USER MOD reduce.3.24.130724 H: found=0, std=0, add=774, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 777 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 94 THR OG1 : rot 122:sc= 0.143 USER MOD Set 1.2: A 103 ASN : amide:sc= 0.175 K(o=0.32,f=-0.44) USER MOD Set 2.1: A 79 GLN : amide:sc= -1.05! C(o=-2.4!,f=-5.8!) USER MOD Set 2.2: A 83 HIS : no HE2:sc= -1.33! C(o=-2.4!,f=-12!) USER MOD Set 3.1: A 61 THR OG1 : rot 180:sc= -0.129 USER MOD Set 3.2: A 75 TYR OH : rot 155:sc= -0.244 USER MOD Set 4.1: A 51 THR OG1 : rot -169:sc= 0.667 USER MOD Set 4.2: A 54 GLN : amide:sc= 0.231 X(o=0.9,f=1) USER MOD Single : A 20 SER OG : rot 22:sc= 0.852 USER MOD Single : A 21 SER OG : rot 180:sc= 0.0981 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.0745 X(o=-0.075,f=-0.35) USER MOD Single : A 34 GLN : amide:sc= 0.712 K(o=0.71,f=-0.18) USER MOD Single : A 36 ASN : amide:sc= -0.17 K(o=-0.17,f=-2.2!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.0937 USER MOD Single : A 41 ASN : amide:sc= -0.0894 K(o=-0.089,f=-1.7!) USER MOD Single : A 44 SER OG : rot 180:sc= 0.0262 USER MOD Single : A 45 LYS NZ :NH3+ -134:sc= 0.968 (180deg=-0.575!) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= 0.0506 X(o=0.051,f=-0.07) USER MOD Single : A 53 GLN : amide:sc= -0.25 X(o=-0.25,f=-0.54) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 159:sc= 1.29 USER MOD Single : A 71 ASN : amide:sc= 0.282 X(o=0.28,f=-0.018) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 GLN :FLIP amide:sc= -0.146 F(o=-2.2!,f=-0.15) USER MOD Single : A 87 THR OG1 : rot -60:sc= -2.06! USER MOD Single : A 88 GLN : amide:sc= -0.453 X(o=-0.45,f=-0.66) USER MOD Single : A 89 GLN : amide:sc= -0.691 X(o=-0.69,f=-0.94) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 69:sc= 0.557 USER MOD Single : A 96 ASN : amide:sc= -1.02 X(o=-1,f=-0.96) USER MOD Single : A 97 SER OG : rot 84:sc= 0.141 USER MOD Single : A 98 SER OG : rot 180:sc= 0.13 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.0374 USER MOD Single : A 106 ASN : amide:sc= -1.2 K(o=-1.2,f=-3.6!) USER MOD Single : A 107 LYS NZ :NH3+ 150:sc= 1.27 (180deg=-0.317) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 116 HIS : no HE2:sc= 0.35 K(o=0.35,f=-6.4!) USER MOD Single : A 117 HIS : no HD1:sc= -0.0802 X(o=-0.08,f=-0.08) USER MOD Single : A 118 HIS : no HD1:sc= -0.0307 X(o=-0.031,f=-0.00011) USER MOD Single : A 119 HIS : no HD1:sc= -0.366 X(o=-0.37,f=-0.24) USER MOD Single : A 120 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 121 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 20 -11.315 -49.848 9.521 1.00 0.00 N ATOM 2 CA SER A 20 -10.241 -49.182 10.285 1.00 0.00 C ATOM 3 C SER A 20 -10.829 -48.343 11.412 1.00 0.00 C ATOM 4 O SER A 20 -11.594 -47.408 11.169 1.00 0.00 O ATOM 5 CB SER A 20 -9.417 -48.309 9.340 1.00 0.00 C ATOM 6 OG SER A 20 -9.864 -48.473 8.000 1.00 0.00 O ATOM 0 HA SER A 20 -9.595 -49.938 10.731 1.00 0.00 H new ATOM 0 HB2 SER A 20 -9.502 -47.263 9.633 1.00 0.00 H new ATOM 0 HB3 SER A 20 -8.363 -48.576 9.414 1.00 0.00 H new ATOM 0 HG SER A 20 -10.781 -48.819 8.001 1.00 0.00 H new ATOM 14 N SER A 21 -10.482 -48.692 12.642 1.00 0.00 N ATOM 15 CA SER A 21 -10.972 -47.981 13.809 1.00 0.00 C ATOM 16 C SER A 21 -10.329 -46.602 13.889 1.00 0.00 C ATOM 17 O SER A 21 -9.117 -46.457 13.710 1.00 0.00 O ATOM 18 CB SER A 21 -10.671 -48.792 15.068 1.00 0.00 C ATOM 19 OG SER A 21 -10.179 -50.082 14.729 1.00 0.00 O ATOM 0 H SER A 21 -9.858 -49.470 12.856 1.00 0.00 H new ATOM 0 HA SER A 21 -12.051 -47.851 13.727 1.00 0.00 H new ATOM 0 HB2 SER A 21 -9.937 -48.266 15.678 1.00 0.00 H new ATOM 0 HB3 SER A 21 -11.575 -48.889 15.669 1.00 0.00 H new ATOM 0 HG SER A 21 -9.990 -50.586 15.548 1.00 0.00 H new ATOM 25 N THR A 22 -11.138 -45.588 14.131 1.00 0.00 N ATOM 26 CA THR A 22 -10.654 -44.222 14.149 1.00 0.00 C ATOM 27 C THR A 22 -10.804 -43.601 15.529 1.00 0.00 C ATOM 28 O THR A 22 -11.916 -43.373 16.010 1.00 0.00 O ATOM 29 CB THR A 22 -11.399 -43.373 13.108 1.00 0.00 C ATOM 30 OG1 THR A 22 -11.542 -44.126 11.895 1.00 0.00 O ATOM 31 CG2 THR A 22 -10.650 -42.080 12.822 1.00 0.00 C ATOM 0 H THR A 22 -12.136 -45.686 14.318 1.00 0.00 H new ATOM 0 HA THR A 22 -9.594 -44.243 13.898 1.00 0.00 H new ATOM 0 HB THR A 22 -12.381 -43.118 13.506 1.00 0.00 H new ATOM 0 HG1 THR A 22 -12.019 -43.587 11.230 1.00 0.00 H new ATOM 0 HG21 THR A 22 -11.199 -41.498 12.082 1.00 0.00 H new ATOM 0 HG22 THR A 22 -10.557 -41.502 13.742 1.00 0.00 H new ATOM 0 HG23 THR A 22 -9.657 -42.312 12.437 1.00 0.00 H new ATOM 39 N LEU A 23 -9.677 -43.354 16.173 1.00 0.00 N ATOM 40 CA LEU A 23 -9.662 -42.697 17.468 1.00 0.00 C ATOM 41 C LEU A 23 -9.275 -41.237 17.288 1.00 0.00 C ATOM 42 O LEU A 23 -8.207 -40.936 16.753 1.00 0.00 O ATOM 43 CB LEU A 23 -8.675 -43.391 18.414 1.00 0.00 C ATOM 44 CG LEU A 23 -8.092 -44.710 17.899 1.00 0.00 C ATOM 45 CD1 LEU A 23 -6.667 -44.510 17.405 1.00 0.00 C ATOM 46 CD2 LEU A 23 -8.136 -45.772 18.986 1.00 0.00 C ATOM 0 H LEU A 23 -8.754 -43.601 15.817 1.00 0.00 H new ATOM 0 HA LEU A 23 -10.657 -42.758 17.909 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -7.853 -42.706 18.621 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -9.178 -43.581 19.362 1.00 0.00 H new ATOM 0 HG LEU A 23 -8.700 -45.050 17.061 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -6.271 -45.459 17.043 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.662 -43.782 16.594 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.046 -44.146 18.223 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -7.718 -46.703 18.603 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -7.553 -45.439 19.844 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -9.169 -45.937 19.292 1.00 0.00 H new ATOM 58 N GLU A 24 -10.150 -40.337 17.700 1.00 0.00 N ATOM 59 CA GLU A 24 -9.882 -38.910 17.579 1.00 0.00 C ATOM 60 C GLU A 24 -9.055 -38.423 18.761 1.00 0.00 C ATOM 61 O GLU A 24 -9.133 -38.979 19.859 