH : rot 180:sc= -0.274 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= 0.395 K(o=0.39,f=-6.2!) USER MOD Single : A 77 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0187) USER MOD Single : A 80 ASN : amide:sc= 0.0901 X(o=0.09,f=0) USER MOD Single : A 84 HIS : no HE2:sc= 0.207 K(o=0.21,f=-0.77) USER MOD Single : A 85 THR OG1 : rot -90:sc= -1.21 USER MOD Single : A 90 THR OG1 : rot -9:sc= 1.24 USER MOD Single : A 91 ASN : amide:sc= 0.954 K(o=0.95,f=-0.1) USER MOD Single : A 92 SER OG : rot -20:sc= 0.232 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 97 THR OG1 : rot 180:sc= -0.874 USER MOD Single : A 99 HIS : no HD1:sc= -2.09! C(o=-2.1!,f=-5.1!) USER MOD Single : A 100 SER OG : rot -95:sc= 0.883 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot 100:sc= 0.0381 USER MOD Single : A 116 SER OG : rot -102:sc= 0.977 USER MOD Single : A 117 TYR OH : rot 25:sc= 0.0141 USER MOD Single : A 118 THR OG1 : rot -6:sc= 0.728 USER MOD Single : A 122 LYS NZ :NH3+ -104:sc= 1.08 (180deg=-0.683) USER MOD Single : A 123 SER OG : rot -71:sc= 1.34 USER MOD Single : A 126 TYR OH : rot 8:sc= 0.0803 USER MOD Single : A 130 MET CE :methyl 137:sc= -0.324 (180deg=-2.33!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -21.299 -13.935 -10.068 1.00 0.00 N ATOM 2 CA SER A 1 -20.157 -13.599 -10.943 1.00 0.00 C ATOM 3 C SER A 1 -19.074 -12.859 -10.153 1.00 0.00 C ATOM 4 O SER A 1 -17.920 -13.291 -10.117 1.00 0.00 O ATOM 5 CB SER A 1 -20.643 -12.754 -12.126 1.00 0.00 C ATOM 6 OG SER A 1 -21.613 -13.455 -12.890 1.00 0.00 O ATOM 0 H1 SER A 1 -22.024 -14.436 -10.620 1.00 0.00 H new ATOM 0 H2 SER A 1 -20.973 -14.544 -9.291 1.00 0.00 H new ATOM 0 H3 SER A 1 -21.705 -13.061 -9.676 1.00 0.00 H new ATOM 0 HA SER A 1 -19.720 -14.521 -11.327 1.00 0.00 H new ATOM 0 HB2 SER A 1 -21.070 -11.820 -11.759 1.00 0.00 H new ATOM 0 HB3 SER A 1 -19.797 -12.490 -12.761 1.00 0.00 H new ATOM 0 HG SER A 1 -21.908 -12.894 -13.637 1.00 0.00 H new ATOM 14 N MET A 2 -19.447 -11.751 -9.514 1.00 0.00 N ATOM 15 CA MET A 2 -18.516 -10.987 -8.679 1.00 0.00 C ATOM 16 C MET A 2 -18.909 -11.117 -7.206 1.00 0.00 C ATOM 17 O MET A 2 -19.756 -11.945 -6.854 1.00 0.00 O ATOM 18 CB MET A 2 -18.503 -9.506 -9.096 1.00 0.00 C ATOM 19 CG MET A 2 -18.080 -9.269 -10.542 1.00 0.00 C ATOM 20 SD MET A 2 -16.417 -9.875 -10.897 1.00 0.00 S ATOM 21 CE MET A 2 -16.258 -9.440 -12.630 1.00 0.00 C ATOM 0 H MET A 2 -20.388 -11.361 -9.558 1.00 0.00 H new ATOM 0 HA MET A 2 -17.513 -11.391 -8.817 1.00 0.00 H new ATOM 0 HB2 MET A 2 -19.499 -9.089 -8.947 1.00 0.00 H new ATOM 0 HB3 MET A 2 -17.828 -8.960 -8.437 1.00 0.00 H new ATOM 0 HG2 MET A 2 -18.790 -9.760 -11.208 1.00 0.00 H new ATOM 0 HG3 MET A 2 -18.126 -8.202 -10.758 1.00 0.00 H new ATOM 0 HE1 MET A 2 -15.279 -9.751 -12.995 1.00 0.00 H new ATOM 0 HE2 MET A 2 -17.036 -9.943 -13.204 1.00 0.00 H new ATOM 0 HE3 MET A 2 -16.362 -8.361 -12.745 1.00 0.00 H new ATOM 31 N VAL A 3 -18.278 -10.315 -6.352 1.00 0.00 N ATOM 32 CA VAL A 3 -18.585 -10.305 -4.923 1.00 0.00 C ATOM 33 C VAL A 3 -20.042 -9.899 -4.670 1.00 0.00 C ATOM 34 O VAL A 3 -20.592 -9.044 -5.368 1.00 0.00 O ATOM 35 CB VAL A 3 -17.641 -9.345 -4.156 1.00 0.00 C ATOM 36 CG1 VAL A 3 -17.777 -7.911 -4.669 1.00 0.00 C ATOM 37 CG2 VAL A 3 -17.901 -9.411 -2.652 1.00 0.00 C ATOM 0 H VAL A 3 -17.546 -9.659 -6.627 1.00 0.00 H new ATOM 0 HA VAL A 3 -18.434 -11.320 -4.556 1.00 0.00 H new ATOM 0 HB VAL A 3 -16.616 -9.670 -4.338 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -17.103 -7.260 -4.112 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -17.521 -7.878 -5.728 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -18.804 -7.572 -4.533 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -17.226 -8.728 -2.136 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -18.933 -9.124 -2.448 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -17.730 -10.427 -2.297 1.00 0.00 H new ATOM 47 N SER A 4 -20.664 -10.534 -3.681 1.00 0.00 N ATOM 48 CA SER A 4 -22.030 -10.210 -3.284 1.00 0.00 C ATOM 49 C SER A 4 -22.018 -9.157 -2.168 1.00 0.00 C ATOM 50 O SER A 4 -21.091 -9.128 -1.358 1.00 0.00 O ATOM 51 CB SER A 4 -22.741 -11.483 -2.816 1.00 0.00 C ATOM 52 OG SER A 4 -22.672 -12.492 -3.813 1.00 0.00 O ATOM 0 H SER A 4 -20.238 -11.283 -3.135 1.00 0.00 H new ATOM 0 HA SER A 4 -22.568 -9.798 -4.138 1.00 0.00 H new ATOM 0 HB2 SER A 4 -22.283 -11.843 -1.895 1.00 0.00 H new ATOM 0 HB3 SER A 4 -23.783 -11.260 -2.588 1.00 0.00 H new ATOM 0 HG SER A 4 -23.130 -13.298 -3.495 1.00 0.00 H new ATOM 58 N PRO A 5 -23.050 -8.285 -2.104 1.00 0.00 N ATOM 59 CA PRO A 5 -23.116 -7.188 -1.123 1.00 0.00 C ATOM 60 C PRO A 5 -22.861 -7.654 0.315 1.00 0.00 C ATOM 61 O PRO A 5 -22.236 -6.943 1.101 1.00 0.00 O ATOM 62 CB PRO A 5 -24.548 -6.633 -1.274 1.00 0.00 C ATOM 63 CG PRO A 5 -25.276 -7.624 -2.125 1.00 0.00 C ATOM 64 CD PRO A 5 -24.231 -8.286 -2.981 1.00 0.00 C ATOM 0 HA PRO A 5 -22.342 -6.444 -1.311 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -25.030 -6.522 -0.303 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -24.539 -5.648 -1.740 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -25.798 -8.357 -1.510 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -26.029 -7.131 -2.740 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -24.522 -9.297 -3.267 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -24.052 -7.733 -3.903 1.00 0.00 H new ATOM 72 N GLU A 6 -23.340 -8.850 0.649 1.00 0.00 N ATOM 73 CA GLU A 6 -23.158 -9.406 1.991 1.00 0.00 C ATOM 74 C GLU A 6 -21.670 -9.675 2.251 1.00 0.00 C ATOM 75 O GLU A 6 -21.146 -9.397 3.328 1.00 0.00 O ATOM 76 CB GLU A 6 -23.987 -10.696 2.139 1.00 0.00 C ATOM 77 CG GLU A 6 -24.463 -10.994 3.560 1.00 0.00 C ATOM 78 CD GLU A 6 -23.338 -11.303 4.532 1.00 0.00 C ATOM 79 OE1 GLU A 6 -22.777 -12.419 4.461 1.00 0.00 O ATOM 80 OE2 GLU A 6 -23.024 -10.449 5.383 1.00 0.00 O ATOM 0 H GLU A 6 -23.857 -9.454 0.010 1.00 0.00 H new ATOM 0 HA GLU A 6 -23.507 -8.686 2.731 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -24.857 -10.628 1.486 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -23.390 -11.537 1.787 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -25.026 -10.138 3.931 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -25.150 -11.840 3.533 1.00 0.00 H new ATOM 87 N GLU A 7 -20.986 -10.194 1.242 1.00 0.00 N ATOM 88 CA GLU A 7 -19.557 -10.460 1.354 1.00 0.00 C ATOM 89 C GLU A 7 -18.808 -9.124 1.404 1.00 0.00 C ATOM 90 O GLU A 7 -17.769 -8.997 2.046 1.00 0.00 O ATOM 91 CB GLU A 7 -19.091 -11.322 0.165 1.00 0.00 C ATOM 92 CG GLU A 7 -17.932 -12.271 0.473 1.00 0.00 C ATOM 93 CD GLU A 7 -16.631 -11.565 0.820 1.00 0.00 C ATOM 94 OE1 GLU A 7 -16.118 -10.810 -0.031 1.00 0.00 O ATOM 95 OE2 GLU A 7 -16.098 -11.795 1.931 1.00 0.00 O ATOM 0 H GLU A 7 -21.394 -10.439 0.340 1.00 0.00 H new ATOM 0 HA GLU A 7 -19.345 -11.014 2.268 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -19.937 -11.909 -0.193 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -18.794 -10.661 -0.650 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -18.216 -12.917 1.304 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -17.765 -12.916 -0.390 1.00 0.00 H new ATOM 102 N ALA A 8 -19.381 -8.115 0.746 1.00 0.00 N ATOM 103 CA ALA A 8 -18.804 -6.776 0.731 1.00 0.00 C ATOM 104 C ALA A 8 -18.852 -6.140 2.124 1.00 0.00 C ATOM 105 O ALA A 8 -17.867 -5.553 2.577 1.00 0.00 O ATOM 106 CB ALA A 8 -19.519 -5.900 -0.293 1.00 0.00 C ATOM 0 H ALA A 8 -20.248 -8.204 0.215 1.00 0.00 H new ATOM 0 HA ALA A 8 -17.757 -6.859 0.441 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -19.077 -4.904 -0.292 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -19.416 -6.341 -1.284 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -20.576 -5.828 -0.036 1.00 0.00 H new ATOM 112 N VAL A 9 -19.993 -6.265 2.812 1.00 0.00 N ATOM 113 CA VAL A 9 -20.131 -5.699 4.159 1.00 0.00 C ATOM 114 C VAL A 9 -19.206 -6.421 5.137 1.00 0.00 C ATOM 115 O VAL A 9 -18.790 -5.855 6.154 1.00 0.00 O ATOM 116 CB VAL A 9 -21.591 -5.742 4.697 1.00 0.00 C ATOM 117 CG1 VAL A 9 -22.549 -5.054 3.730 1.00 0.00 C ATOM 118 CG2 VAL A 9 -22.042 -7.171 4.988 1.00 0.00 C ATOM 0 H VAL A 9 -20.823 -6.746 2.465 1.00 0.00 H new ATOM 0 HA VAL A 9 -19.849 -4.649 4.078 1.00 0.00 H new ATOM 0 HB VAL A 9 -21.608 -5.195 5.640 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -23.562 -5.098 4.129 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -22.253 -4.012 3.604 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -22.517 -5.559 2.765 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -23.066 -7.160 5.362 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -21.996 -7.761 4.072 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -21.387 -7.614 5.738 1.00 0.00 H new ATOM 128 N LYS A 10 -18.885 -7.676 4.818 1.00 0.00 N ATOM 129 CA LYS A 10 -17.927 -8.452 5.601 1.00 0.00 C ATOM 130 C LYS A 10 -16.571 -7.745 5.665 1.00 0.00 C ATOM 131 O LYS A 10 -15.880 -7.810 6.681 1.00 0.00 O ATOM 132 CB LYS A 10 -17.758 -9.861 5.012 1.00 0.00 C ATOM 133 CG LYS A 10 -18.903 -10.822 5.327 1.00 0.00 C ATOM 134 CD LYS A 10 -18.956 -11.168 6.815 1.00 0.00 C ATOM 135 CE LYS A 10 -19.968 -12.271 7.113 1.00 0.00 C ATOM 136 NZ LYS A 10 -21.353 -11.877 6.747 1.00 0.00 N ATOM 0 H LYS A 10 -19.277 -8.176 4.020 1.00 0.00 H new ATOM 0 HA LYS A 10 -18.319 -8.540 6.614 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -17.657 -9.779 3.930 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -16.828 -10.289 5.387 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -19.849 -10.373 5.024 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -18.782 -11.736 4.745 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -17.968 -11.484 7.149 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -19.215 -10.276 7.385 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -19.692 -13.172 6.566 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -19.931 -12.519 8.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -21.993 -12.081 7.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -21.379 -10.860 6.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -21.657 -12.415 5.910 1.00 0.00 H new ATOM 150 N TRP A 11 -16.202 -7.060 4.581 1.00 0.00 N ATOM 151 CA TRP A 11 -14.919 -6.355 4.510 1.00 0.00 C ATOM 152 C TRP A 11 -14.818 -5.293 5.604 1.00 0.00 C ATOM 153 O TRP A 11 -13.738 -5.033 6.134 1.00 0.00 O ATOM 154 CB TRP A 11 -14.736 -5.676 3.143 1.00 0.00 C ATOM 155 CG TRP A 11 -14.847 -6.600 1.964 1.00 0.00 C ATOM 156 CD1 TRP A 11 -14.724 -7.959 1.961 1.00 0.00 C ATOM 157 CD2 TRP A 11 -15.092 -6.216 0.605 1.00 0.00 C ATOM 158 NE1 TRP A 11 -14.888 -8.441 0.688 1.00 0.00 N ATOM 159 CE2 TRP A 11 -15.112 -7.393 -0.163 1.00 0.00 C ATOM 160 CE3 TRP A 11 -15.301 -4.991 -0.036 1.00 0.00 C ATOM 161 CZ2 TRP A 11 -15.331 -7.381 -1.537 1.00 0.00 C ATOM 162 CZ3 TRP A 11 -15.517 -4.981 -1.400 1.00 0.00 C ATOM 163 CH2 TRP A 11 -15.531 -6.169 -2.138 1.00 0.00 C ATOM 0 H TRP A 11 -16.773 -6.978 3.740 1.00 0.00 H new ATOM 0 HA TRP A 11 -14.135 -7.099 4.652 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -15.482 -4.888 3.041 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -13.758 -5.195 3.119 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -14.527 -8.565 2.833 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -14.849 -9.424 0.418 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -15.294 -4.069 0.526 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -15.343 -8.297 -2.109 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -15.678 -4.040 -1.905 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -15.703 -6.128 -3.203 1.00 0.00 H new ATOM 174 N GLY A 12 -15.965 -4.710 5.950 1.00 0.00 N ATOM 175 CA GLY A 12 -16.004 -3.565 6.848 1.00 0.00 C ATOM 176 C GLY A 12 -15.539 -3.860 8.266 1.00 0.00 C ATOM 177 O GLY A 12 -15.486 -2.952 9.096 1.00 0.00 O ATOM 0 H GLY A 12 -16.880 -5.016 5.619 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -15.382 -2.772 6.433 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -17.024 -3.183 6.886 1.00 0.00 H new ATOM 181 N GLU A 13 -15.212 -5.117 8.561 1.00 0.00 N ATOM 182 CA GLU A 13 -14.743 -5.484 9.897 1.00 0.00 C ATOM 183 C GLU A 13 -13.218 -5.397 9.983 1.00 0.00 C ATOM 184 O GLU A 13 -12.665 -5.050 11.029 1.00 0.00 O ATOM 185 CB GLU A 13 -15.219 -6.896 10.279 1.00 0.00 C ATOM 186 CG GLU A 13 -14.592 -8.016 9.456 1.00 0.00 C ATOM 187 CD GLU A 13 -15.125 -9.390 9.832 1.00 0.00 C ATOM 188 OE1 GLU A 13 -14.608 -9.991 10.796 1.00 0.00 O ATOM 189 OE2 GLU A 13 -16.066 -9.873 9.164 1.00 0.00 O ATOM 0 H GLU A 13 -15.262 -5.892 7.900 1.00 0.00 H new ATOM 0 HA GLU A 13 -15.170 -4.774 10.605 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -14.998 -7.068 11.332 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -16.302 -6.943 10.169 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -14.782 -7.834 8.398 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -13.511 -8.000 9.593 1.00 0.00 H new ATOM 196 N SER A 14 -12.544 -5.684 8.870 1.00 0.00 N ATOM 197 CA SER A 14 -11.086 -5.745 8.846 1.00 0.00 C ATOM 198 C SER A 14 -10.544 -5.364 7.469 1.00 0.00 C ATOM 199 O SER A 14 -10.891 -5.985 6.460 1.00 0.00 O ATOM 200 CB SER A 14 -10.608 -7.159 9.216 1.00 0.00 C ATOM 201 OG SER A 14 -11.044 -7.535 10.513 1.00 0.00 O ATOM 0 H SER A 14 -12.987 -5.878 7.972 1.00 0.00 H new ATOM 0 HA SER A 14 -10.707 -5.031 9.578 1.00 0.00 H new ATOM 0 HB2 SER A 14 -10.984 -7.874 8.484 1.00 0.00 H new ATOM 0 HB3 SER A 14 -9.520 -7.199 9.172 1.00 0.00 H new ATOM 0 HG SER A 14 -10.725 -8.439 10.716 1.00 0.00 H new ATOM 207 N PHE A 15 -9.674 -4.356 7.443 1.00 0.00 N ATOM 208 CA PHE A 15 -9.011 -3.922 6.214 1.00 0.00 C ATOM 209 C PHE A 15 -8.215 -5.080 5.613 1.00 0.00 C ATOM 210 O PHE A 15 -8.091 -5.203 4.393 1.00 0.00 O ATOM 211 CB PHE A 15 -8.098 -2.720 6.515 1.00 0.00 C ATOM 212 CG PHE A 15 -7.283 -2.232 5.340 1.00 0.00 C ATOM 213 CD1 PHE A 15 -7.865 -2.048 4.094 1.00 0.00 C ATOM 214 CD2 PHE A 15 -5.932 -1.946 5.489 1.00 0.00 C ATOM 215 CE1 PHE A 15 -7.118 -1.593 3.025 1.00 0.00 C ATOM 216 CE2 PHE A 15 -5.183 -1.491 4.423 1.00 0.00 C ATOM 217 CZ PHE A 15 -5.776 -1.315 3.190 1.00 0.00 C ATOM 0 H PHE A 15 -9.409 -3.819 8.269 1.00 0.00 H new ATOM 0 HA PHE A 15 -9.760 -3.612 5.485 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -8.713 -1.897 6.879 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -7.418 -2.992 7.323 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -8.915 -2.263 3.958 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -5.462 -2.081 6.452 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -7.584 -1.455 2.060 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -4.133 -1.273 4.554 1.00 0.00 H new ATOM 0 HZ PHE A 15 -5.191 -0.960 2.355 1.00 0.00 H new ATOM 227 N ASP A 16 -7.695 -5.937 6.489 1.00 0.00 N ATOM 228 CA ASP A 16 -6.995 -7.150 6.071 1.00 0.00 C ATOM 229 C ASP A 16 -7.871 -7.993 5.140 1.00 0.00 C ATOM 230 O ASP A 16 -7.405 -8.485 4.108 1.00 0.00 O ATOM 231 CB ASP A 16 -6.588 -7.979 7.299 1.00 0.00 C ATOM 232 CG ASP A 16 -5.887 -9.276 6.924 1.00 0.00 C ATOM 233 OD1 ASP A 16 -4.713 -9.222 6.505 1.00 0.00 O ATOM 234 OD2 ASP A 16 -6.500 -10.356 7.054 1.00 0.00 O ATOM 0 H ASP A 16 -7.746 -5.812 7.500 1.00 0.00 H new ATOM 0 HA ASP A 16 -6.098 -6.853 5.527 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -5.929 -7.384 7.932 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -7.476 -8.208 7.889 1.00 0.00 H new ATOM 239 N LYS A 17 -9.147 -8.132 5.502 1.00 0.00 N ATOM 240 CA LYS A 17 -10.101 -8.894 4.697 1.00 0.00 C ATOM 241 C LYS A 17 -10.364 -8.183 3.371 1.00 0.00 C ATOM 242 O LYS A 17 -10.416 -8.816 2.311 1.00 0.00 O ATOM 243 CB LYS A 17 -11.422 -9.098 5.456 1.00 0.00 C ATOM 244 CG LYS A 17 -12.514 -9.745 4.607 1.00 0.00 C ATOM 245 CD LYS A 17 -13.807 -9.974 5.385 1.00 0.00 C ATOM 246 CE LYS A 17 -13.630 -10.982 6.514 1.00 0.00 C ATOM 247 NZ LYS A 17 -14.924 -11.315 7.168 1.00 0.00 N ATOM 0 H LYS A 17 -9.544 -7.726 6.349 1.00 0.00 H new ATOM 0 HA LYS A 17 -9.666 -9.873 4.495 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -11.237 -9.719 6.332 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -11.777 -8.133 5.818 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -12.721 -9.111 3.745 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -12.152 -10.699 4.223 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -14.153 -9.026 5.798 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -14.581 -10.327 4.704 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -13.177 -11.892 6.120 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -12.941 -10.579 7.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -14.763 -12.016 7.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -15.336 -10.454 7.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -15.579 -11.708 6.462 1.00 0.00 H new ATOM 261 N LEU A 18 -10.519 -6.862 3.442 1.00 0.00 N ATOM 262 CA LEU A 18 -10.717 -6.035 2.253 1.00 0.00 C ATOM 263 C LEU A 18 -9.590 -6.277 1.249 1.00 0.00 C ATOM 264 O LEU A 18 -9.817 -6.342 0.040 1.00 0.00 O ATOM 265 CB LEU A 18 -10.773 -4.548 2.648 1.00 0.00 C ATOM 266 CG LEU A 18 -10.925 -3.550 1.485 1.00 0.00 C ATOM 267 CD1 LEU A 18 -12.233 -3.780 0.736 1.00 0.00 C ATOM 268 CD2 LEU A 18 -10.843 -2.113 1.990 1.00 0.00 C ATOM 0 H LEU A 18 -10.511 -6.338 4.317 1.00 0.00 H new ATOM 0 HA LEU A 18 -11.663 -6.308 1.786 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -11.607 -4.405 3.335 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -9.863 -4.303 3.196 1.00 0.00 H new ATOM 0 HG LEU A 18 -10.102 -3.717 0.791 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -12.316 -3.062 -0.080 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -12.248 -4.792 0.332 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -13.072 -3.650 1.420 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.953 -1.426 1.151 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -11.640 -1.935 2.712 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -9.877 -1.950 2.468 1.00 0.00 H new ATOM 280 N LEU A 19 -8.380 -6.430 1.774 1.00 0.00 N ATOM 281 CA LEU A 19 -7.199 -6.681 0.955 1.00 0.00 C ATOM 282 C LEU A 19 -7.179 -8.128 0.447 1.00 0.00 C ATOM 283 O LEU A 19 -6.627 -8.415 -0.615 1.00 0.00 O ATOM 284 CB LEU A 19 -5.932 -6.389 1.774 1.00 0.00 C ATOM 285 CG LEU A 19 -4.604 -6.522 1.013 1.00 0.00 C ATOM 286 CD1 LEU A 19 -4.539 -5.521 -0.139 1.00 0.00 C ATOM 287 CD2 LEU A 19 -3.421 -6.338 1.964 1.00 0.00 C ATOM 0 H LEU A 19 -8.190 -6.384 2.775 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.231 -6.021 0.088 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.003 -5.376 2.171 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.910 -7.065 2.629 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.548 -7.525 0.590 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.591 -5.632 -0.665 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.361 -5.708 -0.830 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.619 -4.508 0.255 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.489 -6.435 1.408 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.470 -5.349 2.419 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.459 -7.098 2.744 1.00 0.00 H new ATOM 299 N SER A 20 -7.790 -9.031 1.214 1.00 0.00 N ATOM 300 CA SER A 20 -7.797 -10.456 0.875 1.00 0.00 C ATOM 301 C SER A 20 -8.633 -10.724 -0.378 1.00 0.00 C ATOM 302 O SER A 20 -8.293 -11.588 -1.194 1.00 0.00 O ATOM 303 CB SER A 20 -8.334 -11.280 2.053 1.00 0.00 C ATOM 304 OG SER A 20 -7.573 -11.042 3.226 1.00 0.00 O ATOM 0 H SER A 20 -8.287 -8.802 2.075 1.00 0.00 H new ATOM 0 HA SER A 20 -6.770 -10.756 0.668 1.00 0.00 H new ATOM 0 HB2 SER A 20 -9.378 -11.025 2.234 1.00 0.00 H new ATOM 0 HB3 SER A 20 -8.303 -12.341 1.804 1.00 0.00 H new ATOM 0 HG SER A 20 -7.717 -10.121 3.528 1.00 0.00 H new ATOM 310 N HIS A 21 -9.727 -9.981 -0.529 1.00 0.00 N ATOM 311 CA HIS A 21 -10.602 -10.140 -1.686 1.00 0.00 C ATOM 312 C HIS A 21 -10.097 -9.274 -2.833 1.00 0.00 C ATOM 313 O HIS A 21 -9.988 -8.058 -2.692 1.00 0.00 O ATOM 314 CB HIS A 21 -12.058 -9.774 -1.335 1.00 0.00 C ATOM 315 CG HIS A 21 -13.005 -10.934 -1.426 1.00 0.00 C ATOM 316 ND1 HIS A 21 -13.755 -11.214 -2.550 1.00 0.00 N ATOM 317 CD2 HIS A 21 -13.324 -11.892 -0.523 1.00 0.00 C ATOM 318 CE1 HIS A 21 -14.490 -12.286 -2.333 1.00 0.00 C ATOM 319 NE2 HIS A 21 -14.247 -12.721 -1.110 1.00 0.00 N ATOM 0 H HIS A 21 -10.027 -9.266 0.133 1.00 0.00 H new ATOM 0 HA HIS A 21 -10.587 -11.186 -1.992 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -12.089 -9.369 -0.324 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -12.398 -8.984 -2.005 1.00 0.00 H new ATOM 0 HD1 HIS A 21 -13.742 -10.674 -3.415 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -12.925 -11.986 0.476 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -15.176 -12.734 -3.037 1.00 0.00 H new ATOM 328 N ARG A 22 -9.796 -9.907 -3.965 1.00 0.00 N ATOM 329 CA ARG A 22 -9.297 -9.197 -5.142 1.00 0.00 C ATOM 330 C ARG A 22 -10.299 -8.128 -5.581 1.00 0.00 C ATOM 331 O ARG A 22 -9.928 -7.111 -6.173 1.00 0.00 O ATOM 332 CB ARG A 22 -9.027 -10.183 -6.290 1.00 0.00 C ATOM 333 CG ARG A 22 -10.282 -10.852 -6.846 1.00 0.00 C ATOM 334 CD ARG A 22 -9.947 -11.840 -7.955 1.00 0.00 C ATOM 335 NE ARG A 22 -9.136 -11.225 -9.009 1.00 0.00 N ATOM 336 CZ ARG A 22 -8.481 -11.913 -9.944 1.00 0.00 C ATOM 337 NH1 ARG A 22 -8.601 -13.233 -10.020 1.00 0.00 N ATOM 338 NH2 ARG A 22 -7.715 -11.278 -10.820 1.00 0.00 N ATOM 0 H ARG A 22 -9.889 -10.915 -4.093 1.00 0.00 H new ATOM 0 HA ARG A 22 -8.359 -8.708 -4.880 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -8.522 -9.654 -7.098 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -8.342 -10.955 -5.938 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -10.805 -11.370 -6.042 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -10.961 -10.091 -7.229 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -9.410 -12.690 -7.534 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -10.870 -12.228 -8.387 1.00 0.00 H new ATOM 0 HE ARG A 22 -9.068 -10.207 -9.028 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -9.199 -13.730 -9.359 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -8.096 -13.750 -10.739 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -7.627 -10.263 -10.779 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -7.214 -11.805 -11.535 1.00 0.00 H new ATOM 352 N ASP A 23 -11.572 -8.383 -5.285 1.00 0.00 N ATOM 353 CA ASP A 23 -12.642 -7.417 -5.524 1.00 0.00 C ATOM 354 C ASP A 23 -12.384 -6.161 -4.696 1.00 0.00 C ATOM 355 O ASP A 23 -12.412 -5.040 -5.208 1.00 0.00 O ATOM 356 CB ASP A 23 -14.004 -8.018 -5.133 1.00 0.00 C ATOM 357 CG ASP A 23 -14.243 -9.394 -5.737 1.00 0.00 C ATOM 358 OD1 ASP A 23 -13.598 -10.364 -5.271 1.00 0.00 O ATOM 359 OD2 ASP A 23 -15.075 -9.516 -6.663 1.00 0.00 O ATOM 0 H ASP A 23 -11.890 -9.261 -4.875 1.00 0.00 H new ATOM 0 HA ASP A 23 -12.660 -7.164 -6.584 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -14.065 -8.089 -4.047 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -14.798 -7.344 -5.454 1.00 0.00 H new ATOM 364 N GLY A 24 -12.115 -6.380 -3.407 1.00 0.00 N ATOM 365 CA GLY A 24 -11.836 -5.289 -2.493 1.00 0.00 C ATOM 366 C GLY A 24 -10.574 -4.545 -2.875 1.00 0.00 C ATOM 367 O GLY A 24 -10.551 -3.315 -2.885 1.00 0.00 O ATOM 0 H GLY A 24 -12.086 -7.306 -2.980 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -12.678 -4.597 -2.485 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -11.735 -5.680 -1.480 1.00 0.00 H new ATOM 371 N LEU A 25 -9.532 -5.307 -3.202 1.00 0.00 N ATOM 372 CA LEU A 25 -8.253 -4.758 -3.651 1.00 0.00 C ATOM 373 C LEU A 25 -8.458 -3.713 -4.746 1.00 0.00 C ATOM 374 O LEU A 25 -8.090 -2.547 -4.589 1.00 0.00 O ATOM 375 CB LEU A 25 -7.366 -5.887 -4.196 1.00 0.00 C ATOM 376 CG LEU A 25 -6.063 -5.435 -4.883 1.00 0.00 C ATOM 377 CD1 LEU A 25 -5.001 -5.049 -3.855 1.00 0.00 C ATOM 378 CD2 LEU A 25 -5.556 -6.515 -5.836 1.00 0.00 C ATOM 0 H LEU A 25 -9.551 -6.326 -3.163 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.771 -4.282 -2.797 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -7.110 -6.553 -3.372 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -7.948 -6.471 -4.909 1.00 0.00 H new ATOM 0 HG LEU A 25 -6.279 -4.544 -5.472 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.093 -4.735 -4.370 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.371 -4.229 -3.239 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.779 -5.907 -3.221 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.635 -6.177 -6.312 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.361 -7.431 -5.278 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.309 -6.709 -6.600 1.00 0.00 H new ATOM 390 N GLU A 26 -9.055 -4.151 -5.850 1.00 0.00 N ATOM 391 CA GLU A 26 -9.248 -3.304 -7.021 1.00 0.00 C ATOM 392 C GLU A 26 -10.074 -2.066 -6.668 1.00 0.00 C ATOM 393 O GLU A 26 -9.676 -0.939 -6.963 1.00 0.00 O ATOM 394 CB GLU A 26 -9.928 -4.113 -8.132 1.00 0.00 C ATOM 395 CG GLU A 26 -10.160 -3.335 -9.426 1.00 0.00 C ATOM 396 CD GLU A 26 -8.867 -2.958 -10.137 1.00 0.00 C ATOM 397 OE1 GLU A 26 -8.271 -3.838 -10.795 1.00 0.00 O ATOM 398 OE2 GLU A 26 -8.453 -1.781 -10.068 1.00 0.00 O ATOM 0 H GLU A 26 -9.417 -5.099 -5.958 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.275 -2.962 -7.375 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -9.318 -4.989 -8.353 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -10.887 -4.478 -7.764 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -10.775 -3.934 -10.097 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.722 -2.428 -9.202 1.00 0.00 H new ATOM 405 N ALA A 27 -11.208 -2.283 -6.008 1.00 0.00 N ATOM 406 CA ALA A 27 -12.101 -1.188 -5.627 1.00 0.00 C ATOM 407 C ALA A 27 -11.394 -0.198 -4.698 1.00 0.00 C ATOM 408 O ALA A 27 -11.618 1.015 -4.770 1.00 0.00 O ATOM 409 CB ALA A 27 -13.355 -1.742 -4.960 1.00 0.00 C ATOM 0 H ALA A 27 -11.532 -3.208 -5.725 1.00 0.00 H new ATOM 0 HA ALA A 27 -12.389 -0.652 -6.531 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -14.012 -0.919 -4.681 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -13.875 -2.402 -5.654 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -13.075 -2.302 -4.068 1.00 0.00 H new ATOM 415 N PHE A 28 -10.522 -0.726 -3.843 1.00 0.00 N ATOM 416 CA PHE A 28 -9.825 0.081 -2.846 1.00 0.00 C ATOM 417 C PHE A 28 -8.722 0.909 -3.493 1.00 0.00 C ATOM 418 O PHE A 28 -8.611 2.115 -3.247 1.00 0.00 O ATOM 419 CB PHE A 28 -9.237 -0.810 -1.743 1.00 0.00 C ATOM 420 CG PHE A 28 -8.478 -0.042 -0.688 1.00 0.00 C ATOM 421 CD1 PHE A 28 -9.155 0.640 0.312 1.00 0.00 C ATOM 422 CD2 PHE A 28 -7.089 0.000 -0.701 1.00 0.00 C ATOM 423 CE1 PHE A 28 -8.465 1.348 1.276 1.00 0.00 C ATOM 424 CE2 PHE A 28 -6.397 0.708 0.262 1.00 0.00 C ATOM 425 CZ PHE A 28 -7.084 1.382 1.251 1.00 0.00 C ATOM 0 H PHE A 28 -10.280 -1.717 -3.821 1.00 0.00 H new ATOM 0 HA PHE A 28 -10.550 0.760 -2.398 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -10.045 -1.365 -1.266 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -8.571 -1.544 -2.197 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -10.234 0.617 0.337 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -6.545 -0.526 -1.472 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -9.005 1.875 2.049 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -5.318 0.734 0.241 1.00 0.00 H new ATOM 0 HZ PHE A 28 -6.543 1.935 2.004 1.00 0.00 H new ATOM 435 N THR A 29 -7.927 0.273 -4.350 1.00 0.00 N ATOM 436 CA THR A 29 -6.795 0.946 -4.959 1.00 0.00 C ATOM 437 C THR A 29 -7.330 1.960 -5.950 1.00 0.00 C ATOM 438 O THR A 29 -6.724 2.997 -6.191 1.00 0.00 O ATOM 439 CB THR A 29 -5.818 -0.040 -5.658 1.00 0.00 C ATOM 440 OG1 THR A 29 -4.661 0.663 -6.136 1.00 0.00 O ATOM 441 CG2 THR A 29 -6.485 -0.761 -6.826 1.00 0.00 C ATOM 0 H THR A 29 -8.048 -0.699 -4.633 1.00 0.00 H new ATOM 0 HA THR A 29 -6.217 1.437 -4.176 1.00 0.00 H new ATOM 0 HB THR A 29 -5.522 -0.783 -4.918 1.00 0.00 H new ATOM 0 HG1 THR A 29 -4.052 0.032 -6.573 1.00 0.00 H new ATOM 0 HG21 THR A 29 -5.771 -1.441 -7.289 1.00 0.00 H new ATOM 0 HG22 THR A 29 -7.342 -1.327 -6.462 1.00 0.00 H new ATOM 0 HG23 THR A 29 -6.819 -0.030 -7.562 1.00 0.00 H new ATOM 449 N ARG A 30 -8.511 1.663 -6.481 1.00 0.00 N ATOM 450 CA ARG A 30 -9.184 2.550 -7.408 1.00 0.00 C ATOM 451 C ARG A 30 -9.491 3.881 -6.723 1.00 0.00 C ATOM 452 O ARG A 30 -9.106 4.945 -7.211 1.00 0.00 O ATOM 453 CB ARG A 30 -10.482 1.901 -7.919 1.00 0.00 C ATOM 454 CG ARG A 30 -10.812 2.268 -9.356 1.00 0.00 C ATOM 455 CD ARG A 30 -10.988 3.778 -9.532 1.00 0.00 C ATOM 456 NE ARG A 30 -11.200 4.171 -10.925 1.00 0.00 N ATOM 457 CZ ARG A 30 -11.139 5.435 -11.362 1.00 0.00 C ATOM 458 NH1 ARG A 30 -10.899 6.434 -10.513 1.00 0.00 N ATOM 459 NH2 ARG A 30 -11.321 5.704 -12.647 1.00 0.00 N ATOM 0 H ARG A 30 -9.022 0.804 -6.279 1.00 0.00 H new ATOM 0 HA ARG A 30 -8.530 2.734 -8.260 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -10.394 0.817 -7.839 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -11.309 2.202 -7.275 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -10.016 1.916 -10.013 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -11.726 1.758 -9.661 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -11.836 4.111 -8.933 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -10.105 4.288 -9.147 1.00 0.00 H new ATOM 0 HE ARG A 30 -11.407 3.438 -11.604 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -10.760 6.238 -9.522 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -10.854 7.394 -10.855 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -11.508 4.947 -13.305 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -11.274 6.668 -12.978 1.00 0.00 H new ATOM 473 N PHE A 31 -10.181 3.809 -5.587 1.00 0.00 N ATOM 474 CA PHE A 31 -10.563 5.002 -4.834 1.00 0.00 C ATOM 475 C PHE A 31 -9.328 5.820 -4.457 1.00 0.00 C ATOM 476 O PHE A 31 -9.362 7.049 -4.431 1.00 0.00 O ATOM 477 CB PHE A 31 -11.351 4.609 -3.574 1.00 0.00 C ATOM 478 CG PHE A 31 -11.765 5.787 -2.727 1.00 0.00 C ATOM 479 CD1 PHE A 31 -12.785 6.633 -3.143 1.00 0.00 C ATOM 480 CD2 PHE A 31 -11.126 6.058 -1.524 1.00 0.00 C ATOM 481 CE1 PHE A 31 -13.160 7.719 -2.375 1.00 0.00 C ATOM 482 CE2 PHE A 31 -11.496 7.144 -0.756 1.00 0.00 C ATOM 483 CZ PHE A 31 -12.515 7.975 -1.181 1.00 0.00 C ATOM 0 H PHE A 31 -10.488 2.932 -5.166 1.00 0.00 H new ATOM 0 HA PHE A 31 -11.202 5.618 -5.467 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -12.242 4.055 -3.871 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -10.743 3.935 -2.971 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -13.291 6.440 -4.077 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -10.330 5.411 -1.185 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -13.957 8.367 -2.708 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -10.989 7.344 0.177 1.00 0.00 H new ATOM 0 HZ PHE A 31 -12.807 8.824 -0.580 1.00 0.00 H new ATOM 493 N LEU A 32 -8.234 5.121 -4.197 1.00 0.00 N ATOM 494 CA LEU A 32 -6.986 5.752 -3.787 1.00 0.00 C ATOM 495 C LEU A 32 -6.298 6.432 -4.978 1.00 0.00 C ATOM 496 O LEU A 32 -5.848 7.576 -4.880 1.00 0.00 O ATOM 497 CB LEU A 32 -6.071 4.694 -3.178 1.00 0.00 C ATOM 498 CG LEU A 32 -4.817 5.223 -2.471 1.00 0.00 C ATOM 499 CD1 LEU A 32 -5.194 6.184 -1.344 1.00 0.00 C ATOM 500 CD2 LEU A 32 -3.982 4.062 -1.933 1.00 0.00 C ATOM 0 H LEU A 32 -8.184 4.104 -4.263 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.202 6.521 -3.046 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -6.649 4.109 -2.463 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.759 4.012 -3.969 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.219 5.773 -3.197 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.289 6.546 -0.857 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.747 7.028 -1.755 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.815 5.664 -0.615 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.095 4.452 -1.434 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.575 3.486 -1.222 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.680 3.418 -2.759 1.00 0.00 H new ATOM 512 N LYS A 33 -6.228 5.721 -6.105 1.00 0.00 N ATOM 513 CA LYS A 33 -5.652 6.270 -7.335 1.00 0.00 C ATOM 514 C LYS A 33 -6.448 7.492 -7.784 1.00 0.00 C ATOM 515 O LYS A 33 -5.932 8.372 -8.474 1.00 0.00 O ATOM 516 CB LYS A 33 -5.645 5.219 -8.458 1.00 0.00 C ATOM 517 CG LYS A 33 -4.774 3.997 -8.171 1.00 0.00 C ATOM 518 CD LYS A 33 -4.763 3.026 -9.350 1.00 0.00 C ATOM 519 CE LYS A 33 -3.988 1.750 -9.034 1.00 0.00 C ATOM 520 NZ LYS A 33 -2.589 2.025 -8.616 1.00 0.00 N ATOM 0 H LYS A 33 -6.564 4.762 -6.192 1.00 0.00 H new ATOM 0 HA LYS A 33 -4.623 6.561 -7.126 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.668 4.888 -8.636 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.298 5.690 -9.378 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.755 4.318 -7.954 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.144 3.487 -7.282 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.788 2.770 -9.618 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.319 3.514 -10.217 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.500 1.204 -8.242 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -3.982 1.105 -9.