1.00 0.00 O ATOM 62 CB GLU A 24 -11.185 -38.110 17.474 1.00 0.00 C ATOM 63 CG GLU A 24 -12.296 -38.608 18.385 1.00 0.00 C ATOM 64 CD GLU A 24 -13.250 -39.550 17.682 1.00 0.00 C ATOM 65 OE1 GLU A 24 -13.711 -39.223 16.571 1.00 0.00 O ATOM 66 OE2 GLU A 24 -13.538 -40.629 18.242 1.00 0.00 O ATOM 0 H GLU A 24 -11.051 -40.565 18.121 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.313 -38.751 16.663 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -10.978 -37.066 17.709 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.535 -38.141 16.442 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -11.856 -39.116 19.243 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -12.853 -37.755 18.771 1.00 0.00 H new ATOM 73 N ARG A 25 -8.257 -37.397 18.535 1.00 0.00 N ATOM 74 CA ARG A 25 -7.402 -36.854 19.576 1.00 0.00 C ATOM 75 C ARG A 25 -7.930 -35.506 20.036 1.00 0.00 C ATOM 76 O ARG A 25 -8.269 -34.651 19.214 1.00 0.00 O ATOM 77 CB ARG A 25 -5.968 -36.700 19.061 1.00 0.00 C ATOM 78 CG ARG A 25 -4.905 -37.246 20.005 1.00 0.00 C ATOM 79 CD ARG A 25 -4.240 -38.503 19.452 1.00 0.00 C ATOM 80 NE ARG A 25 -3.886 -38.376 18.036 1.00 0.00 N ATOM 81 CZ ARG A 25 -4.581 -38.933 17.042 1.00 0.00 C ATOM 82 NH1 ARG A 25 -5.645 -39.683 17.311 1.00 0.00 N ATOM 83 NH2 ARG A 25 -4.205 -38.754 15.782 1.00 0.00 N ATOM 0 H ARG A 25 -8.182 -36.920 17.636 1.00 0.00 H new ATOM 0 HA ARG A 25 -7.402 -37.544 20.419 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -5.882 -37.209 18.101 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -5.770 -35.643 18.881 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -4.147 -36.482 20.179 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.358 -37.471 20.970 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -3.341 -38.718 20.030 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -4.912 -39.352 19.580 1.00 0.00 H new ATOM 0 HE ARG A 25 -3.059 -37.829 17.796 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -5.931 -39.834 18.278 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -6.175 -40.108 16.550 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -3.382 -38.189 15.571 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -4.739 -39.181 15.025 1.00 0.00 H new ATOM 97 N VAL A 26 -8.014 -35.320 21.346 1.00 0.00 N ATOM 98 CA VAL A 26 -8.408 -34.036 21.911 1.00 0.00 C ATOM 99 C VAL A 26 -7.208 -33.092 21.921 1.00 0.00 C ATOM 100 O VAL A 26 -6.689 -32.726 22.976 1.00 0.00 O ATOM 101 CB VAL A 26 -8.972 -34.176 23.344 1.00 0.00 C ATOM 102 CG1 VAL A 26 -9.831 -32.971 23.701 1.00 0.00 C ATOM 103 CG2 VAL A 26 -9.770 -35.467 23.491 1.00 0.00 C ATOM 0 H VAL A 26 -7.815 -36.042 22.038 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.202 -33.630 21.285 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.131 -34.217 24.037 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -10.219 -33.088 24.713 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -9.228 -32.065 23.646 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -10.662 -32.896 23.000 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -10.156 -35.542 24.508 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -10.602 -35.463 22.786 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.123 -36.320 23.284 1.00 0.00 H new ATOM 113 N VAL A 27 -6.765 -32.724 20.730 1.00 0.00 N ATOM 114 CA VAL A 27 -5.593 -31.880 20.566 1.00 0.00 C ATOM 115 C VAL A 27 -6.013 -30.450 20.208 1.00 0.00 C ATOM 116 O VAL A 27 -7.204 -30.167 20.072 1.00 0.00 O ATOM 117 CB VAL A 27 -4.643 -32.468 19.486 1.00 0.00 C ATOM 118 CG1 VAL A 27 -5.098 -32.094 18.081 1.00 0.00 C ATOM 119 CG2 VAL A 27 -3.203 -32.035 19.729 1.00 0.00 C ATOM 0 H VAL A 27 -7.206 -33.001 19.853 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.050 -31.850 21.511 1.00 0.00 H new ATOM 0 HB VAL A 27 -4.685 -33.554 19.567 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -4.411 -32.521 17.350 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -6.101 -32.484 17.908 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.108 -31.009 17.978 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.560 -32.461 18.959 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.139 -30.947 19.694 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.878 -32.387 20.708 1.00 0.00 H new ATOM 129 N TYR A 28 -5.041 -29.551 20.076 1.00 0.00 N ATOM 130 CA TYR A 28 -5.321 -28.162 19.735 1.00 0.00 C ATOM 131 C TYR A 28 -5.987 -28.064 18.367 1.00 0.00 C ATOM 132 O TYR A 28 -5.431 -28.497 17.356 1.00 0.00 O ATOM 133 CB TYR A 28 -4.028 -27.332 19.756 1.00 0.00 C ATOM 134 CG TYR A 28 -4.131 -25.992 19.050 1.00 0.00 C ATOM 135 CD1 TYR A 28 -4.631 -24.871 19.707 1.00 0.00 C ATOM 136 CD2 TYR A 28 -3.729 -25.850 17.727 1.00 0.00 C ATOM 137 CE1 TYR A 28 -4.721 -23.649 19.063 1.00 0.00 C ATOM 138 CE2 TYR A 28 -3.817 -24.634 17.079 1.00 0.00 C ATOM 139 CZ TYR A 28 -4.317 -23.538 17.747 1.00 0.00 C ATOM 140 OH TYR A 28 -4.398 -22.324 17.101 1.00 0.00 O ATOM 0 H TYR A 28 -4.051 -29.762 20.201 1.00 0.00 H new ATOM 0 HA TYR A 28 -6.007 -27.761 20.482 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -3.737 -27.161 20.793 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -3.230 -27.913 19.293 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -4.953 -24.956 20.734 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -3.341 -26.707 17.196 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -5.105 -22.786 19.587 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -3.495 -24.542 16.052 1.00 0.00 H new ATOM 0 HH TYR A 28 -4.073 -22.420 16.182 1.00 0.00 H new ATOM 150 N ARG A 29 -7.183 -27.507 18.349 1.00 0.00 N ATOM 151 CA ARG A 29 -7.875 -27.224 17.107 1.00 0.00 C ATOM 152 C ARG A 29 -7.824 -25.726 16.844 1.00 0.00 C ATOM 153 O ARG A 29 -8.000 -24.933 17.764 1.00 0.00 O ATOM 154 CB ARG A 29 -9.332 -27.698 17.160 1.00 0.00 C ATOM 155 CG ARG A 29 -9.591 -28.798 18.177 1.00 0.00 C ATOM 156 CD