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.969 1.261 -8.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -2.277 2.930 -9.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -2.541 2.077 -7.578 1.00 0.00 H new ATOM 534 N THR A 34 -7.711 7.530 -7.380 1.00 0.00 N ATOM 535 CA THR A 34 -8.596 8.644 -7.676 1.00 0.00 C ATOM 536 C THR A 34 -8.062 9.955 -7.076 1.00 0.00 C ATOM 537 O THR A 34 -8.206 11.028 -7.674 1.00 0.00 O ATOM 538 CB THR A 34 -10.015 8.344 -7.144 1.00 0.00 C ATOM 539 OG1 THR A 34 -10.531 7.160 -7.780 1.00 0.00 O ATOM 540 CG2 THR A 34 -10.962 9.506 -7.382 1.00 0.00 C ATOM 0 H THR A 34 -8.150 6.786 -6.837 1.00 0.00 H new ATOM 0 HA THR A 34 -8.640 8.769 -8.758 1.00 0.00 H new ATOM 0 HB THR A 34 -9.942 8.187 -6.068 1.00 0.00 H new ATOM 0 HG1 THR A 34 -9.922 6.410 -7.618 1.00 0.00 H new ATOM 0 HG21 THR A 34 -11.949 9.256 -6.994 1.00 0.00 H new ATOM 0 HG22 THR A 34 -10.585 10.393 -6.872 1.00 0.00 H new ATOM 0 HG23 THR A 34 -11.032 9.705 -8.451 1.00 0.00 H new ATOM 548 N GLU A 35 -7.435 9.866 -5.899 1.00 0.00 N ATOM 549 CA GLU A 35 -6.821 11.035 -5.262 1.00 0.00 C ATOM 550 C GLU A 35 -5.303 11.021 -5.466 1.00 0.00 C ATOM 551 O GLU A 35 -4.574 11.803 -4.855 1.00 0.00 O ATOM 552 CB GLU A 35 -7.169 11.092 -3.766 1.00 0.00 C ATOM 553 CG GLU A 35 -6.694 9.890 -2.956 1.00 0.00 C ATOM 554 CD GLU A 35 -6.944 10.070 -1.466 1.00 0.00 C ATOM 555 OE1 GLU A 35 -6.085 10.674 -0.787 1.00 0.00 O ATOM 556 OE2 GLU A 35 -8.008 9.633 -0.975 1.00 0.00 O ATOM 0 H GLU A 35 -7.339 8.999 -5.369 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.224 11.931 -5.734 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.733 11.996 -3.340 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -8.250 11.179 -3.661 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.207 8.993 -3.304 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.629 9.735 -3.128 1.00 0.00 H new ATOM 563 N PHE A 36 -4.847 10.106 -6.327 1.00 0.00 N ATOM 564 CA PHE A 36 -3.444 10.021 -6.752 1.00 0.00 C ATOM 565 C PHE A 36 -2.505 9.631 -5.606 1.00 0.00 C ATOM 566 O PHE A 36 -1.284 9.631 -5.771 1.00 0.00 O ATOM 567 CB PHE A 36 -2.985 11.346 -7.388 1.00 0.00 C ATOM 568 CG PHE A 36 -3.800 11.754 -8.593 1.00 0.00 C ATOM 569 CD1 PHE A 36 -3.627 11.116 -9.814 1.00 0.00 C ATOM 570 CD2 PHE A 36 -4.741 12.773 -8.504 1.00 0.00 C ATOM 571 CE1 PHE A 36 -4.373 11.485 -10.916 1.00 0.00 C ATOM 572 CE2 PHE A 36 -5.489 13.143 -9.604 1.00 0.00 C ATOM 573 CZ PHE A 36 -5.306 12.499 -10.813 1.00 0.00 C ATOM 0 H PHE A 36 -5.445 9.398 -6.753 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.391 9.228 -7.498 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.039 12.136 -6.639 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.939 11.255 -7.681 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -2.900 10.322 -9.903 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -4.889 13.282 -7.563 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -4.227 10.980 -11.860 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -6.217 13.936 -9.520 1.00 0.00 H new ATOM 0 HZ PHE A 36 -5.890 12.787 -11.674 1.00 0.00 H new ATOM 583 N SER A 37 -3.065 9.262 -4.460 1.00 0.00 N ATOM 584 CA SER A 37 -2.259 8.892 -3.298 1.00 0.00 C ATOM 585 C SER A 37 -2.029 7.382 -3.289 1.00 0.00 C ATOM 586 O SER A 37 -2.102 6.734 -2.249 1.00 0.00 O ATOM 587 CB SER A 37 -2.960 9.343 -2.007 1.00 0.00 C ATOM 588 OG SER A 37 -2.124 9.171 -0.869 1.00 0.00 O ATOM 0 H SER A 37 -4.072 9.210 -4.308 1.00 0.00 H new ATOM 0 HA SER A 37 -1.292 9.391 -3.356 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.245 10.391 -2.094 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.879 8.773 -1.873 1.00 0.00 H new ATOM 0 HG SER A 37 -1.664 8.307 -0.928 1.00 0.00 H new ATOM 594 N GLU A 38 -1.721 6.836 -4.458 1.00 0.00 N ATOM 595 CA GLU A 38 -1.584 5.392 -4.629 1.00 0.00 C ATOM 596 C GLU A 38 -0.170 4.912 -4.289 1.00 0.00 C ATOM 597 O GLU A 38 0.130 3.721 -4.389 1.00 0.00 O ATOM 598 CB GLU A 38 -1.952 5.012 -6.071 1.00 0.00 C ATOM 599 CG GLU A 38 -1.126 5.732 -7.135 1.00 0.00 C ATOM 600 CD GLU A 38 -1.604 5.435 -8.549 1.00 0.00 C ATOM 601 OE1 GLU A 38 -1.263 4.359 -9.087 1.00 0.00 O ATOM 602 OE2 GLU A 38 -2.333 6.269 -9.127 1.00 0.00 O ATOM 0 H GLU A 38 -1.560 7.375 -5.309 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.265 4.898 -3.936 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.827 3.936 -6.195 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -3.007 5.231 -6.235 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.171 6.807 -6.959 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.081 5.437 -7.039 1.00 0.00 H new ATOM 609 N GLU A 39 0.688 5.836 -3.861 1.00 0.00 N ATOM 610 CA GLU A 39 2.090 5.512 -3.590 1.00 0.00 C ATOM 611 C GLU A 39 2.240 4.517 -2.433 1.00 0.00 C ATOM 612 O GLU A 39 3.161 3.706 -2.431 1.00 0.00 O ATOM 613 CB GLU A 39 2.923 6.790 -3.333 1.00 0.00 C ATOM 614 CG GLU A 39 2.196 7.921 -2.595 1.00 0.00 C ATOM 615 CD GLU A 39 1.664 7.527 -1.225 1.00 0.00 C ATOM 616 OE1 GLU A 39 2.471 7.318 -0.294 1.00 0.00 O ATOM 617 OE2 GLU A 39 0.430 7.435 -1.070 1.00 0.00 O ATOM 0 H GLU A 39 0.440 6.811 -3.695 1.00 0.00 H new ATOM 0 HA GLU A 39 2.481 5.027 -4.485 1.00 0.00 H new ATOM 0 HB2 GLU A 39 3.807 6.515 -2.758 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.272 7.173 -4.292 1.00 0.00 H new ATOM 0 HG2 GLU A 39 2.879 8.763 -2.480 1.00 0.00 H new ATOM 0 HG3 GLU A 39 1.365 8.267 -3.210 1.00 0.00 H new ATOM 624 N ASN A 40 1.326 4.572 -1.467 1.00 0.00 N ATOM 625 CA ASN A 40 1.412 3.723 -0.273 1.00 0.00 C ATOM 626 C ASN A 40 1.161 2.242 -0.601 1.00 0.00 C ATOM 627 O ASN A 40 2.024 1.380 -0.348 1.00 0.00 O ATOM 628 CB ASN A 40 0.439 4.214 0.818 1.00 0.00 C ATOM 629 CG ASN A 40 -0.992 4.358 0.329 1.00 0.00 C ATOM 630 OD1 ASN A 40 -1.769 3.409 0.348 1.00 0.00 O ATOM 631 ND2 ASN A 40 -1.351 5.550 -0.102 1.00 0.00 N ATOM 0 H ASN A 40 0.517 5.193 -1.484 1.00 0.00 H new ATOM 0 HA ASN A 40 2.430 3.802 0.108 1.00 0.00 H new ATOM 0 HB2 ASN A 40 0.461 3.516 1.655 1.00 0.00 H new ATOM 0 HB3 ASN A 40 0.784 5.176 1.196 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -2.302 5.707 -0.434 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -0.678 6.316 -0.103 1.00 0.00 H new ATOM 638 N ILE A 41 -0.004 1.943 -1.172 1.00 0.00 N ATOM 639 CA ILE A 41 -0.373 0.564 -1.471 1.00 0.00 C ATOM 640 C ILE A 41 0.595 -0.040 -2.487 1.00 0.00 C ATOM 641 O ILE A 41 1.114 -1.140 -2.282 1.00 0.00 O ATOM 642 CB ILE A 41 -1.843 0.450 -1.970 1.00 0.00 C ATOM 643 CG1 ILE A 41 -2.228 -1.024 -2.198 1.00 0.00 C ATOM 644 CG2 ILE A 41 -2.063 1.273 -3.238 1.00 0.00 C ATOM 645 CD1 ILE A 41 -3.668 -1.226 -2.625 1.00 0.00 C ATOM 0 H ILE A 41 -0.705 2.635 -1.435 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.304 -0.003 -0.543 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.492 0.857 -1.195 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -1.572 -1.447 -2.959 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.051 -1.582 -1.278 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.099 1.173 -3.562 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -1.846 2.321 -3.033 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.401 0.913 -4.025 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.860 -2.290 -2.765 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.334 -0.835 -1.856 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.847 -0.698 -3.562 1.00 0.00 H new ATOM 657 N GLU A 42 0.875 0.707 -3.554 1.00 0.00 N ATOM 658 CA GLU A 42 1.822 0.267 -4.572 1.00 0.00 C ATOM 659 C GLU A 42 3.226 0.111 -3.986 1.00 0.00 C ATOM 660 O GLU A 42 4.035 -0.653 -4.511 1.00 0.00 O ATOM 661 CB GLU A 42 1.842 1.246 -5.761 1.00 0.00 C ATOM 662 CG GLU A 42 0.896 0.874 -6.902 1.00 0.00 C ATOM 663 CD GLU A 42 -0.565 0.781 -6.484 1.00 0.00 C ATOM 664 OE1 GLU A 42 -1.238 1.828 -6.422 1.00 0.00 O ATOM 665 OE2 GLU A 42 -1.056 -0.345 -6.258 1.00 0.00 O ATOM 0 H GLU A 42 0.458 1.620 -3.734 1.00 0.00 H new ATOM 0 HA GLU A 42 1.493 -0.708 -4.933 1.00 0.00 H new ATOM 0 HB2 GLU A 42 1.583 2.241 -5.400 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.858 1.303 -6.152 1.00 0.00 H new ATOM 0 HG2 GLU A 42 0.991 1.615 -7.696 1.00 0.00 H new ATOM 0 HG3 GLU A 42 1.206 -0.083 -7.321 1.00 0.00 H new ATOM 672 N PHE A 43 3.510 0.827 -2.896 1.00 0.00 N ATOM 673 CA PHE A 43 4.816 0.745 -2.252 1.00 0.00 C ATOM 674 C PHE A 43 5.080 -0.661 -1.729 1.00 0.00 C ATOM 675 O PHE A 43 6.012 -1.330 -2.186 1.00 0.00 O ATOM 676 CB PHE A 43 4.949 1.755 -1.105 1.00 0.00 C ATOM 677 CG PHE A 43 6.235 1.614 -0.324 1.00 0.00 C ATOM 678 CD1 PHE A 43 7.439 2.053 -0.857 1.00 0.00 C ATOM 679 CD2 PHE A 43 6.241 1.033 0.938 1.00 0.00 C ATOM 680 CE1 PHE A 43 8.616 1.918 -0.149 1.00 0.00 C ATOM 681 CE2 PHE A 43 7.417 0.895 1.648 1.00 0.00 C ATOM 682 CZ PHE A 43 8.607 1.339 1.105 1.00 0.00 C ATOM 0 H PHE A 43 2.855 1.466 -2.445 1.00 0.00 H new ATOM 0 HA PHE A 43 5.559 0.989 -3.011 1.00 0.00 H new ATOM 0 HB2 PHE A 43 4.889 2.765 -1.512 1.00 0.00 H new ATOM 0 HB3 PHE A 43 4.105 1.634 -0.425 1.00 0.00 H new ATOM 0 HD1 PHE A 43 7.455 2.506 -1.837 1.00 0.00 H new ATOM 0 HD2 PHE A 43 5.314 0.685 1.369 1.00 0.00 H new ATOM 0 HE1 PHE A 43 9.545 2.265 -0.576 1.00 0.00 H new ATOM 0 HE2 PHE A 43 7.407 0.440 2.627 1.00 0.00 H new ATOM 0 HZ PHE A 43 9.528 1.234 1.659 1.00 0.00 H new ATOM 692 N TRP A 44 4.269 -1.124 -0.774 1.00 0.00 N ATOM 693 CA TRP A 44 4.546 -2.427 -0.163 1.00 0.00 C ATOM 694 C TRP A 44 4.266 -3.573 -1.137 1.00 0.00 C ATOM 695 O TRP A 44 4.782 -4.681 -0.964 1.00 0.00 O ATOM 696 CB TRP A 44 3.837 -2.629 1.195 1.00 0.00 C ATOM 697 CG TRP A 44 2.344 -2.488 1.217 1.00 0.00 C ATOM 698 CD1 TRP A 44 1.638 -1.465 1.780 1.00 0.00 C ATOM 699 CD2 TRP A 44 1.372 -3.409 0.701 1.00 0.00 C ATOM 700 NE1 TRP A 44 0.294 -1.696 1.656 1.00 0.00 N ATOM 701 CE2 TRP A 44 0.103 -2.872 0.984 1.00 0.00 C ATOM 702 CE3 TRP A 44 1.448 -4.631 0.023 1.00 0.00 C ATOM 703 CZ2 TRP A 44 -1.076 -3.513 0.617 1.00 0.00 C ATOM 704 CZ3 TRP A 44 0.277 -5.263 -0.343 1.00 0.00 C ATOM 705 CH2 TRP A 44 -0.970 -4.704 -0.047 1.00 0.00 C ATOM 0 H TRP A 44 3.446 -0.639 -0.417 1.00 0.00 H new ATOM 0 HA TRP A 44 5.613 -2.439 0.061 1.00 0.00 H new ATOM 0 HB2 TRP A 44 4.088 -3.624 1.562 1.00 0.00 H new ATOM 0 HB3 TRP A 44 4.254 -1.913 1.904 1.00 0.00 H new ATOM 0 HD1 TRP A 44 2.076 -0.599 2.254 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -0.446 -1.089 2.008 1.00 0.00 H new ATOM 0 HE3 TRP A 44 2.406 -5.072 -0.210 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -2.040 -3.085 0.848 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 0.325 -6.206 -0.867 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -1.868 -5.223 -0.349 1.00 0.00 H new ATOM 716 N ILE A 45 3.467 -3.302 -2.168 1.00 0.00 N ATOM 717 CA ILE A 45 3.284 -4.253 -3.269 1.00 0.00 C ATOM 718 C ILE A 45 4.588 -4.391 -4.056 1.00 0.00 C ATOM 719 O ILE A 45 5.087 -5.495 -4.279 1.00 0.00 O ATOM 720 CB ILE A 45 2.143 -3.826 -4.234 1.00 0.00 C ATOM 721 CG1 ILE A 45 0.781 -3.877 -3.521 1.00 0.00 C ATOM 722 CG2 ILE A 45 2.125 -4.712 -5.486 1.00 0.00 C ATOM 723 CD1 ILE A 45 -0.388 -3.452 -4.390 1.00 0.00 C ATOM 0 H ILE A 45 2.937 -2.436 -2.266 1.00 0.00 H new ATOM 0 HA ILE A 45 3.005 -5.210 -2.827 1.00 0.00 H new ATOM 0 HB ILE A 45 2.332 -2.799 -4.545 1.00 0.00 H new ATOM 0 HG12 ILE A 45 0.606 -4.893 -3.166 1.00 0.00 H new ATOM 0 HG13 ILE A 45 0.819 -3.234 -2.641 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.318 -4.393 -6.146 1.00 0.00 H new ATOM 0 HG22 ILE A 45 3.077 -4.623 -6.009 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.967 -5.750 -5.195 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -1.311 -3.516 -3.814 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.239 -2.425 -4.724 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -0.455 -4.109 -5.257 1.00 0.00 H new ATOM 735 N ALA A 46 5.151 -3.254 -4.452 1.00 0.00 N ATOM 736 CA ALA A 46 6.412 -3.236 -5.187 1.00 0.00 C ATOM 737 C ALA A 46 7.534 -3.825 -4.338 1.00 0.00 C ATOM 738 O ALA A 46 8.491 -4.398 -4.858 1.00 0.00 O ATOM 739 CB ALA A 46 6.760 -1.814 -5.618 1.00 0.00 C ATOM 0 H ALA A 46 4.754 -2.331 -4.276 1.00 0.00 H new ATOM 0 HA ALA A 46 6.297 -3.849 -6.081 1.00 0.00 H new ATOM 0 HB1 ALA A 46 7.703 -1.820 -6.165 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.970 -1.425 -6.261 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.855 -1.180 -4.737 1.00 0.00 H new ATOM 745 N CYS A 47 7.397 -3.695 -3.023 1.00 0.00 N ATOM 746 CA CYS A 47 8.395 -4.205 -2.096 1.00 0.00 C ATOM 747 C CYS A 47 8.427 -5.733 -2.089 1.00 0.00 C ATOM 748 O CYS A 47 9.485 -6.326 -1.894 1.00 0.00 O ATOM 749 CB CYS A 47 8.145 -3.685 -0.682 1.00 0.00 C ATOM 750 SG CYS A 47 9.301 -4.335 0.549 1.00 0.00 S ATOM 0 H CYS A 47 6.601 -3.239 -2.576 1.00 0.00 H new ATOM 0 HA CYS A 47 9.365 -3.844 -2.439 1.00 0.00 H new ATOM 0 HB2 CYS A 47 8.209 -2.597 -0.688 1.00 0.00 H new ATOM 0 HB3 CYS A 47 7.129 -3.943 -0.384 1.00 0.00 H new ATOM 0 HG CYS A 47 9.848 -5.424 0.098 1.00 0.00 H new ATOM 756 N GLU A 48 7.277 -6.382 -2.285 1.00 0.00 N ATOM 757 CA GLU A 48 7.254 -7.843 -2.362 1.00 0.00 C ATOM 758 C GLU A 48 7.610 -8.304 -3.769 1.00 0.00 C ATOM 759 O GLU A 48 8.121 -9.408 -3.953 1.00 0.00 O ATOM 760 CB GLU A 48 5.914 -8.430 -1.893 1.00 0.00 C ATOM 761 CG GLU A 48 4.682 -7.870 -2.589 1.00 0.00 C ATOM 762 CD GLU A 48 3.398 -8.464 -2.035 1.00 0.00 C ATOM 763 OE1 GLU A 48 3.091 -8.213 -0.848 1.00 0.00 O ATOM 764 OE2 GLU A 48 2.714 -9.211 -2.763 1.00 0.00 O ATOM 0 H GLU A 48 6.368 -5.931 -2.391 1.00 0.00 H new ATOM 0 HA GLU A 48 8.010 -8.224 -1.675 1.00 0.00 H new ATOM 0 HB2 GLU A 48 5.937 -9.510 -2.042 1.00 0.00 H new ATOM 0 HB3 GLU A 48 5.816 -8.258 -0.821 1.00 0.00 H new ATOM 0 HG2 GLU A 48 4.660 -6.786 -2.472 1.00 0.00 H new ATOM 0 HG3 GLU A 48 4.745 -8.074 -3.658 1.00 0.00 H new ATOM 771 N ASP A 49 7.360 -7.445 -4.757 1.00 0.00 N ATOM 772 CA ASP A 49 7.871 -7.663 -6.110 1.00 0.00 C ATOM 773 C ASP A 49 9.399 -7.649 -6.063 1.00 0.00 C ATOM 774 O ASP A 49 10.076 -8.362 -6.804 1.00 0.00 O ATOM 775 CB ASP A 49 7.356 -6.573 -7.063 1.00 0.00 C ATOM 776 CG ASP A 49 7.786 -6.795 -8.509 1.00 0.00 C ATOM 777 OD1 ASP A 49 7.041 -7.464 -9.259 1.00 0.00 O ATOM 778 OD2 ASP A 49 8.857 -6.288 -8.908 1.00 0.00 O ATOM 0 H ASP A 49 6.808 -6.594 -4.646 1.00 0.00 H new ATOM 0 HA ASP A 49 7.521 -8.626 -6.483 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.268 -6.540 -7.014 1.00 0.00 H new ATOM 0 HB3 ASP A 49 7.720 -5.602 -6.726 1.00 0.00 H new ATOM 783 N PHE A 50 9.918 -6.826 -5.157 1.00 0.00 N ATOM 784 CA PHE A 50 11.345 -6.749 -4.874 1.00 0.00 C ATOM 785 C PHE A 50 11.828 -7.997 -4.127 1.00 0.00 C ATOM 786 O PHE A 50 12.731 -8.693 -4.584 1.00 0.00 O ATOM 787 CB PHE A 50 11.630 -5.476 -4.050 1.00 0.00 C ATOM 788 CG PHE A 50 12.903 -5.515 -3.236 1.00 0.00 C ATOM 789 CD1 PHE A 50 14.140 -5.391 -3.844 1.00 0.00 C ATOM 790 CD2 PHE A 50 12.853 -5.669 -1.856 1.00 0.00 C ATOM 791 CE1 PHE A 50 15.301 -5.420 -3.097 1.00 0.00 C ATOM 792 CE2 PHE A 50 14.011 -5.700 -1.105 1.00 0.00 C ATOM 793 CZ PHE A 50 15.236 -5.575 -1.726 1.00 0.00 C ATOM 0 H PHE A 50 9.354 -6.189 -4.594 1.00 0.00 H new ATOM 0 HA PHE A 50 11.891 -6.701 -5.816 1.00 0.00 H new ATOM 0 HB2 PHE A 50 11.676 -4.624 -4.729 1.00 0.00 H new ATOM 0 HB3 PHE A 50 10.791 -5.302 -3.377 1.00 0.00 H new ATOM 0 HD1 PHE A 50 14.198 -5.270 -4.916 1.00 0.00 H new ATOM 0 HD2 PHE A 50 11.896 -5.766 -1.365 1.00 0.00 H new ATOM 0 HE1 PHE A 50 16.260 -5.322 -3.585 1.00 0.00 H new ATOM 0 HE2 PHE A 50 13.958 -5.822 -0.033 1.00 0.00 H new ATOM 0 HZ PHE A 50 16.144 -5.598 -1.141 1.00 0.00 H new ATOM 803 N LYS A 51 11.207 -8.291 -2.986 1.00 0.00 N ATOM 804 CA LYS A 51 11.708 -9.345 -2.105 1.00 0.00 C ATOM 805 C LYS A 51 11.205 -10.738 -2.505 1.00 0.00 C ATOM 806 O LYS A 51 11.363 -11.697 -1.745 1.00 0.00 O ATOM 807 CB LYS A 51 11.375 -9.037 -0.633 1.00 0.00 C ATOM 808 CG LYS A 51 9.888 -8.964 -0.296 1.00 0.00 C ATOM 809 CD LYS A 51 9.677 -8.654 1.188 1.00 0.00 C ATOM 810 CE LYS A 51 8.203 -8.654 1.585 1.00 0.00 C ATOM 811 NZ LYS A 51 7.463 -7.467 1.069 1.00 0.00 N ATOM 0 H LYS A 51 10.366 -7.821 -2.652 1.00 0.00 H new ATOM 0 HA LYS A 51 12.792 -9.361 -2.218 1.00 0.00 H new ATOM 0 HB2 LYS A 51 11.834 -9.802 -0.007 1.00 0.00 H new ATOM 0 HB3 LYS A 51 11.837 -8.087 -0.365 1.00 0.00 H new ATOM 0 HG2 LYS A 51 9.411 -8.195 -0.903 1.00 0.00 H new ATOM 0 HG3 LYS A 51 9.408 -9.910 -0.545 1.00 0.00 H new ATOM 0 HD2 LYS A 51 10.211 -9.390 1.788 1.00 0.00 H new ATOM 0 HD3 LYS A 51 10.111 -7.681 1.417 1.00 0.00 H new ATOM 0 HE2 LYS A 51 7.731 -9.562 1.209 1.00 0.00 H new ATOM 0 HE3 LYS A 51 8.125 -8.680 2.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 6.446 -7.681 1.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 7.623 -6.656 1.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 7.803 -7.234 0.114 1.00 0.00 H new ATOM 825 N LYS A 52 10.601 -10.858 -3.690 1.00 0.00 N ATOM 826 CA LYS A 52 10.310 -12.179 -4.255 1.00 0.00 C ATOM 827 C LYS A 52 11.505 -12.658 -5.079 1.00 0.00 C ATOM 828 O LYS A 52 11.699 -13.860 -5.280 1.00 0.00 O ATOM 829 CB LYS A 52 9.034 -12.171 -5.117 1.00 0.00 C ATOM 830 CG LYS A 52 9.111 -11.277 -6.354 1.00 0.00 C ATOM 831 CD LYS A 52 7.895 -11.453 -7.265 1.00 0.00 C ATOM 832 CE LYS A 52 6.581 -11.202 -6.530 1.00 0.00 C ATOM 833 NZ LYS A 52 5.404 -11.406 -7.414 1.00 0.00 N ATOM 0 H LYS A 52 10.308 -10.071 -4.269 1.00 0.00 H new ATOM 0 HA LYS A 52 10.134 -12.867 -3.428 1.00 0.00 H new ATOM 0 HB2 LYS A 52 8.819 -13.191 -5.434 1.00 0.00 H new ATOM 0 HB3 LYS A 52 8.196 -11.845 -4.500 1.00 0.00 H new ATOM 0 HG2 LYS A 52 9.184 -10.235 -6.044 1.00 0.00 H new ATOM 0 HG3 LYS A 52 10.018 -11.508 -6.912 1.00 0.00 H new ATOM 0 HD2 LYS A 52 7.974 -10.768 -8.109 1.00 0.00 H new ATOM 0 HD3 LYS A 52 7.893 -12.463 -7.674 1.00 0.00 H new ATOM 0 HE2 LYS A 52 6.511 -11.871 -5.672 1.00 0.00 H new ATOM 0 HE3 LYS A 52 6.571 -10.184 -6.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 4.531 -11.226 -6.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 5.457 -10.750 -8.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 5.399 -12.385 -7.765 1.00 0.00 H new ATOM 847 N SER A 53 12.303 -11.703 -5.554 1.00 0.00 N ATOM 848 CA SER A 53 13.536 -12.012 -6.261 1.00 0.00 C ATOM 849 C SER A 53 14.685 -12.094 -5.258 1.00 0.00 C ATOM 850 O SER A 53 14.955 -11.137 -4.533 1.00 0.00 O ATOM 851 CB SER A 53 13.812 -10.955 -7.338 1.00 0.00 C ATOM 852 OG SER A 53 13.707 -9.641 -6.817 1.00 0.00 O ATOM 0 H SER A 53 12.113 -10.705 -5.459 1.00 0.00 H new ATOM 0 HA SER A 53 13.440 -12.975 -6.762 1.00 0.00 H new ATOM 0 HB2 SER A 53 14.810 -11.105 -7.749 1.00 0.00 H new ATOM 0 HB3 SER A 53 13.107 -11.079 -8.160 1.00 0.00 H new ATOM 0 HG SER A 53 13.663 -9.680 -5.839 1.00 0.00 H new ATOM 858 N LYS A 54 15.350 -13.242 -5.221 1.00 0.00 N ATOM 859 CA LYS A 54 16.364 -13.526 -4.200 1.00 0.00 C ATOM 860 C LYS A 54 17.780 -13.315 -4.738 1.00 0.00 C ATOM 861 O LYS A 54 18.762 -13.621 -4.056 1.00 0.00 O ATOM 862 CB LYS A 54 16.182 -14.963 -3.662 1.00 0.00 C ATOM 863 CG LYS A 54 15.967 -16.029 -4.742 1.00 0.00 C ATOM 864 CD LYS A 54 17.241 -16.353 -5.524 1.00 0.00 C ATOM 865 CE LYS A 54 16.958 -17.248 -6.725 1.00 0.00 C ATOM 866 NZ LYS A 54 16.114 -16.565 -7.742 1.00 0.00 N ATOM 0 H LYS A 54 15.207 -13.999 -5.889 1.00 0.00 H new ATOM 0 HA LYS A 54 16.227 -12.823 -3.378 1.00 0.00 H new ATOM 0 HB2 LYS A 54 17.061 -15.231 -3.076 1.00 0.00 H new ATOM 0 HB3 LYS A 54 15.330 -14.977 -2.982 1.00 0.00 H new ATOM 0 HG2 LYS A 54 15.592 -16.940 -4.276 1.00 0.00 H new ATOM 0 HG3 LYS A 54 15.199 -15.686 -5.435 1.00 0.00 H new ATOM 0 HD2 LYS A 54 17.705 -15.427 -5.863 1.00 0.00 H new ATOM 0 HD3 LYS A 54 17.956 -16.845 -4.865 1.00 0.00 H new ATOM 0 HE2 LYS A 54 17.900 -17.552 -7.181 1.00 0.00 H new ATOM 0 HE3 LYS A 54 16.458 -18.157 -6.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 16.180 -17.074 -8.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 15.125 -16.555 -7.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 16.447 -15.588 -7.870 1.00 0.00 H new ATOM 880 N GLY A 55 17.876 -12.800 -5.960 1.00 0.00 N ATOM 881 CA GLY A 55 19.171 -12.541 -6.563 1.00 0.00 C ATOM 882 C GLY A 55 19.922 -11.433 -5.845 1.00 0.00 C ATOM 883 O GLY A 55 19.408 -10.321 -5.732 1.00 0.00 O ATOM 0 H GLY A 55 17.077 -12.557 -6.545 1.00 0.00 H new ATOM 0 HA2 GLY A 55 19.768 -13.453 -6.546 1.00 0.00 H new ATOM 0 HA3 GLY A 55 19.035 -12.268 -7.609 1.00 0.00 H new ATOM 887 N PRO A 56 21.147 -11.701 -5.351 1.00 0.00 N ATOM 888 CA PRO A 56 21.934 -10.712 -4.603 1.00 0.00 C ATOM 889 C PRO A 56 22.104 -9.405 -5.381 1.00 0.00 C ATOM 890 O PRO A 56 21.888 -8.318 -4.842 1.00 0.00 O ATOM 891 CB PRO A 56 23.290 -11.412 -4.375 1.00 0.00 C ATOM 892 CG PRO A 56 23.303 -12.567 -5.322 1.00 0.00 C ATOM 893 CD PRO A 56 21.866 -12.979 -5.488 1.00 0.00 C ATOM 0 HA PRO A 56 21.448 -10.420 -3.672 1.00 0.00 H new ATOM 0 HB2 PRO A 56 24.120 -10.734 -4.571 1.00 0.00 H new ATOM 0 HB3 PRO A 56 23.390 -11.749 -3.343 1.00 0.00 H new ATOM 0 HG2 PRO A 56 23.741 -12.283 -6.279 1.00 0.00 H new ATOM 0 HG3 PRO A 56 23.902 -13.388 -4.928 1.00 0.00 H new ATOM 0 HD2 PRO A 56 21.687 -13.443 -6.458 1.00 0.00 H new ATOM 0 HD3 PRO A 56 21.561 -13.699 -4.729 1.00 0.00 H new ATOM 901 N GLN A 57 22.466 -9.521 -6.658 1.00 0.00 N ATOM 902 CA GLN A 57 22.631 -8.348 -7.518 1.00 0.00 C ATOM 903 C GLN A 57 21.291 -7.641 -7.692 1.00 0.00 C ATOM 904 O GLN A 57 21.205 -6.411 -7.656 1.00 0.00 O ATOM 905 CB GLN A 57 23.183 -8.762 -8.891 1.00 0.00 C ATOM 906 CG GLN A 57 24.518 -9.498 -8.827 1.00 0.00 C ATOM 907 CD GLN A 57 25.635 -8.661 -8.223 1.00 0.00 C ATOM 908 OE1 GLN A 57 25.644 -7.437 -8.339 1.00 0.00 O ATOM 909 NE2 GLN A 57 26.588 -9.324 -7.586 1.00 0.00 N ATOM 0 H GLN A 57 22.650 -10.412 -7.120 1.00 0.00 H new ATOM 0 HA GLN A 57 23.340 -7.667 -7.047 1.00 0.00 H new ATOM 0 HB2 GLN A 57 22.452 -9.400 -9.388 1.00 0.00 H new ATOM 0 HB3 GLN A 57 23.300 -7.871 -9.508 1.00 0.00 H new ATOM 0 HG2 GLN A 57 24.396 -10.408 -8.239 1.00 0.00 H new ATOM 0 HG3 GLN A 57 24.805 -9.804 -9.833 1.00 0.00 H new ATOM 0 HE21 GLN A 57 26.541 -10.340 -7.513 1.00 0.00 H new ATOM 0 HE22 GLN A 57 27.369 -8.818 -7.168 1.00 0.00 H new ATOM 918 N GLN A 58 20.249 -8.451 -7.851 1.00 0.00 N ATOM 919 CA GLN A 58 18.887 -7.967 -8.051 1.00 0.00 C ATOM 920 C GLN A 58 18.449 -7.091 -6.873 1.00 0.00 C ATOM 921 O GLN A 58 17.865 -6.019 -7.058 1.00 0.00 O ATOM 922 CB GLN A 58 17.946 -9.175 -8.211 1.00 0.00 C ATOM 923 CG GLN A 58 16.497 -8.821 -8.519 1.00 0.00 C ATOM 924 CD GLN A 58 16.339 -8.068 -9.827 1.00 0.00 C ATOM 925 OE1 GLN A 58 16.384 -6.843 -9.860 1.00 0.00 O ATOM 926 NE2 GLN A 58 16.156 -8.797 -10.918 1.00 0.00 N ATOM 0 H GLN A 58 20.326 -9.468 -7.845 1.00 0.00 H new ATOM 0 HA GLN A 58 18.846 -7.355 -8.952 1.00 0.00 H new ATOM 0 HB2 GLN A 58 18.327 -9.811 -9.010 1.00 0.00 H new ATOM 0 HB3 GLN A 58 17.974 -9.763 -7.294 1.00 0.00 H new ATOM 0 HG2 GLN A 58 15.905 -9.735 -8.558 1.00 0.00 H new ATOM 0 HG3 GLN A 58 16.095 -8.216 -7.706 1.00 0.00 H new ATOM 0 HE21 GLN A 58 16.124 -9.814 -10.852 1.00 0.00 H new ATOM 0 HE22 GLN A 58 16.047 -8.341 -11.824 1.00 0.00 H new ATOM 935 N ILE A 59 18.768 -7.548 -5.664 1.00 0.00 N ATOM 936 CA ILE A 59 18.387 -6.853 -4.434 1.00 0.00 C ATOM 937 C ILE A 59 18.914 -5.417 -4.406 1.00 0.00 C ATOM 938 O ILE A 59 18.161 -4.478 -4.148 1.00 0.00 O ATOM 939 CB ILE A 59 18.902 -7.613 -3.179 1.00 0.00 C ATOM 940 CG1 ILE A 59 18.242 -9.000 -3.082 1.00 0.00 C ATOM 941 CG2 ILE A 59 18.654 -6.808 -1.900 1.00 0.00 C ATOM 942 CD1 ILE A 59 16.730 -8.954 -2.981 1.00 0.00 C ATOM 0 H ILE A 59 19.296 -8.407 -5.508 1.00 0.00 H new ATOM 0 HA ILE A 59 17.298 -6.824 -4.416 1.00 0.00 H new ATOM 0 HB ILE A 59 19.979 -7.745 -3.285 1.00 0.00 H new ATOM 0 HG12 ILE A 59 18.520 -9.586 -3.958 1.00 0.00 H new ATOM 0 HG13 ILE A 59 18.639 -9.521 -2.211 1.00 0.00 H new ATOM 0 HG21 ILE A 59 19.025 -7.367 -1.041 1.00 0.00 H new ATOM 0 HG22 ILE A 59 19.175 -5.853 -1.965 1.00 0.00 H new ATOM 0 HG23 ILE A 59 17.585 -6.631 -1.783 1.00 0.00 H new ATOM 0 HD11 ILE A 59 16.339 -9.969 -2.916 1.00 0.00 H new ATOM 0 HD12 ILE A 59 16.442 -8.396 -2.090 1.00 0.00 H new ATOM 0 HD13 ILE A 59 16.321 -8.463 -3.864 1.00 0.00 H new ATOM 954 N HIS A 60 20.201 -5.250 -4.691 1.00 0.00 N ATOM 955 CA HIS A 60 20.847 -3.941 -4.568 1.00 0.00 C ATOM 956 C HIS A 60 20.260 -2.930 -5.553 1.00 0.00 C ATOM 957 O HIS A 60 19.808 -1.856 -5.150 1.00 0.00 O ATOM 958 CB HIS A 60 22.365 -4.061 -4.768 1.00 0.00 C ATOM 959 CG HIS A 60 23.071 -4.762 -3.645 1.00 0.00 C ATOM 960 ND1 HIS A 60 23.236 -6.079 -3.386 1.00 0.00 N flip ATOM 961 CD2 HIS A 60 23.707 -4.095 -2.619 1.00 0.00 C flip ATOM 962 CE1 HIS A 60 23.958 -6.184 -2.225 1.00 0.00 C flip ATOM 963 NE2 HIS A 60 24.231 -4.972 -1.784 1.00 0.00 N flip ATOM 0 H HIS A 60 20.818 -5.998 -5.007 1.00 0.00 H new ATOM 0 HA HIS A 60 20.655 -3.576 -3.559 1.00 0.00 H new ATOM 0 HB2 HIS A 60 22.558 -4.597 -5.697 1.00 0.00 H new ATOM 0 HB3 HIS A 60 22.787 -3.063 -4.883 1.00 0.00 H new ATOM 0 HD1 HIS A 60 22.887 -6.853 -3.951 1.00 0.00 H new ATOM 0 HD2 HIS A 60 23.767 -3.022 -2.515 1.00 0.00 H new ATOM 0 HE1 HIS A 60 24.254 -7.108 -1.750 1.00 0.00 H new ATOM 972 N LEU A 61 20.251 -3.280 -6.836 1.00 0.00 N ATOM 973 CA LEU A 61 19.796 -2.358 -7.878 1.00 0.00 C ATOM 974 C LEU A 61 18.308 -2.020 -7.724 1.00 0.00 C ATOM 975 O LEU A 61 17.877 -0.911 -8.056 1.00 0.00 O ATOM 976 CB LEU A 61 20.116 -2.922 -9.279 1.00 0.00 C ATOM 977 CG LEU A 61 19.590 -4.341 -9.590 1.00 0.00 C ATOM 978 CD1 LEU A 61 18.124 -4.314 -10.019 1.00 0.00 C ATOM 979 CD2 LEU A 61 20.449 -5.014 -10.659 1.00 0.00 C ATOM 0 H LEU A 61 20.552 -4.192 -7.181 1.00 0.00 H new ATOM 0 HA LEU A 61 20.342 -1.422 -7.763 1.00 0.00 H new ATOM 0 HB2 LEU A 61 19.709 -2.237 -10.023 1.00 0.00 H new ATOM 0 HB3 LEU A 61 21.199 -2.924 -9.406 1.00 0.00 H new ATOM 0 HG LEU A 61 19.657 -4.925 -8.672 1.00 0.00 H new ATOM 0 HD11 LEU A 61 17.788 -5.329 -10.230 1.00 0.00 H new ATOM 0 HD12 LEU A 61 17.518 -3.890 -9.218 1.00 0.00 H new ATOM 0 HD13 LEU A 61 18.019 -3.703 -10.916 1.00 0.00 H new ATOM 0 HD21 LEU A 61 20.061 -6.012 -10.863 1.00 0.00 H new ATOM 0 HD22 LEU A 61 20.423 -4.421 -11.573 1.00 0.00 H new ATOM 0 HD23 LEU A 61 21.477 -5.090 -10.305 1.00 0.00 H new ATOM 991 N LYS A 62 17.523 -2.972 -7.215 1.00 0.00 N ATOM 992 CA LYS A 62 16.103 -2.732 -6.952 1.00 0.00 C ATOM 993 C LYS A 62 15.930 -1.800 -5.757 1.00 0.00 C ATOM 994 O LYS A 62 15.255 -0.773 -5.854 1.00 0.00 O ATOM 995 CB LYS A 62 15.357 -4.052 -6.696 1.00 0.00 C ATOM 996 CG LYS A 62 14.940 -4.798 -7.959 1.00 0.00 C ATOM 997 CD LYS A 62 13.916 -4.005 -8.771 1.00 0.00 C ATOM 998 CE LYS A 62 13.362 -4.815 -9.937 1.00 0.00 C ATOM 999 NZ LYS A 62 14.431 -5.277 -10.860 1.00 0.00 N ATOM 0 H LYS A 62 17.844 -3.911 -6.978 1.00 0.00 H new ATOM 0 HA LYS A 62 15.676 -2.259 -7.837 1.00 0.00 H new ATOM 0 HB2 LYS A 62 15.993 -4.704 -6.097 1.00 0.00 H new ATOM 0 HB3 LYS A 62 14.467 -3.843 -6.102 1.00 0.00 H new ATOM 0 HG2 LYS A 62 15.819 -4.994 -8.573 1.00 0.00 H new ATOM 0 HG3 LYS A 62 14.519 -5.766 -7.688 1.00 0.00 H new ATOM 0 HD2 LYS A 62 13.097 -3.698 -8.121 1.00 0.00 H new ATOM 0 HD3 LYS A 62 14.380 -3.095 -9.150 1.00 0.00 H new ATOM 0 HE2 LYS A 62 12.819 -5.678 -9.552 1.00 0.00 H new ATOM 0 HE3 LYS A 62 12.645 -4.208 -10.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 14.003 -5.779 -11.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 14.966 -4.457 -11.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 15.074 -5.919 -10.353 1.00 0.00 H new ATOM 1013 N ALA A 63 16.555 -2.157 -4.639 1.00 0.00 N ATOM 1014 CA ALA A 63 16.453 -1.374 -3.409 1.00 0.00 C ATOM 1015 C ALA A 63 16.921 0.061 -3.637 1.00 0.00 C ATOM 1016 O ALA A 63 16.338 1.008 -3.107 1.00 0.00 O ATOM 1017 CB ALA A 63 17.262 -2.031 -2.294 1.00 0.00 C ATOM 0 H ALA A 63 17.141 -2.988 -4.558 1.00 0.00 H new ATOM 0 HA ALA A 63 15.406 -1.344 -3.108 1.00 0.00 H new ATOM 0 HB1 ALA A 63 17.177 -1.437 -1.384 1.00 0.00 H new ATOM 0 HB2 ALA A 63 16.879 -3.035 -2.109 1.00 0.00 H new ATOM 0 HB3 ALA A 63 18.309 -2.091 -2.591 1.00 0.00 H new ATOM 1023 N LYS A 64 17.968 0.214 -4.444 1.00 0.00 N ATOM 1024 CA LYS A 64 18.522 1.528 -4.753 1.00 0.00 C ATOM 1025 C LYS A 64 17.507 2.358 -5.543 1.00 0.00 C ATOM 1026 O LYS A 64 17.335 3.554 -5.292 1.00 0.00 O ATOM 1027 CB LYS A 64 19.829 1.381 -5.548 1.00 0.00 C ATOM 1028 CG LYS A 64 20.632 2.673 -5.676 1.00 0.00 C ATOM 1029 CD LYS A 64 21.123 3.171 -4.317 1.00 0.00 C ATOM 1030 CE LYS A 64 22.019 4.396 -4.452 1.00 0.00 C ATOM 1031 NZ LYS A 64 21.305 5.547 -5.063 1.00 0.00 N ATOM 0 H LYS A 64 18.452 -0.561 -4.898 1.00 0.00 H new ATOM 0 HA LYS A 64 18.741 2.044 -3.818 1.00 0.00 H new ATOM 0 HB2 LYS A 64 20.451 0.626 -5.067 1.00 0.00 H new ATOM 0 HB3 LYS A 64 19.594 1.012 -6.546 1.00 0.00 H new ATOM 0 HG2 LYS A 64 21.486 2.507 -6.333 1.00 0.00 H new ATOM 0 HG3 LYS A 64 20.015 3.440 -6.143 1.00 0.00 H new ATOM 0 HD2 LYS A 64 20.267 3.415 -3.688 1.00 0.00 H new ATOM 0 HD3 LYS A 64 21.671 2.374 -3.814 1.00 0.00 H new ATOM 0 HE2 LYS A 64 22.392 4.682 -3.468 1.00 0.00 H new ATOM 0 HE3 LYS A 64 22.887 4.144 -5.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 21.965 6.341 -5.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 20.927 5.268 -5.