ARG A 29 -10.818 -28.493 19.022 1.00 0.00 C ATOM 157 NE ARG A 29 -10.464 -27.956 20.334 1.00 0.00 N ATOM 158 CZ ARG A 29 -11.109 -28.254 21.459 1.00 0.00 C ATOM 159 NH1 ARG A 29 -12.085 -29.150 21.457 1.00 0.00 N ATOM 160 NH2 ARG A 29 -10.758 -27.678 22.602 1.00 0.00 N ATOM 0 H ARG A 29 -7.698 -27.240 19.188 1.00 0.00 H new ATOM 0 HA ARG A 29 -7.381 -27.764 16.299 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -9.972 -26.846 17.391 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -9.623 -28.056 16.172 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -9.730 -29.748 17.661 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -8.721 -28.911 18.823 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -11.450 -27.777 18.497 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -11.405 -29.403 19.150 1.00 0.00 H new ATOM 0 HE ARG A 29 -9.674 -27.313 20.391 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -12.347 -29.617 20.589 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -12.575 -29.373 22.324 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -9.992 -27.005 22.620 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -11.254 -27.908 23.463 1.00 0.00 H new ATOM 174 N PRO A 30 -7.570 -25.316 15.594 1.00 0.00 N ATOM 175 CA PRO A 30 -7.450 -23.898 15.224 1.00 0.00 C ATOM 176 C PRO A 30 -8.802 -23.179 15.141 1.00 0.00 C ATOM 177 O PRO A 30 -8.909 -22.108 14.534 1.00 0.00 O ATOM 178 CB PRO A 30 -6.775 -23.940 13.839 1.00 0.00 C ATOM 179 CG PRO A 30 -6.406 -25.373 13.605 1.00 0.00 C ATOM 180 CD PRO A 30 -7.348 -26.188 14.438 1.00 0.00 C ATOM 0 HA PRO A 30 -6.889 -23.339 15.973 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -7.451 -23.579 13.064 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -5.893 -23.301 13.815 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -6.496 -25.631 12.550 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -5.371 -25.560 13.891 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -8.275 -26.406 13.908 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -6.913 -27.145 14.727 1.00 0.00 H new ATOM 188 N ASP A 31 -9.822 -23.755 15.762 1.00 0.00 N ATOM 189 CA ASP A 31 -11.159 -23.174 15.740 1.00 0.00 C ATOM 190 C ASP A 31 -11.685 -22.973 17.157 1.00 0.00 C ATOM 191 O ASP A 31 -12.434 -23.802 17.677 1.00 0.00 O ATOM 192 CB ASP A 31 -12.119 -24.064 14.952 1.00 0.00 C ATOM 193 CG ASP A 31 -13.349 -23.309 14.486 1.00 0.00 C ATOM 194 OD1 ASP A 31 -13.219 -22.123 14.111 1.00 0.00 O ATOM 195 OD2 ASP A 31 -14.453 -23.897 14.483 1.00 0.00 O ATOM 0 H ASP A 31 -9.750 -24.626 16.288 1.00 0.00 H new ATOM 0 HA ASP A 31 -11.095 -22.203 15.250 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -11.600 -24.479 14.088 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -12.425 -24.905 15.574 1.00 0.00 H new ATOM 200 N ILE A 32 -11.268 -21.879 17.784 1.00 0.00 N ATOM 201 CA ILE A 32 -11.679 -21.554 19.149 1.00 0.00 C ATOM 202 C ILE A 32 -11.635 -20.044 19.362 