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 20.522 5.838 -4.444 1.00 0.00 H new ATOM 1045 N ALA A 65 16.830 1.708 -6.488 1.00 0.00 N ATOM 1046 CA ALA A 65 15.807 2.367 -7.296 1.00 0.00 C ATOM 1047 C ALA A 65 14.628 2.802 -6.425 1.00 0.00 C ATOM 1048 O ALA A 65 14.204 3.960 -6.465 1.00 0.00 O ATOM 1049 CB ALA A 65 15.337 1.441 -8.414 1.00 0.00 C ATOM 0 H ALA A 65 16.972 0.723 -6.713 1.00 0.00 H new ATOM 0 HA ALA A 65 16.244 3.259 -7.746 1.00 0.00 H new ATOM 0 HB1 ALA A 65 14.575 1.945 -9.008 1.00 0.00 H new ATOM 0 HB2 ALA A 65 16.182 1.183 -9.052 1.00 0.00 H new ATOM 0 HB3 ALA A 65 14.918 0.532 -7.982 1.00 0.00 H new ATOM 1055 N ILE A 66 14.116 1.862 -5.631 1.00 0.00 N ATOM 1056 CA ILE A 66 13.008 2.134 -4.715 1.00 0.00 C ATOM 1057 C ILE A 66 13.390 3.247 -3.741 1.00 0.00 C ATOM 1058 O ILE A 66 12.567 4.089 -3.377 1.00 0.00 O ATOM 1059 CB ILE A 66 12.607 0.864 -3.915 1.00 0.00 C ATOM 1060 CG1 ILE A 66 12.190 -0.265 -4.875 1.00 0.00 C ATOM 1061 CG2 ILE A 66 11.484 1.174 -2.921 1.00 0.00 C ATOM 1062 CD1 ILE A 66 11.846 -1.568 -4.181 1.00 0.00 C ATOM 0 H ILE A 66 14.453 0.900 -5.604 1.00 0.00 H new ATOM 0 HA ILE A 66 12.154 2.447 -5.315 1.00 0.00 H new ATOM 0 HB ILE A 66 13.475 0.531 -3.346 1.00 0.00 H new ATOM 0 HG12 ILE A 66 11.328 0.065 -5.455 1.00 0.00 H new ATOM 0 HG13 ILE A 66 13.000 -0.445 -5.582 1.00 0.00 H new ATOM 0 HG21 ILE A 66 11.222 0.268 -2.374 1.00 0.00 H new ATOM 0 HG22 ILE A 66 11.820 1.938 -2.219 1.00 0.00 H new ATOM 0 HG23 ILE A 66 10.610 1.537 -3.461 1.00 0.00 H new ATOM 0 HD11 ILE A 66 11.563 -2.313 -4.925 1.00 0.00 H new ATOM 0 HD12 ILE A 66 12.713 -1.923 -3.624 1.00 0.00 H new ATOM 0 HD13 ILE A 66 11.015 -1.406 -3.495 1.00 0.00 H new ATOM 1074 N TYR A 67 14.655 3.243 -3.339 1.00 0.00 N ATOM 1075 CA TYR A 67 15.192 4.254 -2.440 1.00 0.00 C ATOM 1076 C TYR A 67 14.974 5.654 -3.011 1.00 0.00 C ATOM 1077 O TYR A 67 14.230 6.458 -2.447 1.00 0.00 O ATOM 1078 CB TYR A 67 16.688 3.997 -2.212 1.00 0.00 C ATOM 1079 CG TYR A 67 17.368 4.998 -1.296 1.00 0.00 C ATOM 1080 CD1 TYR A 67 17.201 4.930 0.081 1.00 0.00 C ATOM 1081 CD2 TYR A 67 18.180 6.006 -1.808 1.00 0.00 C ATOM 1082 CE1 TYR A 67 17.823 5.832 0.918 1.00 0.00 C ATOM 1083 CE2 TYR A 67 18.807 6.911 -0.973 1.00 0.00 C ATOM 1084 CZ TYR A 67 18.623 6.822 0.389 1.00 0.00 C ATOM 1085 OH TYR A 67 19.250 7.717 1.228 1.00 0.00 O ATOM 0 H TYR A 67 15.335 2.540 -3.627 1.00 0.00 H new ATOM 0 HA TYR A 67 14.668 4.192 -1.486 1.00 0.00 H new ATOM 0 HB2 TYR A 67 16.812 2.998 -1.793 1.00 0.00 H new ATOM 0 HB3 TYR A 67 17.196 4.004 -3.177 1.00 0.00 H new ATOM 0 HD1 TYR A 67 16.574 4.158 0.503 1.00 0.00 H new ATOM 0 HD2 TYR A 67 18.322 6.082 -2.876 1.00 0.00 H new ATOM 0 HE1 TYR A 67 17.684 5.763 1.987 1.00 0.00 H new ATOM 0 HE2 TYR A 67 19.438 7.684 -1.386 1.00 0.00 H new ATOM 0 HH TYR A 67 19.777 8.350 0.696 1.00 0.00 H new ATOM 1095 N GLU A 68 15.599 5.915 -4.152 1.00 0.00 N ATOM 1096 CA GLU A 68 15.584 7.239 -4.770 1.00 0.00 C ATOM 1097 C GLU A 68 14.178 7.654 -5.203 1.00 0.00 C ATOM 1098 O GLU A 68 13.817 8.829 -5.124 1.00 0.00 O ATOM 1099 CB GLU A 68 16.517 7.247 -5.987 1.00 0.00 C ATOM 1100 CG GLU A 68 17.972 6.932 -5.656 1.00 0.00 C ATOM 1101 CD GLU A 68 18.841 6.802 -6.898 1.00 0.00 C ATOM 1102 OE1 GLU A 68 18.806 7.714 -7.750 1.00 0.00 O ATOM 1103 OE2 GLU A 68 19.570 5.796 -7.020 1.00 0.00 O ATOM 0 H GLU A 68 16.130 5.219 -4.675 1.00 0.00 H new ATOM 0 HA GLU A 68 15.927 7.956 -4.025 1.00 0.00 H new ATOM 0 HB2 GLU A 68 16.155 6.520 -6.714 1.00 0.00 H new ATOM 0 HB3 GLU A 68 16.467 8.226 -6.463 1.00 0.00 H new ATOM 0 HG2 GLU A 68 18.374 7.719 -5.017 1.00 0.00 H new ATOM 0 HG3 GLU A 68 18.018 6.004 -5.086 1.00 0.00 H new ATOM 1110 N LYS A 69 13.388 6.686 -5.656 1.00 0.00 N ATOM 1111 CA LYS A 69 12.106 6.979 -6.294 1.00 0.00 C ATOM 1112 C LYS A 69 10.951 7.022 -5.285 1.00 0.00 C ATOM 1113 O LYS A 69 9.946 7.701 -5.520 1.00 0.00 O ATOM 1114 CB LYS A 69 11.827 5.935 -7.386 1.00 0.00 C ATOM 1115 CG LYS A 69 10.719 6.324 -8.361 1.00 0.00 C ATOM 1116 CD LYS A 69 10.568 5.293 -9.480 1.00 0.00 C ATOM 1117 CE LYS A 69 9.577 5.751 -10.544 1.00 0.00 C ATOM 1118 NZ LYS A 69 9.421 4.749 -11.631 1.00 0.00 N ATOM 0 H LYS A 69 13.611 5.693 -5.594 1.00 0.00 H new ATOM 0 HA LYS A 69 12.173 7.971 -6.740 1.00 0.00 H new ATOM 0 HB2 LYS A 69 12.744 5.761 -7.948 1.00 0.00 H new ATOM 0 HB3 LYS A 69 11.561 4.991 -6.910 1.00 0.00 H new ATOM 0 HG2 LYS A 69 9.776 6.418 -7.823 1.00 0.00 H new ATOM 0 HG3 LYS A 69 10.939 7.301 -8.792 1.00 0.00 H new ATOM 0 HD2 LYS A 69 11.539 5.113 -9.941 1.00 0.00 H new ATOM 0 HD3 LYS A 69 10.235 4.345 -9.058 1.00 0.00 H new ATOM 0 HE2 LYS A 69 8.608 5.936 -10.081 1.00 0.00 H new ATOM 0 HE3 LYS A 69 9.913 6.697 -10.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 8.739 5.101 -12.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 10.340 4.590 -12.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 9.075 3.854 -11.231 1.00 0.00 H new ATOM 1132 N PHE A 70 11.090 6.315 -4.161 1.00 0.00 N ATOM 1133 CA PHE A 70 9.991 6.192 -3.191 1.00 0.00 C ATOM 1134 C PHE A 70 10.421 6.579 -1.776 1.00 0.00 C ATOM 1135 O PHE A 70 9.731 7.349 -1.102 1.00 0.00 O ATOM 1136 CB PHE A 70 9.439 4.758 -3.183 1.00 0.00 C ATOM 1137 CG PHE A 70 8.803 4.338 -4.485 1.00 0.00 C ATOM 1138 CD1 PHE A 70 7.493 4.693 -4.777 1.00 0.00 C ATOM 1139 CD2 PHE A 70 9.513 3.592 -5.414 1.00 0.00 C ATOM 1140 CE1 PHE A 70 6.906 4.311 -5.969 1.00 0.00 C ATOM 1141 CE2 PHE A 70 8.931 3.208 -6.607 1.00 0.00 C ATOM 1142 CZ PHE A 70 7.626 3.568 -6.885 1.00 0.00 C ATOM 0 H PHE A 70 11.943 5.822 -3.898 1.00 0.00 H new ATOM 0 HA PHE A 70 9.212 6.886 -3.507 1.00 0.00 H new ATOM 0 HB2 PHE A 70 10.250 4.069 -2.948 1.00 0.00 H new ATOM 0 HB3 PHE A 70 8.702 4.668 -2.385 1.00 0.00 H new ATOM 0 HD1 PHE A 70 6.926 5.274 -4.065 1.00 0.00 H new ATOM 0 HD2 PHE A 70 10.533 3.308 -5.202 1.00 0.00 H new ATOM 0 HE1 PHE A 70 5.886 4.593 -6.184 1.00 0.00 H new ATOM 0 HE2 PHE A 70 9.495 2.627 -7.321 1.00 0.00 H new ATOM 0 HZ PHE A 70 7.169 3.269 -7.817 1.00 0.00 H new ATOM 1152 N ILE A 71 11.554 6.041 -1.326 1.00 0.00 N ATOM 1153 CA ILE A 71 11.998 6.220 0.060 1.00 0.00 C ATOM 1154 C ILE A 71 12.448 7.656 0.314 1.00 0.00 C ATOM 1155 O ILE A 71 12.186 8.225 1.379 1.00 0.00 O ATOM 1156 CB ILE A 71 13.155 5.245 0.412 1.00 0.00 C ATOM 1157 CG1 ILE A 71 12.700 3.786 0.244 1.00 0.00 C ATOM 1158 CG2 ILE A 71 13.669 5.490 1.831 1.00 0.00 C ATOM 1159 CD1 ILE A 71 11.547 3.393 1.148 1.00 0.00 C ATOM 0 H ILE A 71 12.182 5.478 -1.899 1.00 0.00 H new ATOM 0 HA ILE A 71 11.144 5.998 0.700 1.00 0.00 H new ATOM 0 HB ILE A 71 13.977 5.433 -0.279 1.00 0.00 H new ATOM 0 HG12 ILE A 71 12.407 3.624 -0.793 1.00 0.00 H new ATOM 0 HG13 ILE A 71 13.545 3.127 0.443 1.00 0.00 H new ATOM 0 HG21 ILE A 71 14.478 4.793 2.050 1.00 0.00 H new ATOM 0 HG22 ILE A 71 14.038 6.512 1.913 1.00 0.00 H new ATOM 0 HG23 ILE A 71 12.858 5.339 2.543 1.00 0.00 H new ATOM 0 HD11 ILE A 71 11.284 2.350 0.970 1.00 0.00 H new ATOM 0 HD12 ILE A 71 11.842 3.521 2.190 1.00 0.00 H new ATOM 0 HD13 ILE A 71 10.685 4.026 0.935 1.00 0.00 H new ATOM 1171 N GLN A 72 13.112 8.237 -0.676 1.00 0.00 N ATOM 1172 CA GLN A 72 13.672 9.575 -0.555 1.00 0.00 C ATOM 1173 C GLN A 72 12.573 10.612 -0.293 1.00 0.00 C ATOM 1174 O GLN A 72 11.476 10.523 -0.843 1.00 0.00 O ATOM 1175 CB GLN A 72 14.458 9.931 -1.826 1.00 0.00 C ATOM 1176 CG GLN A 72 15.126 11.295 -1.764 1.00 0.00 C ATOM 1177 CD GLN A 72 16.084 11.419 -0.591 1.00 0.00 C ATOM 1178 OE1 GLN A 72 15.683 11.786 0.514 1.00 0.00 O ATOM 1179 NE2 GLN A 72 17.354 11.136 -0.824 1.00 0.00 N ATOM 0 H GLN A 72 13.277 7.796 -1.581 1.00 0.00 H new ATOM 0 HA GLN A 72 14.351 9.588 0.297 1.00 0.00 H new ATOM 0 HB2 GLN A 72 15.219 9.170 -1.998 1.00 0.00 H new ATOM 0 HB3 GLN A 72 13.782 9.905 -2.681 1.00 0.00 H new ATOM 0 HG2 GLN A 72 15.668 11.473 -2.693 1.00 0.00 H new ATOM 0 HG3 GLN A 72 14.361 12.068 -1.688 1.00 0.00 H new ATOM 0 HE21 GLN A 72 17.647 10.835 -1.753 1.00 0.00 H new ATOM 0 HE22 GLN A 72 18.041 11.219 -0.074 1.00 0.00 H new ATOM 1188 N THR A 73 12.872 11.585 0.562 1.00 0.00 N ATOM 1189 CA THR A 73 11.922 12.639 0.900 1.00 0.00 C ATOM 1190 C THR A 73 11.775 13.628 -0.259 1.00 0.00 C ATOM 1191 O THR A 73 10.690 14.148 -0.521 1.00 0.00 O ATOM 1192 CB THR A 73 12.366 13.370 2.187 1.00 0.00 C ATOM 1193 OG1 THR A 73 12.599 12.403 3.223 1.00 0.00 O ATOM 1194 CG2 THR A 73 11.317 14.372 2.660 1.00 0.00 C ATOM 0 H THR A 73 13.771 11.665 1.036 1.00 0.00 H new ATOM 0 HA THR A 73 10.949 12.181 1.080 1.00 0.00 H new ATOM 0 HB THR A 73 13.280 13.921 1.964 1.00 0.00 H new ATOM 0 HG1 THR A 73 12.883 12.862 4.041 1.00 0.00 H new ATOM 0 HG21 THR A 73 11.667 14.865 3.567 1.00 0.00 H new ATOM 0 HG22 THR A 73 11.150 15.118 1.883 1.00 0.00 H new ATOM 0 HG23 THR A 73 10.383 13.850 2.868 1.00 0.00 H new ATOM 1202 N ASP A 74 12.876 13.867 -0.966 1.00 0.00 N ATOM 1203 CA ASP A 74 12.865 14.708 -2.167 1.00 0.00 C ATOM 1204 C ASP A 74 12.685 13.850 -3.420 1.00 0.00 C ATOM 1205 O ASP A 74 13.103 14.226 -4.517 1.00 0.00 O ATOM 1206 CB ASP A 74 14.147 15.562 -2.256 1.00 0.00 C ATOM 1207 CG ASP A 74 15.413 14.797 -1.897 1.00 0.00 C ATOM 1208 OD1 ASP A 74 15.751 14.750 -0.690 1.00 0.00 O ATOM 1209 OD2 ASP A 74 16.080 14.252 -2.800 1.00 0.00 O ATOM 0 H ASP A 74 13.793 13.489 -0.729 1.00 0.00 H new ATOM 0 HA ASP A 74 12.018 15.391 -2.099 1.00 0.00 H new ATOM 0 HB2 ASP A 74 14.244 15.953 -3.269 1.00 0.00 H new ATOM 0 HB3 ASP A 74 14.049 16.420 -1.591 1.00 0.00 H new ATOM 1214 N ALA A 75 12.025 12.704 -3.247 1.00 0.00 N ATOM 1215 CA ALA A 75 11.705 11.809 -4.358 1.00 0.00 C ATOM 1216 C ALA A 75 10.620 12.426 -5.249 1.00 0.00 C ATOM 1217 O ALA A 75 9.892 13.322 -4.809 1.00 0.00 O ATOM 1218 CB ALA A 75 11.248 10.456 -3.819 1.00 0.00 C ATOM 0 H ALA A 75 11.699 12.372 -2.339 1.00 0.00 H new ATOM 0 HA ALA A 75 12.600 11.663 -4.962 1.00 0.00 H new ATOM 0 HB1 ALA A 75 11.011 9.794 -4.652 1.00 0.00 H new ATOM 0 HB2 ALA A 75 12.045 10.015 -3.220 1.00 0.00 H new ATOM 0 HB3 ALA A 75 10.361 10.592 -3.200 1.00 0.00 H new ATOM 1224 N PRO A 76 10.485 11.949 -6.508 1.00 0.00 N ATOM 1225 CA PRO A 76 9.492 12.477 -7.459 1.00 0.00 C ATOM 1226 C PRO A 76 8.070 12.434 -6.896 1.00 0.00 C ATOM 1227 O PRO A 76 7.258 13.317 -7.169 1.00 0.00 O ATOM 1228 CB PRO A 76 9.627 11.557 -8.689 1.00 0.00 C ATOM 1229 CG PRO A 76 10.395 10.367 -8.211 1.00 0.00 C ATOM 1230 CD PRO A 76 11.286 10.869 -7.110 1.00 0.00 C ATOM 0 HA PRO A 76 9.671 13.527 -7.690 1.00 0.00 H new ATOM 0 HB2 PRO A 76 8.649 11.266 -9.071 1.00 0.00 H new ATOM 0 HB3 PRO A 76 10.150 12.061 -9.502 1.00 0.00 H new ATOM 0 HG2 PRO A 76 9.724 9.589 -7.847 1.00 0.00 H new ATOM 0 HG3 PRO A 76 10.981 9.930 -9.019 1.00 0.00 H new ATOM 0 HD2 PRO A 76 11.517 10.086 -6.388 1.00 0.00 H new ATOM 0 HD3 PRO A 76 12.237 11.237 -7.495 1.00 0.00 H new ATOM 1238 N LYS A 77 7.777 11.401 -6.111 1.00 0.00 N ATOM 1239 CA LYS A 77 6.478 11.272 -5.454 1.00 0.00 C ATOM 1240 C LYS A 77 6.644 11.157 -3.942 1.00 0.00 C ATOM 1241 O LYS A 77 6.009 11.902 -3.189 1.00 0.00 O ATOM 1242 CB LYS A 77 5.703 10.059 -5.998 1.00 0.00 C ATOM 1243 CG LYS A 77 5.079 10.291 -7.375 1.00 0.00 C ATOM 1244 CD LYS A 77 4.205 9.115 -7.815 1.00 0.00 C ATOM 1245 CE LYS A 77 5.029 7.901 -8.231 1.00 0.00 C ATOM 1246 NZ LYS A 77 5.687 8.095 -9.552 1.00 0.00 N ATOM 0 H LYS A 77 8.424 10.638 -5.913 1.00 0.00 H new ATOM 0 HA LYS A 77 5.904 12.173 -5.672 1.00 0.00 H new ATOM 0 HB2 LYS A 77 6.377 9.205 -6.055 1.00 0.00 H new ATOM 0 HB3 LYS A 77 4.915 9.797 -5.292 1.00 0.00 H new ATOM 0 HG2 LYS A 77 4.478 11.200 -7.352 1.00 0.00 H new ATOM 0 HG3 LYS A 77 5.869 10.450 -8.109 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.539 8.836 -6.999 1.00 0.00 H new ATOM 0 HD3 LYS A 77 3.575 9.426 -8.648 1.00 0.00 H new ATOM 0 HE2 LYS A 77 5.788 7.702 -7.474 1.00 0.00 H new ATOM 0 HE3 LYS A 77 4.384 7.023 -8.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 6.166 7.216 -9.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 4.970 8.342 -10.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 6.385 8.863 -9.483 1.00 0.00 H new ATOM 1260 N GLU A 78 7.522 10.245 -3.515 1.00 0.00 N ATOM 1261 CA GLU A 78 7.722 9.938 -2.095 1.00 0.00 C ATOM 1262 C GLU A 78 6.496 9.232 -1.514 1.00 0.00 C ATOM 1263 O GLU A 78 5.355 9.573 -1.832 1.00 0.00 O ATOM 1264 CB GLU A 78 8.038 11.200 -1.266 1.00 0.00 C ATOM 1265 CG GLU A 78 8.066 10.940 0.241 1.00 0.00 C ATOM 1266 CD GLU A 78 8.185 12.201 1.083 1.00 0.00 C ATOM 1267 OE1 GLU A 78 7.560 13.227 0.733 1.00 0.00 O ATOM 1268 OE2 GLU A 78 8.874 12.156 2.124 1.00 0.00 O ATOM 0 H GLU A 78 8.113 9.699 -4.142 1.00 0.00 H new ATOM 0 HA GLU A 78 8.584 9.273 -2.035 1.00 0.00 H new ATOM 0 HB2 GLU A 78 9.003 11.599 -1.577 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.292 11.965 -1.482 1.00 0.00 H new ATOM 0 HG2 GLU A 78 7.157 10.410 0.525 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.904 10.282 0.470 1.00 0.00 H new ATOM 1275 N VAL A 79 6.745 8.239 -0.672 1.00 0.00 N ATOM 1276 CA VAL A 79 5.686 7.536 0.035 1.00 0.00 C ATOM 1277 C VAL A 79 5.506 8.151 1.423 1.00 0.00 C ATOM 1278 O VAL A 79 6.472 8.636 2.019 1.00 0.00 O ATOM 1279 CB VAL A 79 6.008 6.023 0.159 1.00 0.00 C ATOM 1280 CG1 VAL A 79 4.897 5.275 0.898 1.00 0.00 C ATOM 1281 CG2 VAL A 79 6.243 5.415 -1.224 1.00 0.00 C ATOM 0 H VAL A 79 7.683 7.900 -0.461 1.00 0.00 H new ATOM 0 HA VAL A 79 4.761 7.637 -0.533 1.00 0.00 H new ATOM 0 HB VAL A 79 6.921 5.920 0.746 1.00 0.00 H new ATOM 0 HG11 VAL A 79 5.154 4.218 0.968 1.00 0.00 H new ATOM 0 HG12 VAL A 79 4.785 5.688 1.901 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.959 5.385 0.353 1.00 0.00 H new ATOM 0 HG21 VAL A 79 6.468 4.353 -1.121 1.00 0.00 H new ATOM 0 HG22 VAL A 79 5.348 5.539 -1.833 1.00 0.00 H new ATOM 0 HG23 VAL A 79 7.082 5.919 -1.705 1.00 0.00 H new ATOM 1291 N ASN A 80 4.280 8.115 1.941 1.00 0.00 N ATOM 1292 CA ASN A 80 3.956 8.715 3.245 1.00 0.00 C ATOM 1293 C ASN A 80 4.564 7.931 4.420 1.00 0.00 C ATOM 1294 O ASN A 80 4.154 8.106 5.572 1.00 0.00 O ATOM 1295 CB ASN A 80 2.432 8.823 3.414 1.00 0.00 C ATOM 1296 CG ASN A 80 1.815 9.854 2.482 1.00 0.00 C ATOM 1297 OD1 ASN A 80 1.687 11.031 2.833 1.00 0.00 O ATOM 1298 ND2 ASN A 80 1.433 9.427 1.288 1.00 0.00 N ATOM 0 H ASN A 80 3.485 7.674 1.478 1.00 0.00 H new ATOM 0 HA ASN A 80 4.398 9.711 3.259 1.00 0.00 H new ATOM 0 HB2 ASN A 80 1.979 7.850 3.225 1.00 0.00 H new ATOM 0 HB3 ASN A 80 2.202 9.087 4.446 1.00 0.00 H new ATOM 0 HD21 ASN A 80 1.017 10.078 0.623 1.00 0.00 H new ATOM 0 HD22 ASN A 80 1.555 8.447 1.034 1.00 0.00 H new ATOM 1305 N LEU A 81 5.548 7.084 4.124 1.00 0.00 N ATOM 1306 CA LEU A 81 6.269 6.325 5.141 1.00 0.00 C ATOM 1307 C LEU A 81 6.981 7.266 6.121 1.00 0.00 C ATOM 1308 O LEU A 81 7.473 8.328 5.729 1.00 0.00 O ATOM 1309 CB LEU A 81 7.278 5.384 4.459 1.00 0.00 C ATOM 1310 CG LEU A 81 8.247 4.643 5.394 1.00 0.00 C ATOM 1311 CD1 LEU A 81 7.495 3.642 6.260 1.00 0.00 C ATOM 1312 CD2 LEU A 81 9.346 3.946 4.591 1.00 0.00 C ATOM 0 H LEU A 81 5.867 6.905 3.172 1.00 0.00 H new ATOM 0 HA LEU A 81 5.556 5.730 5.712 1.00 0.00 H new ATOM 0 HB2 LEU A 81 6.722 4.644 3.883 1.00 0.00 H new ATOM 0 HB3 LEU A 81 7.864 5.966 3.748 1.00 0.00 H new ATOM 0 HG LEU A 81 8.718 5.376 6.049 1.00 0.00 H new ATOM 0 HD11 LEU A 81 8.198 3.127 6.915 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.754 4.167 6.863 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.993 2.914 5.622 1.00 0.00 H new ATOM 0 HD21 LEU A 81 10.021 3.428 5.272 1.00 0.00 H new ATOM 0 HD22 LEU A 81 8.896 3.226 3.908 1.00 0.00 H new ATOM 0 HD23 LEU A 81 9.905 4.687 4.020 1.00 0.00 H new ATOM 1324 N ASP A 82 7.020 6.860 7.391 1.00 0.00 N ATOM 1325 CA ASP A 82 7.604 7.663 8.469 1.00 0.00 C ATOM 1326 C ASP A 82 9.045 8.064 8.159 1.00 0.00 C ATOM 1327 O ASP A 82 9.816 7.282 7.587 1.00 0.00 O ATOM 1328 CB ASP A 82 7.561 6.883 9.791 1.00 0.00 C ATOM 1329 CG ASP A 82 6.148 6.499 10.199 1.00 0.00 C ATOM 1330 OD1 ASP A 82 5.547 5.628 9.535 1.00 0.00 O ATOM 1331 OD2 ASP A 82 5.630 7.065 11.186 1.00 0.00 O ATOM 0 H ASP A 82 6.647 5.963 7.703 1.00 0.00 H new ATOM 0 HA ASP A 82 7.011 8.573 8.558 1.00 0.00 H new ATOM 0 HB2 ASP A 82 8.165 5.981 9.696 1.00 0.00 H new ATOM 0 HB3 ASP A 82 8.011 7.486 10.579 1.00 0.00 H new ATOM 1336 N PHE A 83 9.407 9.279 8.564 1.00 0.00 N ATOM 1337 CA PHE A 83 10.738 9.822 8.320 1.00 0.00 C ATOM 1338 C PHE A 83 11.805 8.979 9.014 1.00 0.00 C ATOM 1339 O PHE A 83 12.836 8.661 8.425 1.00 0.00 O ATOM 1340 CB PHE A 83 10.817 11.282 8.796 1.00 0.00 C ATOM 1341 CG PHE A 83 12.190 11.897 8.651 1.00 0.00 C ATOM 1342 CD1 PHE A 83 12.663 12.291 7.407 1.00 0.00 C ATOM 1343 CD2 PHE A 83 13.012 12.071 9.759 1.00 0.00 C ATOM 1344 CE1 PHE A 83 13.921 12.848 7.272 1.00 0.00 C ATOM 1345 CE2 PHE A 83 14.270 12.625 9.626 1.00 0.00 C ATOM 1346 CZ PHE A 83 14.725 13.014 8.383 1.00 0.00 C ATOM 0 H PHE A 83 8.787 9.912 9.069 1.00 0.00 H new ATOM 0 HA PHE A 83 10.925 9.793 7.247 1.00 0.00 H new ATOM 0 HB2 PHE A 83 10.101 11.878 8.231 1.00 0.00 H new ATOM 0 HB3 PHE A 83 10.516 11.330 9.843 1.00 0.00 H new ATOM 0 HD1 PHE A 83 12.041 12.161 6.534 1.00 0.00 H new ATOM 0 HD2 PHE A 83 12.662 11.769 10.735 1.00 0.00 H new ATOM 0 HE1 PHE A 83 14.275 13.153 6.298 1.00 0.00 H new ATOM 0 HE2 PHE A 83 14.898 12.754 10.495 1.00 0.00 H new ATOM 0 HZ PHE A 83 15.709 13.448 8.279 1.00 0.00 H new ATOM 1356 N HIS A 84 11.557 8.610 10.264 1.00 0.00 N ATOM 1357 CA HIS A 84 12.522 7.823 11.024 1.00 0.00 C ATOM 1358 C HIS A 84 12.669 6.425 10.428 1.00 0.00 C ATOM 1359 O HIS A 84 13.740 5.821 10.504 1.00 0.00 O ATOM 1360 CB HIS A 84 12.125 7.738 12.501 1.00 0.00 C ATOM 1361 CG HIS A 84 13.054 6.892 13.320 1.00 0.00 C ATOM 1362 ND1 HIS A 84 14.383 7.206 13.526 1.00 0.00 N ATOM 1363 CD2 HIS A 84 12.844 5.723 13.972 1.00 0.00 C ATOM 1364 CE1 HIS A 84 14.944 6.269 14.267 1.00 0.00 C ATOM 1365 NE2 HIS A 84 14.033 5.359 14.549 1.00 0.00 N ATOM 0 H HIS A 84 10.703 8.840 10.771 1.00 0.00 H new ATOM 0 HA HIS A 84 13.486 8.328 10.962 1.00 0.00 H new ATOM 0 HB2 HIS A 84 12.097 8.744 12.920 1.00 0.00 H new ATOM 0 HB3 HIS A 84 11.116 7.333 12.576 1.00 0.00 H new ATOM 0 HD1 HIS A 84 14.857 8.033 13.162 1.00 0.00 H new ATOM 0 HD2 HIS A 84 11.913 5.179 14.027 1.00 0.00 H new ATOM 0 HE1 HIS A 84 15.975 6.251 14.588 1.00 0.00 H new ATOM 1374 N THR A 85 11.597 5.915 9.826 1.00 0.00 N ATOM 1375 CA THR A 85 11.645 4.608 9.184 1.00 0.00 C ATOM 1376 C THR A 85 12.523 4.668 7.930 1.00 0.00 C ATOM 1377 O THR A 85 13.411 3.831 7.743 1.00 0.00 O ATOM 1378 CB THR A 85 10.234 4.100 8.811 1.00 0.00 C ATOM 1379 OG1 THR A 85 9.374 4.165 9.955 1.00 0.00 O ATOM 1380 CG2 THR A 85 10.288 2.660 8.301 1.00 0.00 C ATOM 0 H THR A 85 10.693 6.384 9.770 1.00 0.00 H new ATOM 0 HA THR A 85 12.075 3.907 9.899 1.00 0.00 H new ATOM 0 HB THR A 85 9.843 4.738 8.018 1.00 0.00 H new ATOM 0 HG1 THR A 85 9.423 3.321 10.450 1.00 0.00 H new ATOM 0 HG21 THR A 85 9.282 2.327 8.045 1.00 0.00 H new ATOM 0 HG22 THR A 85 10.922 2.611 7.416 1.00 0.00 H new ATOM 0 HG23 THR A 85 10.698 2.014 9.077 1.00 0.00 H new ATOM 1388 N LYS A 86 12.292 5.678 7.087 1.00 0.00 N ATOM 1389 CA LYS A 86 13.100 5.855 5.882 1.00 0.00 C ATOM 1390 C LYS A 86 14.538 6.197 6.270 1.00 0.00 C ATOM 1391 O LYS A 86 15.477 5.882 5.545 1.00 0.00 O ATOM 1392 CB LYS A 86 12.522 6.946 4.960 1.00 0.00 C ATOM 1393 CG LYS A 86 12.644 8.366 5.508 1.00 0.00 C ATOM 1394 CD LYS A 86 12.360 9.424 4.444 1.00 0.00 C ATOM 1395 CE LYS A 86 10.904 9.426 3.989 1.00 0.00 C ATOM 1396 NZ LYS A 86 10.689 10.382 2.869 1.00 0.00 N ATOM 0 H LYS A 86 11.561 6.377 7.216 1.00 0.00 H new ATOM 0 HA LYS A 86 13.085 4.917 5.327 1.00 0.00 H new ATOM 0 HB2 LYS A 86 13.030 6.897 3.997 1.00 0.00 H new ATOM 0 HB3 LYS A 86 11.469 6.730 4.777 1.00 0.00 H new ATOM 0 HG2 LYS A 86 11.950 8.494 6.338 1.00 0.00 H new ATOM 0 HG3 LYS A 86 13.648 8.514 5.906 1.00 0.00 H new ATOM 0 HD2 LYS A 86 12.614 10.408 4.839 1.00 0.00 H new ATOM 0 HD3 LYS A 86 13.005 9.250 3.583 1.00 0.00 H new ATOM 0 HE2 LYS A 86 10.618 8.423 3.674 1.00 0.00 H new ATOM 0 HE3 LYS A 86 10.259 9.693 4.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 9.746 10.813 2.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 11.414 11.126 2.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 10.756 9.876 1.963 1.00 0.00 H new ATOM 1410 N GLU A 87 14.692 6.831 7.433 1.00 0.00 N ATOM 1411 CA GLU A 87 16.004 7.185 7.971 1.00 0.00 C ATOM 1412 C GLU A 87 16.844 5.924 8.184 1.00 0.00 C ATOM 1413 O GLU A 87 17.998 5.844 7.749 1.00 0.00 O ATOM 1414 CB GLU A 87 15.829 7.950 9.292 1.00 0.00 C ATOM 1415 CG GLU A 87 17.131 8.418 9.931 1.00 0.00 C ATOM 1416 CD GLU A 87 16.899 9.126 11.257 1.00 0.00 C ATOM 1417 OE1 GLU A 87 16.787 8.436 12.295 1.00 0.00 O ATOM 1418 OE2 GLU A 87 16.817 10.372 11.275 1.00 0.00 O ATOM 0 H GLU A 87 13.912 7.113 8.027 1.00 0.00 H new ATOM 0 HA GLU A 87 16.525 7.826 7.260 1.00 0.00 H new ATOM 0 HB2 GLU A 87 15.195 8.818 9.113 1.00 0.00 H new ATOM 0 HB3 GLU A 87 15.301 7.311 10.000 1.00 0.00 H new ATOM 0 HG2 GLU A 87 17.785 7.560 10.089 1.00 0.00 H new ATOM 0 HG3 GLU A 87 17.648 9.091 9.247 1.00 0.00 H new ATOM 1425 N VAL A 88 16.257 4.929 8.841 1.00 0.00 N ATOM 1426 CA VAL A 88 16.924 3.646 9.036 1.00 0.00 C ATOM 1427 C VAL A 88 17.325 3.062 7.679 1.00 0.00 C ATOM 1428 O VAL A 88 18.429 2.536 7.509 1.00 0.00 O ATOM 1429 CB VAL A 88 16.018 2.639 9.794 1.00 0.00 C ATOM 1430 CG1 VAL A 88 16.735 1.303 9.999 1.00 0.00 C ATOM 1431 CG2 VAL A 88 15.564 3.221 11.134 1.00 0.00 C ATOM 0 H VAL A 88 15.323 4.986 9.247 1.00 0.00 H new ATOM 0 HA VAL A 88 17.813 3.818 9.643 1.00 0.00 H new ATOM 0 HB VAL A 88 15.134 2.456 9.184 1.00 0.00 H new ATOM 0 HG11 VAL A 88 16.078 0.616 10.532 1.00 0.00 H new ATOM 0 HG12 VAL A 88 16.996 0.877 9.030 1.00 0.00 H new ATOM 0 HG13 VAL A 88 17.643 1.463 10.581 1.00 0.00 H new ATOM 0 HG21 VAL A 88 14.930 2.499 11.648 1.00 0.00 H new ATOM 0 HG22 VAL A 88 16.436 3.441 11.749 1.00 0.00 H new ATOM 0 HG23 VAL A 88 15.001 4.138 10.960 1.00 0.00 H new ATOM 1441 N ILE A 89 16.426 3.201 6.706 1.00 0.00 N ATOM 1442 CA ILE A 89 16.669 2.722 5.349 1.00 0.00 C ATOM 1443 C ILE A 89 17.840 3.472 4.704 1.00 0.00 C ATOM 1444 O ILE A 89 18.698 2.856 4.072 1.00 0.00 O ATOM 1445 CB ILE A 89 15.401 2.861 4.465 1.00 0.00 C ATOM 1446 CG1 ILE A 89 14.236 2.063 5.079 1.00 0.00 C ATOM 1447 CG2 ILE A 89 15.683 2.399 3.033 1.00 0.00 C ATOM 1448 CD1 ILE A 89 12.927 2.206 4.330 1.00 0.00 C ATOM 0 H ILE A 89 15.517 3.645 6.835 1.00 0.00 H new ATOM 0 HA ILE A 89 16.925 1.665 5.420 1.00 0.00 H new ATOM 0 HB ILE A 89 15.118 3.913 4.427 1.00 0.00 H new ATOM 0 HG12 ILE A 89 14.510 1.008 5.113 1.00 0.00 H new ATOM 0 HG13 ILE A 89 14.090 2.388 6.109 1.00 0.00 H new ATOM 0 HG21 ILE A 89 14.780 2.505 2.432 1.00 0.00 H new ATOM 0 HG22 ILE A 89 16.478 3.008 2.604 1.00 0.00 H new ATOM 0 HG23 ILE A 89 15.992 1.354 3.042 1.00 0.00 H new ATOM 0 HD11 ILE A 89 12.158 1.614 4.826 1.00 0.00 H new ATOM 0 HD12 ILE A 89 12.627 3.254 4.318 1.00 0.00 H new ATOM 0 HD13 ILE A 89 13.053 1.853 3.306 1.00 0.00 H new ATOM 1460 N THR A 90 17.895 4.795 4.891 1.00 0.00 N ATOM 1461 CA THR A 90 18.950 5.610 4.284 1.00 0.00 C ATOM 1462 C THR A 90 20.326 5.200 4.809 1.00 0.00 C ATOM 1463 O THR A 90 21.341 5.388 4.137 1.00 0.00 O ATOM 1464 CB THR A 90 18.731 7.133 4.515 1.00 0.00 C ATOM 1465 OG1 THR A 90 18.696 7.440 5.914 1.00 0.00 O ATOM 1466 CG2 THR A 90 17.435 7.612 3.868 1.00 0.00 C ATOM 0 H THR A 90 17.226 5.320 5.454 1.00 0.00 H new ATOM 0 HA THR A 90 18.904 5.427 3.210 1.00 0.00 H new ATOM 0 HB THR A 90 19.572 7.650 4.052 1.00 0.00 H new ATOM 0 HG1 THR A 90 18.675 6.608 6.431 1.00 0.00 H new ATOM 0 HG21 THR A 90 17.312 8.680 4.048 1.00 0.00 H new ATOM 0 HG22 THR A 90 17.474 7.427 2.795 1.00 0.00 H new ATOM 0 HG23 THR A 90 16.592 7.072 4.299 1.00 0.00 H new ATOM 1474 N ASN A 91 20.355 4.628 6.011 1.00 0.00 N ATOM 1475 CA ASN A 91 21.607 4.165 6.608 1.00 0.00 C ATOM 1476 C ASN A 91 21.890 2.705 6.242 1.00 0.00 C ATOM 1477 O ASN A 91 23.041 2.268 6.248 1.00 0.00 O ATOM 1478 CB ASN A 91 21.580 4.333 8.136 1.00 0.00 C ATOM 1479 CG ASN A 91 21.591 5.795 8.562 1.00 0.00 C ATOM 1480 OD1 ASN A 91 22.652 6.410 8.675 1.00 0.00 O ATOM 1481 ND2 ASN A 91 20.419 6.356 8.821 1.00 0.00 N ATOM 0 H ASN A 91 19.529 4.474 6.589 1.00 0.00 H new ATOM 0 HA ASN A 91 22.411 4.780 6.204 1.00 0.00 H new ATOM 0 HB2 ASN A 91 20.690 3.848 8.536 1.00 0.00 H new ATOM 0 HB3 ASN A 91 22.442 3.825 8.569 1.00 0.00 H new ATOM 0 HD21 ASN A 91 20.375 7.329 9.125 1.00 0.00 H new ATOM 0 HD22 ASN A 91 19.560 5.815 8.716 1.00 0.00 H new ATOM 1488 N SER A 92 20.839 1.960 5.911 1.00 0.00 N ATOM 1489 CA SER A 92 20.964 0.532 5.609 1.00 0.00 C ATOM 1490 C SER A 92 21.023 0.277 4.099 1.00 0.00 C ATOM 1491 O SER A 92 21.320 -0.836 3.668 1.00 0.00 O ATOM 1492 CB SER A 92 19.782 -0.231 6.229 1.00 0.00 C ATOM 1493 OG SER A 92 19.912 -1.635 6.056 1.00 0.00 O ATOM 0 H SER A 92 19.887 2.320 5.844 1.00 0.00 H new ATOM 0 HA SER A 92 21.899 0.174 6.040 1.00 0.00 H new ATOM 0 HB2 SER A 92 19.718 -0.000 7.292 1.00 0.00 H new ATOM 0 HB3 SER A 92 18.852 0.107 5.773 1.00 0.00 H new ATOM 0 HG SER A 92 20.537 -1.818 5.324 1.00 0.00 H new ATOM 1499 N ILE A 93 20.758 1.313 3.303 1.00 0.00 N ATOM 1500 CA ILE A 93 20.669 1.174 1.843 1.00 0.00 C ATOM 1501 C ILE A 93 21.987 0.680 1.231 1.00 0.00 C ATOM 1502 O ILE A 93 21.992 0.054 0.166 1.00 0.00 O ATOM 1503 CB ILE A 93 20.253 2.513 1.171 1.00 0.00 C ATOM 1504 CG1 ILE A 93 20.016 2.325 -0.340 1.00 0.00 C ATOM 1505 CG2 ILE A 93 21.301 3.596 1.419 1.00 0.00 C ATOM 1506 CD1 ILE A 93 18.913 1.340 -0.669 1.00 0.00 C ATOM 0 H ILE A 93 20.600 2.262 3.643 1.00 0.00 H new ATOM 0 HA ILE A 93 19.900 0.426 1.651 1.00 0.00 H new ATOM 0 HB ILE A 93 19.315 2.834 1.624 1.00 0.00 H new ATOM 0 HG12 ILE A 93 19.772 3.291 -0.783 1.00 0.00 H new ATOM 0 HG13 ILE A 93 20.942 1.987 -0.804 1.00 0.00 H new ATOM 0 HG21 ILE A 93 20.987 4.523 0.939 1.00 0.00 H new ATOM 0 HG22 ILE A 93 21.407 3.761 2.491 1.00 0.00 H new ATOM 0 HG23 ILE A 93 22.258 3.278 1.004 1.00 0.00 H new ATOM 0 HD11 ILE A 93 18.806 1.262 -1.751 1.00 0.00 H new ATOM 0 HD12 ILE A 93 19.164 0.362 -0.257 1.00 0.00 H new ATOM 0 HD13 ILE A 93 17.975 1.686 -0.236 1.00 0.00 H new ATOM 1518 N THR A 94 23.100 0.953 1.907 1.00 0.00 N ATOM 1519 CA THR A 94 24.415 0.548 1.413 1.00 0.00 C ATOM 1520 C THR A 94 24.568 -0.976 1.460 1.00 0.00 C ATOM 1521 O THR A 94 25.353 -1.556 0.706 1.00 0.00 O ATOM 1522 CB THR A 94 25.558 1.223 2.217 1.00 0.00 C ATOM 1523 OG1 THR A 94 26.832 0.909 1.630 1.00 0.00 O ATOM 1524 CG2 THR A 94 25.544 0.790 3.679 1.00 0.00 C ATOM 0 H THR A 94 23.119 1.452 2.797 1.00 0.00 H new ATOM 0 HA THR A 94 24.489 0.878 0.377 1.00 0.00 H new ATOM 0 HB THR A 94 25.396 2.300 2.180 1.00 0.00 H new ATOM 0 HG1 THR A 94 27.545 1.342 2.145 1.00 0.00 H new ATOM 0 HG21 THR A 94 26.358 1.282 4.212 1.00 0.00 H new ATOM 0 HG22 THR A 94 24.593 1.069 4.132 1.00 0.00 H new ATOM 0 HG23 THR A 94 25.672 -0.291 3.740 1.00 0.00 H new ATOM 1532 N GLN A 95 23.802 -1.618 2.343 1.00 0.00 N ATOM 1533 CA GLN A 95 23.826 -3.072 2.498 1.00 0.00 C ATOM 1534 C GLN A 95 22.420 -3.585 2.825 1.00 0.00 C ATOM 1535 O GLN A 95 22.111 -3.888 3.979 1.00 0.00 O ATOM 1536 CB GLN A 95 24.820 -3.487 3.601 1.00 0.00 C ATOM 1537 CG GLN A 95 26.269 -3.105 3.307 1.00 0.00 C ATOM 1538 CD GLN A 95 27.226 -3.474 4.425 1.00 0.00 C ATOM 1539 OE1 GLN A 95 26.854 -3.500 5.601 1.00 0.00 O ATOM 1540 NE2 GLN A 95 28.472 -3.749 4.071 1.00 0.00 N ATOM 0 H GLN A 95 23.149 -1.146 2.969 1.00 0.00 H new ATOM 0 HA GLN A 95 24.156 -3.517 1.559 1.00 0.00 H new ATOM 0 HB2 GLN A 95 24.517 -3.026 4.541 1.00 0.00 H new ATOM 0 HB3 GLN A 95 24.761 -4.566 3.742 1.00 0.00 H new ATOM 0 HG2 GLN A 95 26.588 -3.597 2.388 1.00 0.00 H new ATOM 0 HG3 GLN A 95 26.325 -2.031 3.130 1.00 0.00 H new ATOM 0 HE21 GLN A 95 28.742 -3.717 3.088 1.00 0.00 H new ATOM 0 HE22 GLN A 95 29.162 -3.993 4.781 1.00 0.00 H new ATOM 1549 N PRO A 96 21.535 -3.646 1.813 1.00 0.00 N ATOM 1550 CA PRO A 96 20.150 -4.079 2.000 1.00 0.00 C ATOM 1551 C PRO A 96 20.009 -5.604 2.007 1.00 0.00 C ATOM 1552 O PRO A 96 20.825 -6.320 1.414 1.00 0.00 O ATOM 1553 CB PRO A 96 19.441 -3.471 0.787 1.00 0.00 C ATOM 1554 CG PRO A 96 20.479 -3.466 -0.287 1.00 0.00 C ATOM 1555 CD PRO A 96 21.811 -3.286 0.407 1.00 0.00 C ATOM 0 HA PRO A 96 19.740 -3.762 2.959 1.00 0.00 H new ATOM 0 HB2 PRO A 96 18.572 -4.062 0.497 1.00 0.00 H new ATOM 0 HB3 PRO A 96 19.084 -2.463 0.999 1.00 0.00 H new ATOM 0 HG2 PRO A 96 20.458 -4.398 -0.852 1.00 0.00 H new ATOM 0 HG3 PRO A 96 20.299 -2.659 -0.997 1.00 0.00 H new ATOM 0 HD2 PRO A 96 22.577 -3.929 -0.026 1.00 0.00 H new ATOM 0 HD3 PRO A 96 22.170 -2.260 0.321 1.00 0.00 H new ATOM 1563 N THR A 97 18.976 -6.089 2.689 1.00 0.00 N ATOM 1564 CA THR A 97 18.667 -7.513 2.736 1.00 0.00 C ATOM 1565 C THR A 97 17.368 -7.798 1.978 1.00 0.00 C ATOM 1566 O THR A 97 16.684 -6.869 1.540 1.00 0.00 O ATOM 1567 CB THR A 97 18.538 -7.997 4.200 1.00 0.00 C ATOM 1568 OG1 THR A 97 17.560 -7.208 4.892 1.00 0.00 O ATOM 1569 CG2 THR A 97 19.876 -7.904 4.929 1.00 0.00 C ATOM 0 H THR A 97 18.331 -5.507 3.223 1.00 0.00 H new ATOM 0 HA THR A 97 19.484 -8.055 2.261 1.00 0.00 H new ATOM 0 HB THR A 97 18.224 -9.041 4.184 1.00 0.00 H new ATOM 0 HG1 THR A 97 17.482 -7.521 5.817 1.00 0.00 H new ATOM 0 HG21 THR A 97 19.756 -8.250 5.955 1.00 0.00 H new ATOM 0 HG22 THR A 97 20.612 -8.526 4.420 1.00 0.00 H new ATOM 0 HG23 THR A 97 20.217 -6.869 4.933 1.00 0.00 H new ATOM 1577 N LEU A 98 17.030 -9.078 1.837 1.00 0.00 N ATOM 1578 CA LEU A 98 15.833 -9.497 1.103 1.00 0.00 C ATOM 1579 C LEU A 98 14.574 -8.869 1.699 1.00 0.00 C ATOM 1580 O LEU A 98 13.829 -8.162 1.022 1.00 0.00 O ATOM 1581 CB LEU A 98 15.700 -11.029 1.143 1.00 0.00 C ATOM 1582 CG LEU A 98 14.590 -11.627 0.259 1.00 0.00 C ATOM 1583 CD1 LEU A 98 14.874 -11.377 -1.219 1.00 0.00 C ATOM 1584 CD2 LEU A 98 14.431 -13.123 0.531 1.00 0.00 C ATOM 0 H LEU A 98 17.572 -9.850 2.224 1.00 0.00 H new ATOM 0 HA LEU A 98 15.938 -9.161 0.072 1.00 0.00 H new ATOM 0 HB2 LEU A 98 16.653 -11.466 0.843 1.00 0.00 H new ATOM 0 HB3 LEU A 98 15.521 -11.333 2.174 1.00 0.00 H new ATOM 0 HG LEU A 98 13.654 -11.130 0.512 1.00 0.00 H new ATOM 0 HD11 LEU A 98 14.075 -11.809 -1.821 1.00 0.00 H new ATOM 0 HD12 LEU A 98 14.927 -10.304 -1.403 1.00 0.00 H new ATOM 0 HD13 LEU A 98 15.823 -11.839 -1.490 1.00 0.00 H new ATOM 0 HD21 LEU A 98 13.642 -13.526 -0.104 1.00 0.00 H new ATOM 0 HD22 LEU A 98 15.369 -13.634 0.313 1.00 0.00 H new ATOM 0 HD23 LEU A 98 14.169 -13.277 1.578 1.00 0.00 H new ATOM 1596 N HIS A 99 14.356 -9.119 2.985 1.00 0.00 N ATOM 1597 CA HIS A 99 13.110 -8.736 3.651 1.00 0.00 C ATOM 1598 C HIS A 99 13.253 -7.392 4.369 1.00 0.00 C ATOM 1599 O HIS A 99 12.375 -7.002 5.133 1.00 0.00 O ATOM 1600 CB HIS A 99 12.706 -9.839 4.649 1.00 0.00 C ATOM 1601 CG HIS A 99 11.253 -10.188 4.605 1.00 0.00 C ATOM 1602 ND1 HIS A 99 10.313 -9.617 5.430 1.00 0.00 N ATOM 1603 CD2 HIS A 99 10.580 -11.053 3.813 1.00 0.00 C ATOM 1604 CE1 HIS A 99 9.122 -10.113 5.144 1.00 0.00 C ATOM 1605 NE2 HIS A 99 9.256 -10.987 4.166 1.00 0.00 N ATOM 0 H HIS A 99 15.028 -9.588 3.593 1.00 0.00 H new ATOM 0 HA HIS A 99 12.332 -8.623 2.896 1.00 0.00 H new ATOM 0 HB2 HIS A 99 13.292 -10.735 4.443 1.00 0.00 H new ATOM 0 HB3 HIS A 99 12.962 -9.515 5.658 1.00 0.00 H new ATOM 0 HD2 HIS A 99 11.006 -11.680 3.044 1.00 0.00 H new ATOM 0 HE1 HIS A 99 8.195 -9.847 5.630 1.00 0.00 H new ATOM 0 HE2 HIS A 99 8.500 -11.525 3.742 1.00 0.00 H new ATOM 1614 N SER A 100 14.337 -6.679 4.073 1.00 0.00 N ATOM 1615 CA SER A 100 14.715 -5.450 4.785 1.00 0.00 C ATOM 1616 C SER A 100 13.531 -4.501 5.030 1.00 0.00 C ATOM 1617 O SER A 100 13.331 -4.017 6.149 1.00 0.00 O ATOM 1618 CB SER A 100 15.805 -4.726 3.984 1.00 0.00 C ATOM 1619 OG SER A 100 15.416 -4.575 2.627 1.00 0.00 O ATOM 0 H SER A 100 14.985 -6.935 3.328 1.00 0.00 H new ATOM 0 HA SER A 100 15.083 -5.744 5.768 1.00 0.00 H new ATOM 0 HB2 SER A 100 15.996 -3.747 4.423 1.00 0.00 H new ATOM 0 HB3 SER A 100 16.737 -5.288 4.040 1.00 0.00 H new ATOM 0 HG SER A 100 15.786 -5.311 2.097 1.00 0.00 H new ATOM 1625 N PHE A 101 12.740 -4.259 3.989 1.00 0.00 N ATOM 1626 CA PHE A 101 11.683 -3.244 4.033 1.00 0.00 C ATOM 1627 C PHE A 101 10.420 -3.716 4.767 1.00 0.00 C ATOM 1628 O PHE A 101 9.391 -3.037 4.708 1.00 0.00 O ATOM 1629 CB PHE A 101 11.308 -2.809 2.607 1.00 0.00 C ATOM 1630 CG PHE A 101 12.434 -2.147 1.847 1.00 0.00 C ATOM 1631 CD1 PHE A 101 12.674 -0.785 1.977 1.00 0.00 C ATOM 1632 CD2 PHE A 101 13.250 -2.885 1.000 1.00 0.00 C ATOM 1633 CE1 PHE A 101 13.701 -0.176 1.280 1.00 0.00 C ATOM 1634 CE2 PHE A 101 14.278 -2.279 0.301 1.00 0.00 C ATOM 1635 CZ PHE A 101 14.503 -0.924 0.441 1.00 0.00 C ATOM 0 H PHE A 101 12.809 -4.753 3.099 1.00 0.00 H new ATOM 0 HA PHE A 101 12.089 -2.403 4.596 1.00 0.00 H new ATOM 0 HB2 PHE A 101 10.972 -3.683 2.049 1.00 0.00 H new ATOM 0 HB3 PHE A 101 10.465 -2.120 2.659 1.00 0.00 H new ATOM 0 HD1 PHE A 101 12.050 -0.194 2.631 1.00 0.00 H new ATOM 0 HD2 PHE A 101 