1.00 0.00 C ATOM 203 O ILE A 32 -10.989 -19.324 18.597 1.00 0.00 O ATOM 204 CB ILE A 32 -10.789 -22.232 20.226 1.00 0.00 C ATOM 205 CG1 ILE A 32 -9.617 -23.001 19.602 1.00 0.00 C ATOM 206 CG2 ILE A 32 -11.628 -23.169 21.081 1.00 0.00 C ATOM 207 CD1 ILE A 32 -8.461 -22.126 19.166 1.00 0.00 C ATOM 0 H ILE A 32 -10.639 -21.194 17.365 1.00 0.00 H new ATOM 0 HA ILE A 32 -12.694 -21.934 19.264 1.00 0.00 H new ATOM 0 HB ILE A 32 -10.370 -21.442 20.850 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -9.252 -23.732 20.323 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -9.981 -23.558 18.739 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -10.995 -23.640 21.833 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -12.418 -22.602 21.574 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -12.073 -23.937 20.449 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -7.676 -22.748 18.736 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -8.807 -21.411 18.419 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -8.067 -21.588 20.028 1.00 0.00 H new ATOM 219 N ASN A 33 -12.306 -19.561 20.400 1.00 0.00 N ATOM 220 CA ASN A 33 -12.332 -18.127 20.681 1.00 0.00 C ATOM 221 C ASN A 33 -11.126 -17.709 21.505 1.00 0.00 C ATOM 222 O ASN A 33 -11.258 -17.247 22.637 1.00 0.00 O ATOM 223 CB ASN A 33 -13.619 -17.726 21.402 1.00 0.00 C ATOM 224 CG ASN A 33 -14.063 -16.320 21.035 1.00 0.00 C ATOM 225 OD1 ASN A 33 -14.108 -15.960 19.856 1.00 0.00 O ATOM 226 ND2 ASN A 33 -14.390 -15.516 22.034 1.00 0.00 N ATOM 0 H ASN A 33 -12.836 -20.133 21.057 1.00 0.00 H new ATOM 0 HA ASN A 33 -12.297 -17.609 19.722 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -14.410 -18.433 21.152 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -13.465 -17.788 22.479 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -14.692 -14.561 21.842 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -14.340 -15.851 22.996 1.00 0.00 H new ATOM 233 N GLN A 34 -9.951 -17.901 20.934 1.00 0.00 N ATOM 234 CA GLN A 34 -8.709 -17.460 21.551 1.00 0.00 C ATOM 235 C GLN A 34 -7.716 -17.083 20.466 1.00 0.00 C ATOM 236 O GLN A 34 -6.525 -16.918 20.720 1.00 0.00 O ATOM 237 CB GLN A 34 -8.123 -18.560 22.443 1.00 0.00 C ATOM 238 CG GLN A 34 -7.890 -19.873 21.714 1.00 0.00 C ATOM 239 CD GLN A 34 -6.449 -20.346 21.781 1.00 0.00 C ATOM 240 OE1 GLN A 34 -6.181 -21.511 22.075 1.00 0.00 O ATOM 241 NE2 GLN A 34 -5.514 -19.452 21.511 1.00 0.00 N ATOM 0 H GLN A 34 -9.828 -18.365 20.034 1.00 0.00 H new ATOM 0 HA GLN A 34 -8.915 -16.592 22.177 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -7.178 -18.213 22.860 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -8.797 -18.734 23.282 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -8.537 -20.639 22.142 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -8.180 -19.758 20.670 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -5.777 -18.496 21.271 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -4.530 -19.718 21.542 1.00 0.00 H new ATOM 250 N GLY A 35 -8.222 -16.949 19.250 1.00 0.00 N ATOM 251 CA GLY A 35 -7.370 -16.682 18.118 1.00 0.00 C ATOM 252 C GLY A 35 -7.584 -15.297 17.556 1.00 0.00 C ATOM 253 O GLY A 35 -8.527 -14.600 17.946 1.00 0.00 O ATOM 0 H GLY A 35 -9.215 -17.022 19.029 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -6.327 -16.794 18.416 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.560 -17.421 17.340 1.00 0.00 H new ATOM 257 N ASN A 36 -6.704 -14.908 16.648 1.00 0.00 N ATOM 258 CA ASN A 36 -6.739 -13.599 16.012 1.00 0.00 C ATOM 259 C ASN A 36 -5.583 -13.500 15.032 1.00 0.00 C ATOM 260 O ASN A 36 -4.825 -14.459 14.869 1.00 0.00 O ATOM 261 CB ASN A 36 -6.646 -12.465 17.048 1.00 0.00 C ATOM 262 CG ASN A 36 -5.353 -12.477 17.851 1.00 0.00 C ATOM 263 OD1 ASN A 36 -4.874 -13.527 18.282 1.00 0.00 O ATOM 264 ND2 ASN A 36 -4.792 -11.300 18.082 1.00 0.00 N ATOM 0 H ASN A 36 -5.936 -15.498 16.327 1.00 0.00 H new ATOM 0 HA ASN A 36 -7.689 -13.490 15.490 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -6.736 -11.507 16.535 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -7.490 -12.540 17.733 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -3.935 -11.243 18.633 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -5.217 -10.451 17.709 1.00 0.00 H new ATOM 271 N TYR A 37 -5.453 -12.360 14.370 1.00 0.00 N ATOM 272 CA TYR A 37 -4.311 -12.127 13.497 1.00 0.00 C ATOM 273 C TYR A 37 -3.103 -11.727 14.331 1.00 0.00 C ATOM 274 O TYR A 37 -3.158 -11.714 15.562 1.00 0.00 O ATOM 275 CB TYR A 37 -4.614 -11.031 12.462 1.00 0.00 C ATOM 276 CG TYR A 37 -5.874 -11.274 11.662 1.00 0.00 C ATOM 277 CD1 TYR A 37 -6.029 -12.433 10.916 1.00 0.00 C ATOM 278 CD2 TYR A 37 -6.906 -10.342 11.654 1.00 0.00 C ATOM 279 CE1 TYR A 37 -7.178 -12.660 10.186 1.00 0.00 C ATOM 280 CE2 TYR A 37 -8.059 -10.563 10.924 1.00 0.00 C ATOM 281 CZ TYR A 37 -8.188 -11.724 10.191 1.00 0.00 C ATOM 282 OH TYR A 37 -9.335 -11.952 9.464 1.00 0.00 O ATOM 0 H TYR A 37 -6.117 -11.588 14.419 1.00 0.00 H new ATOM 0 HA TYR A 37 -4.099 -13.051 12.959 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -4.701 -10.074 12.976 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -3.770 -10.949 11.777 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -5.239 -13.169 10.906 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -6.805 -9.432 12.227 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -7.285 -13.569 9.613 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -8.853 -9.831 10.928 1.00 0.00 H new ATOM 0 HH TYR A 37 -9.948 -11.196 9.575 1.00 0.00 H new ATOM 292 N LEU A 38 -2.021 -11.383 13.665 1.00 0.00 N ATOM 293 CA LEU A 38 -0.819 -10.952 14.348 1.00 0.00 C ATOM 294 C LEU A 38 -1.021 -9.555 14.927 1.00 0.00 C ATOM 295 O LEU A 38 -1.872 -8.794 14.462 1.00 0.00 O ATOM 296 CB LEU A 38 0.362 -10.963 13.369 1.00 0.00 C ATOM 297 CG LEU A 38 1.636 -11.666 13.861 1.00 0.00 C ATOM 298 CD1 LEU A 38 2.628 -10.654 