13.080 -3.945 0.886 1.00 0.00 H new ATOM 0 HE1 PHE A 101 13.876 0.884 1.392 1.00 0.00 H new ATOM 0 HE2 PHE A 101 14.905 -2.866 -0.354 1.00 0.00 H new ATOM 0 HZ PHE A 101 15.305 -0.450 -0.105 1.00 0.00 H new ATOM 1645 N ASP A 102 10.486 -4.849 5.472 1.00 0.00 N ATOM 1646 CA ASP A 102 9.300 -5.383 6.162 1.00 0.00 C ATOM 1647 C ASP A 102 8.765 -4.398 7.204 1.00 0.00 C ATOM 1648 O ASP A 102 7.550 -4.243 7.354 1.00 0.00 O ATOM 1649 CB ASP A 102 9.557 -6.766 6.799 1.00 0.00 C ATOM 1650 CG ASP A 102 10.826 -6.863 7.641 1.00 0.00 C ATOM 1651 OD1 ASP A 102 11.180 -5.892 8.338 1.00 0.00 O ATOM 1652 OD2 ASP A 102 11.477 -7.930 7.600 1.00 0.00 O ATOM 0 H ASP A 102 11.331 -5.409 5.582 1.00 0.00 H new ATOM 0 HA ASP A 102 8.537 -5.519 5.396 1.00 0.00 H new ATOM 0 HB2 ASP A 102 8.703 -7.025 7.425 1.00 0.00 H new ATOM 0 HB3 ASP A 102 9.608 -7.511 6.005 1.00 0.00 H new ATOM 1657 N ALA A 103 9.671 -3.726 7.905 1.00 0.00 N ATOM 1658 CA ALA A 103 9.289 -2.696 8.868 1.00 0.00 C ATOM 1659 C ALA A 103 8.517 -1.576 8.171 1.00 0.00 C ATOM 1660 O ALA A 103 7.535 -1.049 8.703 1.00 0.00 O ATOM 1661 CB ALA A 103 10.526 -2.141 9.569 1.00 0.00 C ATOM 0 H ALA A 103 10.677 -3.875 7.825 1.00 0.00 H new ATOM 0 HA ALA A 103 8.639 -3.144 9.620 1.00 0.00 H new ATOM 0 HB1 ALA A 103 10.226 -1.375 10.284 1.00 0.00 H new ATOM 0 HB2 ALA A 103 11.038 -2.947 10.095 1.00 0.00 H new ATOM 0 HB3 ALA A 103 11.198 -1.705 8.830 1.00 0.00 H new ATOM 1667 N ALA A 104 8.958 -1.242 6.960 1.00 0.00 N ATOM 1668 CA ALA A 104 8.332 -0.188 6.172 1.00 0.00 C ATOM 1669 C ALA A 104 6.928 -0.600 5.733 1.00 0.00 C ATOM 1670 O ALA A 104 6.018 0.228 5.689 1.00 0.00 O ATOM 1671 CB ALA A 104 9.194 0.150 4.960 1.00 0.00 C ATOM 0 H ALA A 104 9.752 -1.691 6.503 1.00 0.00 H new ATOM 0 HA ALA A 104 8.245 0.701 6.796 1.00 0.00 H new ATOM 0 HB1 ALA A 104 8.714 0.939 4.381 1.00 0.00 H new ATOM 0 HB2 ALA A 104 10.174 0.490 5.294 1.00 0.00 H new ATOM 0 HB3 ALA A 104 9.311 -0.737 4.338 1.00 0.00 H new ATOM 1677 N GLN A 105 6.760 -1.890 5.427 1.00 0.00 N ATOM 1678 CA GLN A 105 5.463 -2.420 4.995 1.00 0.00 C ATOM 1679 C GLN A 105 4.410 -2.123 6.058 1.00 0.00 C ATOM 1680 O GLN A 105 3.335 -1.596 5.765 1.00 0.00 O ATOM 1681 CB GLN A 105 5.533 -3.942 4.766 1.00 0.00 C ATOM 1682 CG GLN A 105 6.734 -4.409 3.950 1.00 0.00 C ATOM 1683 CD GLN A 105 6.791 -3.818 2.561 1.00 0.00 C ATOM 1684 OE1 GLN A 105 6.278 -4.402 1.608 1.00 0.00 O ATOM 1685 NE2 GLN A 105 7.423 -2.660 2.430 1.00 0.00 N ATOM 0 H GLN A 105 7.505 -2.586 5.470 1.00 0.00 H new ATOM 0 HA GLN A 105 5.195 -1.938 4.055 1.00 0.00 H new ATOM 0 HB2 GLN A 105 5.553 -4.441 5.735 1.00 0.00 H new ATOM 0 HB3 GLN A 105 4.621 -4.262 4.261 1.00 0.00 H new ATOM 0 HG2 GLN A 105 7.648 -4.149 4.484 1.00 0.00 H new ATOM 0 HG3 GLN A 105 6.709 -5.496 3.872 1.00 0.00 H new ATOM 0 HE21 GLN A 105 7.835 -2.209 3.247 1.00 0.00 H new ATOM 0 HE22 GLN A 105 7.497 -2.221 1.513 1.00 0.00 H new ATOM 1694 N SER A 106 4.756 -2.450 7.300 1.00 0.00 N ATOM 1695 CA SER A 106 3.869 -2.258 8.440 1.00 0.00 C ATOM 1696 C SER A 106 3.483 -0.785 8.590 1.00 0.00 C ATOM 1697 O SER A 106 2.302 -0.452 8.713 1.00 0.00 O ATOM 1698 CB SER A 106 4.555 -2.765 9.718 1.00 0.00 C ATOM 1699 OG SER A 106 3.723 -2.614 10.855 1.00 0.00 O ATOM 0 H SER A 106 5.660 -2.856 7.543 1.00 0.00 H new ATOM 0 HA SER A 106 2.955 -2.828 8.272 1.00 0.00 H new ATOM 0 HB2 SER A 106 4.819 -3.816 9.597 1.00 0.00 H new ATOM 0 HB3 SER A 106 5.485 -2.219 9.873 1.00 0.00 H new ATOM 0 HG SER A 106 4.190 -2.948 11.649 1.00 0.00 H new ATOM 1705 N ARG A 107 4.487 0.091 8.556 1.00 0.00 N ATOM 1706 CA ARG A 107 4.270 1.526 8.741 1.00 0.00 C ATOM 1707 C ARG A 107 3.323 2.083 7.682 1.00 0.00 C ATOM 1708 O ARG A 107 2.371 2.800 8.000 1.00 0.00 O ATOM 1709 CB ARG A 107 5.603 2.281 8.707 1.00 0.00 C ATOM 1710 CG ARG A 107 6.572 1.884 9.817 1.00 0.00 C ATOM 1711 CD ARG A 107 5.956 2.055 11.202 1.00 0.00 C ATOM 1712 NE ARG A 107 5.485 3.422 11.436 1.00 0.00 N ATOM 1713 CZ ARG A 107 4.831 3.816 12.532 1.00 0.00 C ATOM 1714 NH1 ARG A 107 4.560 2.951 13.504 1.00 0.00 N ATOM 1715 NH2 ARG A 107 4.448 5.078 12.657 1.00 0.00 N ATOM 0 H ARG A 107 5.461 -0.169 8.402 1.00 0.00 H new ATOM 0 HA ARG A 107 3.809 1.669 9.718 1.00 0.00 H new ATOM 0 HB2 ARG A 107 6.081 2.109 7.743 1.00 0.00 H new ATOM 0 HB3 ARG A 107 5.405 3.350 8.778 1.00 0.00 H new ATOM 0 HG2 ARG A 107 6.874 0.846 9.680 1.00 0.00 H new ATOM 0 HG3 ARG A 107 7.475 2.491 9.744 1.00 0.00 H new ATOM 0 HD2 ARG A 107 5.123 1.362 11.315 1.00 0.00 H new ATOM 0 HD3 ARG A 107 6.694 1.792 11.960 1.00 0.00 H new ATOM 0 HE ARG A 107 5.669 4.119 10.714 1.00 0.00 H new ATOM 0 HH11 ARG A 107 4.852 1.978 13.416 1.00 0.00 H new ATOM 0 HH12 ARG A 107 4.060 3.261 14.337 1.00 0.00 H new ATOM 0 HH21 ARG A 107 4.653 5.749 11.916 1.00 0.00 H new ATOM 0 HH22 ARG A 107 3.949 5.379 13.494 1.00 0.00 H new ATOM 1729 N VAL A 108 3.578 1.731 6.428 1.00 0.00 N ATOM 1730 CA VAL A 108 2.773 2.213 5.310 1.00 0.00 C ATOM 1731 C VAL A 108 1.348 1.657 5.375 1.00 0.00 C ATOM 1732 O VAL A 108 0.377 2.376 5.137 1.00 0.00 O ATOM 1733 CB VAL A 108 3.424 1.838 3.955 1.00 0.00 C ATOM 1734 CG1 VAL A 108 2.530 2.235 2.786 1.00 0.00 C ATOM 1735 CG2 VAL A 108 4.800 2.492 3.829 1.00 0.00 C ATOM 0 H VAL A 108 4.340 1.110 6.158 1.00 0.00 H new ATOM 0 HA VAL A 108 2.725 3.299 5.387 1.00 0.00 H new ATOM 0 HB VAL A 108 3.548 0.755 3.926 1.00 0.00 H new ATOM 0 HG11 VAL A 108 3.013 1.959 1.849 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.574 1.718 2.867 1.00 0.00 H new ATOM 0 HG13 VAL A 108 2.363 3.312 2.805 1.00 0.00 H new ATOM 0 HG21 VAL A 108 5.246 2.220 2.872 1.00 0.00 H new ATOM 0 HG22 VAL A 108 4.694 3.575 3.885 1.00 0.00 H new ATOM 0 HG23 VAL A 108 5.442 2.148 4.640 1.00 0.00 H new ATOM 1745 N TYR A 109 1.234 0.383 5.716 1.00 0.00 N ATOM 1746 CA TYR A 109 -0.058 -0.292 5.770 1.00 0.00 C ATOM 1747 C TYR A 109 -0.957 0.307 6.862 1.00 0.00 C ATOM 1748 O TYR A 109 -2.146 0.547 6.635 1.00 0.00 O ATOM 1749 CB TYR A 109 0.165 -1.796 5.998 1.00 0.00 C ATOM 1750 CG TYR A 109 -1.102 -2.622 6.147 1.00 0.00 C ATOM 1751 CD1 TYR A 109 -1.679 -2.836 7.397 1.00 0.00 C ATOM 1752 CD2 TYR A 109 -1.713 -3.203 5.039 1.00 0.00 C ATOM 1753 CE1 TYR A 109 -2.822 -3.599 7.536 1.00 0.00 C ATOM 1754 CE2 TYR A 109 -2.857 -3.966 5.172 1.00 0.00 C ATOM 1755 CZ TYR A 109 -3.407 -4.162 6.421 1.00 0.00 C ATOM 1756 OH TYR A 109 -4.544 -4.926 6.556 1.00 0.00 O ATOM 0 H TYR A 109 2.026 -0.210 5.962 1.00 0.00 H new ATOM 0 HA TYR A 109 -0.573 -0.147 4.820 1.00 0.00 H new ATOM 0 HB2 TYR A 109 0.742 -2.192 5.162 1.00 0.00 H new ATOM 0 HB3 TYR A 109 0.772 -1.925 6.894 1.00 0.00 H new ATOM 0 HD1 TYR A 109 -1.224 -2.397 8.273 1.00 0.00 H new ATOM 0 HD2 TYR A 109 -1.285 -3.055 4.059 1.00 0.00 H new ATOM 0 HE1 TYR A 109 -3.256 -3.754 8.513 1.00 0.00 H new ATOM 0 HE2 TYR A 109 -3.319 -4.407 4.301 1.00 0.00 H new ATOM 0 HH TYR A 109 -5.330 -4.386 6.331 1.00 0.00 H new ATOM 1766 N GLN A 110 -0.386 0.570 8.039 1.00 0.00 N ATOM 1767 CA GLN A 110 -1.172 1.058 9.175 1.00 0.00 C ATOM 1768 C GLN A 110 -1.665 2.491 8.944 1.00 0.00 C ATOM 1769 O GLN A 110 -2.795 2.834 9.318 1.00 0.00 O ATOM 1770 CB GLN A 110 -0.376 0.939 10.495 1.00 0.00 C ATOM 1771 CG GLN A 110 0.920 1.750 10.558 1.00 0.00 C ATOM 1772 CD GLN A 110 0.709 3.215 10.917 1.00 0.00 C ATOM 1773 OE1 GLN A 110 -0.222 3.563 11.641 1.00 0.00 O ATOM 1774 NE2 GLN A 110 1.571 4.081 10.408 1.00 0.00 N ATOM 0 H GLN A 110 0.609 0.455 8.230 1.00 0.00 H new ATOM 0 HA GLN A 110 -2.054 0.424 9.262 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -1.020 1.252 11.317 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -0.135 -0.111 10.660 1.00 0.00 H new ATOM 0 HG2 GLN A 110 1.586 1.297 11.293 1.00 0.00 H new ATOM 0 HG3 GLN A 110 1.423 1.690 9.593 1.00 0.00 H new ATOM 0 HE21 GLN A 110 2.331 3.754 9.811 1.00 0.00 H new ATOM 0 HE22 GLN A 110 1.476 5.076 10.612 1.00 0.00 H new ATOM 1783 N LEU A 111 -0.832 3.325 8.311 1.00 0.00 N ATOM 1784 CA LEU A 111 -1.219 4.709 8.029 1.00 0.00 C ATOM 1785 C LEU A 111 -2.241 4.750 6.897 1.00 0.00 C ATOM 1786 O LEU A 111 -3.033 5.688 6.795 1.00 0.00 O ATOM 1787 CB LEU A 111 0.012 5.593 7.725 1.00 0.00 C ATOM 1788 CG LEU A 111 0.894 5.187 6.522 1.00 0.00 C ATOM 1789 CD1 LEU A 111 0.291 5.647 5.193 1.00 0.00 C ATOM 1790 CD2 LEU A 111 2.311 5.737 6.687 1.00 0.00 C ATOM 0 H LEU A 111 0.101 3.069 7.989 1.00 0.00 H new ATOM 0 HA LEU A 111 -1.687 5.123 8.922 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -0.337 6.612 7.559 1.00 0.00 H new ATOM 0 HB3 LEU A 111 0.642 5.612 8.614 1.00 0.00 H new ATOM 0 HG LEU A 111 0.939 4.098 6.501 1.00 0.00 H new ATOM 0 HD11 LEU A 111 0.941 5.342 4.373 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -0.692 5.195 5.064 1.00 0.00 H new ATOM 0 HD13 LEU A 111 0.194 6.733 5.194 1.00 0.00 H new ATOM 0 HD21 LEU A 111 2.918 5.442 5.831 1.00 0.00 H new ATOM 0 HD22 LEU A 111 2.274 6.825 6.748 1.00 0.00 H new ATOM 0 HD23 LEU A 111 2.752 5.337 7.600 1.00 0.00 H new ATOM 1802 N MET A 112 -2.217 3.717 6.058 1.00 0.00 N ATOM 1803 CA MET A 112 -3.199 3.562 4.989 1.00 0.00 C ATOM 1804 C MET A 112 -4.580 3.317 5.582 1.00 0.00 C ATOM 1805 O MET A 112 -5.554 3.977 5.224 1.00 0.00 O ATOM 1806 CB MET A 112 -2.817 2.382 4.090 1.00 0.00 C ATOM 1807 CG MET A 112 -3.790 2.127 2.946 1.00 0.00 C ATOM 1808 SD MET A 112 -3.461 0.567 2.106 1.00 0.00 S ATOM 1809 CE MET A 112 -1.723 0.751 1.732 1.00 0.00 C ATOM 0 H MET A 112 -1.523 2.971 6.099 1.00 0.00 H new ATOM 0 HA MET A 112 -3.216 4.477 4.396 1.00 0.00 H new ATOM 0 HB2 MET A 112 -1.825 2.562 3.675 1.00 0.00 H new ATOM 0 HB3 MET A 112 -2.748 1.482 4.701 1.00 0.00 H new ATOM 0 HG2 MET A 112 -4.809 2.121 3.333 1.00 0.00 H new ATOM 0 HG3 MET A 112 -3.726 2.945 2.228 1.00 0.00 H new ATOM 0 HE1 MET A 112 -1.515 0.327 0.750 1.00 0.00 H new ATOM 0 HE2 MET A 112 -1.461 1.809 1.733 1.00 0.00 H new ATOM 0 HE3 MET A 112 -1.132 0.230 2.485 1.00 0.00 H new ATOM 1819 N GLU A 113 -4.648 2.358 6.502 1.00 0.00 N ATOM 1820 CA GLU A 113 -5.905 1.977 7.134 1.00 0.00 C ATOM 1821 C GLU A 113 -6.594 3.190 7.765 1.00 0.00 C ATOM 1822 O GLU A 113 -7.716 3.545 7.393 1.00 0.00 O ATOM 1823 CB GLU A 113 -5.659 0.906 8.207 1.00 0.00 C ATOM 1824 CG GLU A 113 -6.930 0.422 8.898 1.00 0.00 C ATOM 1825 CD GLU A 113 -6.646 -0.494 10.077 1.00 0.00 C ATOM 1826 OE1 GLU A 113 -6.336 0.025 11.172 1.00 0.00 O ATOM 1827 OE2 GLU A 113 -6.728 -1.730 9.919 1.00 0.00 O ATOM 0 H GLU A 113 -3.840 1.828 6.827 1.00 0.00 H new ATOM 0 HA GLU A 113 -6.558 1.571 6.362 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -5.159 0.053 7.748 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -4.979 1.307 8.958 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -7.502 1.284 9.243 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -7.553 -0.105 8.175 1.00 0.00 H new ATOM 1834 N GLN A 114 -5.883 3.848 8.681 1.00 0.00 N ATOM 1835 CA GLN A 114 -6.454 4.922 9.500 1.00 0.00 C ATOM 1836 C GLN A 114 -6.960 6.108 8.665 1.00 0.00 C ATOM 1837 O GLN A 114 -7.619 7.003 9.200 1.00 0.00 O ATOM 1838 CB GLN A 114 -5.421 5.403 10.530 1.00 0.00 C ATOM 1839 CG GLN A 114 -4.128 5.924 9.915 1.00 0.00 C ATOM 1840 CD GLN A 114 -3.084 6.282 10.960 1.00 0.00 C ATOM 1841 OE1 GLN A 114 -2.259 5.313 11.324 1.00 0.00 O flip ATOM 1842 NE2 GLN A 114 -3.021 7.417 11.437 1.00 0.00 N flip ATOM 0 H GLN A 114 -4.901 3.655 8.877 1.00 0.00 H new ATOM 0 HA GLN A 114 -7.321 4.504 10.011 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -5.867 6.192 11.135 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -5.185 4.580 11.204 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -3.720 5.169 9.243 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -4.347 6.804 9.310 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -3.676 8.136 11.130 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -2.314 7.637 12.139 1.00 0.00 H new ATOM 1851 N ASP A 115 -6.658 6.118 7.368 1.00 0.00 N ATOM 1852 CA ASP A 115 -7.114 7.195 6.483 1.00 0.00 C ATOM 1853 C ASP A 115 -7.845 6.632 5.262 1.00 0.00 C ATOM 1854 O ASP A 115 -9.060 6.778 5.137 1.00 0.00 O ATOM 1855 CB ASP A 115 -5.933 8.072 6.039 1.00 0.00 C ATOM 1856 CG ASP A 115 -6.347 9.180 5.077 1.00 0.00 C ATOM 1857 OD1 ASP A 115 -7.061 10.115 5.509 1.00 0.00 O ATOM 1858 OD2 ASP A 115 -5.953 9.124 3.889 1.00 0.00 O ATOM 0 H ASP A 115 -6.103 5.398 6.906 1.00 0.00 H new ATOM 0 HA ASP A 115 -7.814 7.813 7.045 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -5.466 8.516 6.918 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -5.180 7.445 5.561 1.00 0.00 H new ATOM 1863 N SER A 116 -7.110 5.968 4.380 1.00 0.00 N ATOM 1864 CA SER A 116 -7.675 5.462 3.130 1.00 0.00 C ATOM 1865 C SER A 116 -8.804 4.451 3.385 1.00 0.00 C ATOM 1866 O SER A 116 -9.816 4.459 2.681 1.00 0.00 O ATOM 1867 CB SER A 116 -6.572 4.831 2.266 1.00 0.00 C ATOM 1868 OG SER A 116 -7.059 4.467 0.985 1.00 0.00 O ATOM 0 H SER A 116 -6.118 5.765 4.505 1.00 0.00 H new ATOM 0 HA SER A 116 -8.107 6.307 2.594 1.00 0.00 H new ATOM 0 HB2 SER A 116 -5.747 5.535 2.156 1.00 0.00 H new ATOM 0 HB3 SER A 116 -6.174 3.950 2.769 1.00 0.00 H new ATOM 0 HG SER A 116 -7.210 3.499 0.955 1.00 0.00 H new ATOM 1874 N TYR A 117 -8.648 3.600 4.406 1.00 0.00 N ATOM 1875 CA TYR A 117 -9.645 2.563 4.687 1.00 0.00 C ATOM 1876 C TYR A 117 -10.920 3.180 5.254 1.00 0.00 C ATOM 1877 O TYR A 117 -12.027 2.787 4.885 1.00 0.00 O ATOM 1878 CB TYR A 117 -9.073 1.508 5.646 1.00 0.00 C ATOM 1879 CG TYR A 117 -10.090 0.500 6.164 1.00 0.00 C ATOM 1880 CD1 TYR A 117 -10.758 -0.363 5.298 1.00 0.00 C ATOM 1881 CD2 TYR A 117 -10.373 0.410 7.524 1.00 0.00 C ATOM 1882 CE1 TYR A 117 -11.677 -1.281 5.775 1.00 0.00 C ATOM 1883 CE2 TYR A 117 -11.288 -0.505 8.005 1.00 0.00 C ATOM 1884 CZ TYR A 117 -11.937 -1.349 7.128 1.00 0.00 C ATOM 1885 OH TYR A 117 -12.848 -2.262 7.608 1.00 0.00 O ATOM 0 H TYR A 117 -7.852 3.608 5.043 1.00 0.00 H new ATOM 0 HA TYR A 117 -9.898 2.067 3.750 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -8.274 0.969 5.136 1.00 0.00 H new ATOM 0 HB3 TYR A 117 -8.621 2.017 6.497 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -10.555 -0.315 4.238 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -9.868 1.068 8.215 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -12.189 -1.942 5.091 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -11.495 -0.560 9.064 1.00 0.00 H new ATOM 0 HH TYR A 117 -12.922 -3.011 6.981 1.00 0.00 H new ATOM 1895 N THR A 118 -10.761 4.161 6.135 1.00 0.00 N ATOM 1896 CA THR A 118 -11.904 4.858 6.710 1.00 0.00 C ATOM 1897 C THR A 118 -12.637 5.645 5.620 1.00 0.00 C ATOM 1898 O THR A 118 -13.870 5.614 5.534 1.00 0.00 O ATOM 1899 CB THR A 118 -11.464 5.794 7.861 1.00 0.00 C ATOM 1900 OG1 THR A 118 -10.407 6.653 7.416 1.00 0.00 O ATOM 1901 CG2 THR A 118 -10.989 4.987 9.068 1.00 0.00 C ATOM 0 H THR A 118 -9.854 4.491 6.466 1.00 0.00 H new ATOM 0 HA THR A 118 -12.586 4.118 7.129 1.00 0.00 H new ATOM 0 HB THR A 118 -12.324 6.394 8.158 1.00 0.00 H new ATOM 0 HG1 THR A 118 -10.137 6.397 6.510 1.00 0.00 H new ATOM 0 HG21 THR A 118 -10.685 5.667 9.864 1.00 0.00 H new ATOM 0 HG22 THR A 118 -11.801 4.352 9.424 1.00 0.00 H new ATOM 0 HG23 THR A 118 -10.142 4.365 8.779 1.00 0.00 H new ATOM 1909 N ARG A 119 -11.864 6.325 4.770 1.00 0.00 N ATOM 1910 CA ARG A 119 -12.417 7.019 3.607 1.00 0.00 C ATOM 1911 C ARG A 119 -13.214 6.045 2.744 1.00 0.00 C ATOM 1912 O ARG A 119 -14.316 6.354 2.296 1.00 0.00 O ATOM 1913 CB ARG A 119 -11.305 7.655 2.761 1.00 0.00 C ATOM 1914 CG ARG A 119 -10.558 8.792 3.448 1.00 0.00 C ATOM 1915 CD ARG A 119 -9.452 9.346 2.556 1.00 0.00 C ATOM 1916 NE ARG A 119 -8.716 10.435 3.198 1.00 0.00 N ATOM 1917 CZ ARG A 119 -7.996 11.340 2.536 1.00 0.00 C ATOM 1918 NH1 ARG A 119 -7.874 11.266 1.218 1.00 0.00 N ATOM 1919 NH2 ARG A 119 -7.370 12.305 3.196 1.00 0.00 N ATOM 0 H ARG A 119 -10.852 6.409 4.866 1.00 0.00 H new ATOM 0 HA ARG A 119 -13.073 7.809 3.971 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -10.589 6.881 2.485 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -11.741 8.031 1.835 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -11.257 9.589 3.701 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -10.129 8.435 4.384 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -8.760 8.544 2.299 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -9.886 9.704 1.622 1.00 0.00 H new ATOM 0 HE ARG A 119 -8.756 10.506 4.215 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -8.333 10.513 0.705 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -7.321 11.962 0.717 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -7.439 12.356 4.212 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -6.819 12.997 2.687 1.00 0.00 H new ATOM 1933 N PHE A 120 -12.649 4.859 2.530 1.00 0.00 N ATOM 1934 CA PHE A 120 -13.305 3.823 1.738 1.00 0.00 C ATOM 1935 C PHE A 120 -14.655 3.458 2.356 1.00 0.00 C ATOM 1936 O PHE A 120 -15.649 3.307 1.651 1.00 0.00 O ATOM 1937 CB PHE A 120 -12.410 2.581 1.629 1.00 0.00 C ATOM 1938 CG PHE A 120 -12.975 1.496 0.742 1.00 0.00 C ATOM 1939 CD1 PHE A 120 -12.883 1.595 -0.641 1.00 0.00 C ATOM 1940 CD2 PHE A 120 -13.600 0.382 1.287 1.00 0.00 C ATOM 1941 CE1 PHE A 120 -13.398 0.607 -1.458 1.00 0.00 C ATOM 1942 CE2 PHE A 120 -14.116 -0.609 0.472 1.00 0.00 C ATOM 1943 CZ PHE A 120 -14.016 -0.496 -0.901 1.00 0.00 C ATOM 0 H PHE A 120 -11.735 4.592 2.896 1.00 0.00 H new ATOM 0 HA PHE A 120 -13.477 4.211 0.734 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -11.435 2.880 1.244 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -12.248 2.173 2.627 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -12.403 2.455 -1.083 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -13.684 0.289 2.360 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -13.318 0.697 -2.531 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -14.597 -1.471 0.909 1.00 0.00 H new ATOM 0 HZ PHE A 120 -14.420 -1.269 -1.538 1.00 0.00 H new ATOM 1953 N LEU A 121 -14.690 3.347 3.680 1.00 0.00 N ATOM 1954 CA LEU A 121 -15.926 3.021 4.390 1.00 0.00 C ATOM 1955 C LEU A 121 -16.909 4.194 4.353 1.00 0.00 C ATOM 1956 O LEU A 121 -18.088 4.040 4.677 1.00 0.00 O ATOM 1957 CB LEU A 121 -15.628 2.639 5.846 1.00 0.00 C ATOM 1958 CG LEU A 121 -14.738 1.400 6.038 1.00 0.00 C ATOM 1959 CD1 LEU A 121 -14.551 1.101 7.525 1.00 0.00 C ATOM 1960 CD2 LEU A 121 -15.324 0.189 5.311 1.00 0.00 C ATOM 0 H LEU A 121 -13.879 3.477 4.284 1.00 0.00 H new ATOM 0 HA LEU A 121 -16.383 2.170 3.885 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -15.149 3.488 6.335 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -16.574 2.468 6.359 1.00 0.00 H new ATOM 0 HG LEU A 121 -13.761 1.612 5.604 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -13.919 0.221 7.642 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -14.079 1.955 8.011 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -15.522 0.914 7.983 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -14.676 -0.675 5.462 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -16.316 -0.028 5.707 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -15.398 0.405 4.245 1.00 0.00 H new ATOM 1972 N LYS A 122 -16.415 5.374 3.988 1.00 0.00 N ATOM 1973 CA LYS A 122 -17.253 6.573 3.898 1.00 0.00 C ATOM 1974 C LYS A 122 -17.378 7.067 2.452 1.00 0.00 C ATOM 1975 O LYS A 122 -17.931 8.143 2.209 1.00 0.00 O ATOM 1976 CB LYS A 122 -16.669 7.686 4.785 1.00 0.00 C ATOM 1977 CG LYS A 122 -16.657 7.374 6.289 1.00 0.00 C ATOM 1978 CD LYS A 122 -17.997 7.675 6.976 1.00 0.00 C ATOM 1979 CE LYS A 122 -19.095 6.671 6.626 1.00 0.00 C ATOM 1980 NZ LYS A 122 -18.733 5.284 7.022 1.00 0.00 N ATOM 0 H LYS A 122 -15.436 5.529 3.748 1.00 0.00 H new ATOM 0 HA LYS A 122 -18.252 6.312 4.248 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -15.648 7.889 4.463 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -17.242 8.599 4.622 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -16.409 6.323 6.434 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -15.870 7.956 6.769 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -17.850 7.681 8.056 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -18.325 8.675 6.694 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -20.021 6.959 7.123 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -19.286 6.703 5.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -18.457 4.743 6.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -17.938 5.311 7.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -19.551 4.827 7.474 1.00 0.00 H new ATOM 1994 N SER A 123 -16.866 6.287 1.500 1.00 0.00 N ATOM 1995 CA SER A 123 -16.918 6.666 0.089 1.00 0.00 C ATOM 1996 C SER A 123 -18.251 6.266 -0.537 1.00 0.00 C ATOM 1997 O SER A 123 -18.857 5.265 -0.141 1.00 0.00 O ATOM 1998 CB SER A 123 -15.771 6.003 -0.687 1.00 0.00 C ATOM 1999 OG SER A 123 -15.926 4.591 -0.738 1.00 0.00 O ATOM 0 H SER A 123 -16.412 5.392 1.680 1.00 0.00 H new ATOM 0 HA SER A 123 -16.815 7.750 0.033 1.00 0.00 H new ATOM 0 HB2 SER A 123 -15.736 6.403 -1.700 1.00 0.00 H new ATOM 0 HB3 SER A 123 -14.820 6.249 -0.214 1.00 0.00 H new ATOM 0 HG SER A 123 -15.762 4.212 0.151 1.00 0.00 H new ATOM 2005 N ASP A 124 -18.697 7.048 -1.521 1.00 0.00 N ATOM 2006 CA ASP A 124 -19.902 6.720 -2.287 1.00 0.00 C ATOM 2007 C ASP A 124 -19.712 5.378 -2.982 1.00 0.00 C ATOM 2008 O ASP A 124 -20.668 4.639 -3.205 1.00 0.00 O ATOM 2009 CB ASP A 124 -20.203 7.807 -3.336 1.00 0.00 C ATOM 2010 CG ASP A 124 -19.230 7.780 -4.512 1.00 0.00 C ATOM 2011 OD1 ASP A 124 -18.073 8.216 -4.339 1.00 0.00 O ATOM 2012 OD2 ASP A 124 -19.621 7.325 -5.610 1.00 0.00 O ATOM 0 H ASP A 124 -18.242 7.915 -1.807 1.00 0.00 H new ATOM 0 HA ASP A 124 -20.745 6.666 -1.598 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -21.219 7.675 -3.708 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -20.163 8.786 -2.859 1.00 0.00 H new ATOM 2017 N ILE A 125 -18.457 5.081 -3.310 1.00 0.00 N ATOM 2018 CA ILE A 125 -18.080 3.828 -3.955 1.00 0.00 C ATOM 2019 C ILE A 125 -18.560 2.623 -3.144 1.00 0.00 C ATOM 2020 O ILE A 125 -19.306 1.779 -3.647 1.00 0.00 O ATOM 2021 CB ILE A 125 -16.541 3.749 -4.141 1.00 0.00 C ATOM 2022 CG1 ILE A 125 -16.054 4.859 -5.093 1.00 0.00 C ATOM 2023 CG2 ILE A 125 -16.118 2.369 -4.644 1.00 0.00 C ATOM 2024 CD1 ILE A 125 -16.654 4.787 -6.482 1.00 0.00 C ATOM 0 H ILE A 125 -17.670 5.706 -3.135 1.00 0.00 H new ATOM 0 HA ILE A 125 -18.561 3.805 -4.933 1.00 0.00 H new ATOM 0 HB ILE A 125 -16.072 3.904 -3.169 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -16.292 5.829 -4.656 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -14.968 4.803 -5.174 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -15.035 2.342 -4.765 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -16.421 1.610 -3.923 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -16.596 2.169 -5.603 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -16.261 5.602 -7.091 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -16.395 3.833 -6.941 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -17.738 4.874 -6.415 1.00 0.00 H new ATOM 2036 N TYR A 126 -18.142 2.554 -1.884 1.00 0.00 N ATOM 2037 CA TYR A 126 -18.501 1.433 -1.021 1.00 0.00 C ATOM 2038 C TYR A 126 -20.004 1.433 -0.749 1.00 0.00 C ATOM 2039 O TYR A 126 -20.644 0.379 -0.728 1.00 0.00 O ATOM 2040 CB TYR A 126 -17.711 1.490 0.292 1.00 0.00 C ATOM 2041 CG TYR A 126 -17.898 0.273 1.181 1.00 0.00 C ATOM 2042 CD1 TYR A 126 -17.634 -1.007 0.702 1.00 0.00 C ATOM 2043 CD2 TYR A 126 -18.326 0.400 2.499 1.00 0.00 C ATOM 2044 CE1 TYR A 126 -17.790 -2.120 1.505 1.00 0.00 C ATOM 2045 CE2 TYR A 126 -18.486 -0.709 3.309 1.00 0.00 C ATOM 2046 CZ TYR A 126 -18.217 -1.967 2.808 1.00 0.00 C ATOM 2047 OH TYR A 126 -18.370 -3.072 3.611 1.00 0.00 O ATOM 0 H TYR A 126 -17.555 3.259 -1.438 1.00 0.00 H new ATOM 0 HA TYR A 126 -18.244 0.505 -1.532 1.00 0.00 H new ATOM 0 HB2 TYR A 126 -16.651 1.599 0.062 1.00 0.00 H new ATOM 0 HB3 TYR A 126 -18.010 2.380 0.845 1.00 0.00 H new ATOM 0 HD1 TYR A 126 -17.301 -1.132 -0.318 1.00 0.00 H new ATOM 0 HD2 TYR A 126 -18.537 1.382 2.896 1.00 0.00 H new ATOM 0 HE1 TYR A 126 -17.579 -3.105 1.115 1.00 0.00 H new ATOM 0 HE2 TYR A 126 -18.820 -0.592 4.329 1.00 0.00 H new ATOM 0 HH TYR A 126 -18.015 -3.862 3.152 1.00 0.00 H new ATOM 2057 N LEU A 127 -20.566 2.626 -0.568 1.00 0.00 N ATOM 2058 CA LEU A 127 -22.003 2.774 -0.331 1.00 0.00 C ATOM 2059 C LEU A 127 -22.799 2.334 -1.560 1.00 0.00 C ATOM 2060 O LEU A 127 -23.938 1.874 -1.445 1.00 0.00 O ATOM 2061 CB LEU A 127 -22.341 4.230 0.023 1.00 0.00 C ATOM 2062 CG LEU A 127 -21.670 4.770 1.297 1.00 0.00 C ATOM 2063 CD1 LEU A 127 -22.052 6.230 1.535 1.00 0.00 C ATOM 2064 CD2 LEU A 127 -22.032 3.908 2.508 1.00 0.00 C ATOM 0 H LEU A 127 -20.049 3.505 -0.581 1.00 0.00 H new ATOM 0 HA LEU A 127 -22.278 2.136 0.509 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -22.056 4.866 -0.815 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -23.422 4.317 0.136 1.00 0.00 H new ATOM 0 HG LEU A 127 -20.590 4.722 1.158 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -21.566 6.590 2.442 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -21.730 6.833 0.686 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -23.133 6.310 1.647 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -21.546 4.308 3.398 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -23.113 3.915 2.650 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -21.695 2.885 2.340 1.00 0.00 H new ATOM 2076 N ASP A 128 -22.183 2.474 -2.729 1.00 0.00 N ATOM 2077 CA ASP A 128 -22.791 2.065 -3.994 1.00 0.00 C ATOM 2078 C ASP A 128 -22.826 0.543 -4.088 1.00 0.00 C ATOM 2079 O ASP A 128 -23.788 -0.038 -4.591 1.00 0.00 O ATOM 2080 CB ASP A 128 -22.000 2.654 -5.173 1.00 0.00 C ATOM 2081 CG ASP A 128 -22.610 2.326 -6.527 1.00 0.00 C ATOM 2082 OD1 ASP A 128 -23.526 3.054 -6.965 1.00 0.00 O ATOM 2083 OD2 ASP A 128 -22.164 1.351 -7.170 1.00 0.00 O ATOM 0 H ASP A 128 -21.250 2.873 -2.828 1.00 0.00 H new ATOM 0 HA ASP A 128 -23.813 2.442 -4.035 1.00 0.00 H new ATOM 0 HB2 ASP A 128 -21.944 3.737 -5.060 1.00 0.00 H new ATOM 0 HB3 ASP A 128 -20.978 2.277 -5.141 1.00 0.00 H new ATOM 2088 N LEU A 129 -21.767 -0.094 -3.587 1.00 0.00 N ATOM 2089 CA LEU A 129 -21.696 -1.554 -3.536 1.00 0.00 C ATOM 2090 C LEU A 129 -22.775 -2.096 -2.602 1.00 0.00 C ATOM 2091 O LEU A 129 -23.299 -3.194 -2.804 1.00 0.00 O ATOM 2092 CB LEU A 129 -20.308 -2.018 -3.060 1.00 0.00 C ATOM 2093 CG LEU A 129 -19.120 -1.512 -3.897 1.00 0.00 C ATOM 2094 CD1 LEU A 129 -17.797 -1.997 -3.307 1.00 0.00 C ATOM 2095 CD2 LEU A 129 -19.257 -1.951 -5.355 1.00 0.00 C ATOM 0 H LEU A 129 -20.946 0.379 -3.210 1.00 0.00 H new ATOM 0 HA LEU A 129 -21.862 -1.941 -4.541 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -20.169 -1.693 -2.029 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -20.290 -3.108 -3.056 1.00 0.00 H new ATOM 0 HG LEU A 129 -19.125 -0.422 -3.870 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -16.971 -1.628 -3.914 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -17.694 -1.623 -2.288 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -17.781 -3.087 -3.297 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -18.406 -1.582 -5.928 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -19.284 -3.039 -5.406 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -20.179 -1.545 -5.772 1.00 0.00 H new ATOM 2107 N MET A 130 -23.094 -1.312 -1.573 1.00 0.00 N ATOM 2108 CA MET A 130 -24.155 -1.664 -0.633 1.00 0.00 C ATOM 2109 C MET A 130 -25.512 -1.552 -1.321 1.00 0.00 C ATOM 2110 O MET A 130 -26.309 -2.492 -1.311 1.00 0.00 O ATOM 2111 CB MET A 130 -24.126 -0.739 0.597 1.00 0.00 C ATOM 2112 CG MET A 130 -22.795 -0.696 1.350 1.00 0.00 C ATOM 2113 SD MET A 130 -22.343 -2.268 2.120 1.00 0.00 S ATOM 2114 CE MET A 130 -21.515 -3.120 0.776 1.00 0.00 C ATOM 0 H MET A 130 -22.631 -0.426 -1.370 1.00 0.00 H new ATOM 0 HA MET A 130 -23.993 -2.690 -0.302 1.00 0.00 H new ATOM 0 HB2 MET A 130 -24.376 0.272 0.277 1.00 0.00 H new ATOM 0 HB3 MET A 130 -24.906 -1.057 1.289 1.00 0.00 H new ATOM 0 HG2 MET A 130 -22.006 -0.400 0.658 1.00 0.00 H new ATOM 0 HG3 MET A 130 -22.848 0.073 2.120 1.00 0.00 H new ATOM 0 HE1 MET A 130 -20.617 -3.610 1.154 1.00 0.00 H new ATOM 0 HE2 MET A 130 -22.185 -3.868 0.352 1.00 0.00 H new ATOM 0 HE3 MET A 130 -21.239 -2.401 0.005 1.00 0.00 H new ATOM 2124 N GLU A 131 -25.752 -0.382 -1.921 1.00 0.00 N ATOM 2125 CA GLU A 131 -27.007 -0.080 -2.616 1.00 0.00 C ATOM 2126 C GLU A 131 -28.197 -0.164 -1.651 1.00 0.00 C ATOM 2127 O GLU A 131 -29.344 -0.343 -2.066 1.00 0.00 O ATOM 2128 CB GLU A 131 -27.205 -1.026 -3.817 1.00 0.00 C ATOM 2129 CG GLU A 131 -28.295 -0.571 -4.788 1.00 0.00 C ATOM 2130 CD GLU A 131 -28.577 -1.587 -5.881 1.00 0.00 C ATOM 2131 OE1 GLU A 131 -27.905 -1.538 -6.936 1.00 0.00 O ATOM 2132 OE2 GLU A 131 -29.478 -2.434 -5.697 1.00 0.00 O ATOM 0 H GLU A 131 -25.079 0.385 -1.938 1.00 0.00 H new ATOM 0 HA GLU A 131 -26.951 0.941 -2.994 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -26.263 -1.113 -4.358 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -27.453 -2.021 -3.447 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -29.213 -0.380 -4.232 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -27.996 0.373 -5.245 1.00 0.00 H new ATOM 2139 N GLY A 132 -27.922 -0.005 -0.359 1.00 0.00 N ATOM 2140 CA GLY A 132 -28.976 -0.053 0.642 1.00 0.00 C ATOM 2141 C GLY A 132 -29.892 1.152 0.560 1.00 0.00 C ATOM 2142 O GLY A 132 -31.033 1.114 1.028 1.00 0.00 O ATOM 0 H GLY A 132 -26.986 0.157 0.014 1.00 0.00 H new ATOM 0 HA2 GLY A 132 -29.561 -0.963 0.509 1.00 0.00 H new ATOM 0 HA3 GLY A 132 -28.530 -0.103 1.636 1.00 0.00 H new ATOM 2146 N ARG A 133 -29.383 2.222 -0.043 1.00 0.00 N ATOM 2147 CA ARG A 133 -30.132 3.461 -0.216 1.00 0.00 C ATOM 2148 C ARG A 133 -29.353 4.419 -1.120 1.00 0.00 C ATOM 2149 O ARG A 133 -28.335 4.981 -0.707 1.00 0.00 O ATOM 2150 CB ARG A 133 -30.417 4.110 1.150 1.00 0.00 C ATOM 2151 CG ARG A 133 -31.020 5.511 1.065 1.00 0.00 C ATOM 2152 CD ARG A 133 -31.490 6.010 2.428 1.00 0.00 C ATOM 2153 NE ARG A 133 -30.503 5.755 3.482 1.00 0.00 N ATOM 2154 CZ ARG A 133 -30.170 6.631 4.431 1.00 0.00 C ATOM 2155 NH1 ARG A 133 -30.648 7.869 4.402 1.00 0.00 N ATOM 2156 NH2 ARG A 133 -29.334 6.269 5.395 1.00 0.00 N ATOM 0 H ARG A 133 -28.438 2.254 -0.426 1.00 0.00 H new ATOM 0 HA ARG A 133 -31.087 3.235 -0.690 1.00 0.00 H new ATOM 0 HB2 ARG A 133 -31.097 3.468 1.710 1.00 0.00 H new ATOM 0 HB3 ARG A 133 -29.487 4.161 1.716 1.00 0.00 H new ATOM 0 HG2 ARG A 133 -30.280 6.201 0.661 1.00 0.00 H new ATOM 0 HG3 ARG A 133 -31.861 5.503 0.371 1.00 0.00 H new ATOM 0 HD2 ARG A 133 -31.691 7.080 2.372 1.00 0.00 H new ATOM 0 HD3 ARG A 133 -32.430 5.523 2.687 1.00 0.00 H new ATOM 0 HE ARG A 133 -30.040 4.846 3.490 1.00 0.00 H new ATOM 0 HH11 ARG A 133 -31.275 8.156 3.650 1.00 0.00 H new ATOM 0 HH12 ARG A 133 -30.389 8.533 5.131 1.00 0.00 H new ATOM 0 HH21 ARG A 133 -28.949 5.325 5.408 1.00 0.00 H new ATOM 0 HH22 ARG A 133 -29.076 6.935 6.123 1.00 0.00 H new ATOM 2170 N PRO A 134 -29.801 4.592 -2.381 1.00 0.00 N ATOM 2171 CA PRO A 134 -29.154 5.496 -3.338 1.00 0.00 C ATOM 2172 C PRO A 134 -29.523 6.960 -3.085 1.00 0.00 C ATOM 2173 O PRO A 134 -30.145 7.618 -3.926 1.00 0.00 O ATOM 2174 CB PRO A 134 -29.698 5.008 -4.687 1.00 0.00 C ATOM 2175 CG PRO A 134 -31.058 4.486 -4.370 1.00 0.00 C ATOM 2176 CD PRO A 134 -30.971 3.906 -2.978 1.00 0.00 C ATOM 0 HA PRO A 134 -28.066 5.473 -3.273 1.00 0.00 H new ATOM 0 HB2 PRO A 134 -29.743 5.819 -5.414 1.00 0.00 H new ATOM 0 HB3 PRO A 134 -29.064 4.231 -5.114 1.00 0.00 H new ATOM 0 HG2 PRO A 134 -31.801 5.282 -4.415 1.00 0.00 H new ATOM 0 HG3 PRO A 134 -31.361 3.726 -5.090 1.00 0.00 H new ATOM 0 HD2 PRO A 134 -31.880 4.097 -2.408 1.00 0.00 H new ATOM 0 HD3 PRO A 134 -30.831 2.825 -3.003 1.00 0.00 H new TER 2184 PRO A 134