14.407 1.00 0.00 C ATOM 299 CD2 LEU A 38 1.307 -12.715 14.913 1.00 0.00 C ATOM 0 H LEU A 38 -1.949 -11.394 12.648 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.603 -11.637 15.167 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.039 -11.444 12.446 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.612 -9.932 13.121 1.00 0.00 H new ATOM 0 HG LEU A 38 2.093 -12.172 13.010 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.524 -11.171 14.751 1.00 0.00 H new ATOM 0 HD12 LEU A 38 2.896 -9.947 13.622 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.177 -10.116 15.241 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.226 -13.198 15.245 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.821 -12.237 15.763 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.638 -13.462 14.485 1.00 0.00 H new ATOM 311 N THR A 39 -0.265 -9.231 15.958 1.00 0.00 N ATOM 312 CA THR A 39 -0.316 -7.909 16.552 1.00 0.00 C ATOM 313 C THR A 39 1.091 -7.336 16.647 1.00 0.00 C ATOM 314 O THR A 39 2.070 -8.078 16.555 1.00 0.00 O ATOM 315 CB THR A 39 -0.979 -7.932 17.950 1.00 0.00 C ATOM 316 OG1 THR A 39 -1.049 -6.604 18.488 1.00 0.00 O ATOM 317 CG2 THR A 39 -0.212 -8.831 18.909 1.00 0.00 C ATOM 0 H THR A 39 0.395 -9.869 16.404 1.00 0.00 H new ATOM 0 HA THR A 39 -0.928 -7.275 15.911 1.00 0.00 H new ATOM 0 HB THR A 39 -1.987 -8.331 17.834 1.00 0.00 H new ATOM 0 HG1 THR A 39 -1.472 -6.631 19.372 1.00 0.00 H new ATOM 0 HG21 THR A 39 -0.702 -8.826 19.883 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.192 -9.848 18.517 1.00 0.00 H new ATOM 0 HG23 THR A 39 0.809 -8.463 19.015 1.00 0.00 H new ATOM 325 N ALA A 40 1.195 -6.027 16.836 1.00 0.00 N ATOM 326 CA ALA A 40 2.492 -5.365 16.902 1.00 0.00 C ATOM 327 C ALA A 40 3.264 -5.818 18.135 1.00 0.00 C ATOM 328 O ALA A 40 4.494 -5.842 18.139 1.00 0.00 O ATOM 329 CB ALA A 40 2.322 -3.853 16.907 1.00 0.00 C ATOM 0 H ALA A 40 0.396 -5.402 16.946 1.00 0.00 H new ATOM 0 HA ALA A 40 3.063 -5.645 16.017 1.00 0.00 H new ATOM 0 HB1 ALA A 40 3.301 -3.377 16.957 1.00 0.00 H new ATOM 0 HB2 ALA A 40 1.813 -3.541 15.995 1.00 0.00 H new ATOM 0 HB3 ALA A 40 1.730 -3.556 17.773 1.00 0.00 H new ATOM 335 N ASN A 41 2.528 -6.185 19.176 1.00 0.00 N ATOM 336 CA ASN A 41 3.126 -6.678 20.415 1.00 0.00 C ATOM 337 C ASN A 41 3.787 -8.040 20.202 1.00 0.00 C ATOM 338 O ASN A 41 4.681 -8.436 20.948 1.00 0.00 O ATOM 339 CB ASN A 41 2.058 -6.788 21.505 1.00 0.00 C ATOM 340 CG ASN A 41 2.633 -6.663 22.901 1.00 0.00 C ATOM 341 OD1 ASN A 41 3.683 -6.054 23.103 1.00 0.00 O ATOM 342 ND2 ASN A 41 1.942 -7.240 23.872 1.00 0.00 N ATOM 0 H ASN A 41 1.509 -6.151 19.189 1.00 0.00 H new ATOM 0 HA ASN A 41 3.892 -5.968 20.727 1.00 0.00 H new ATOM 0 HB2 ASN A 41 1.309 -6.011 21.354 1.00 0.00 H new ATOM 0 HB3 ASN A 41 1.546 -7.746 21.412 1.00 0.00 H new ATOM 0 HD21 ASN A 41 2.276 -7.190 24.835 1.00 0.00 H new ATOM 0 HD22 ASN A 41 1.076 -7.735 23.657 1.00 0.00 H new ATOM 349 N ASP A 42 3.332 -8.757 19.182 1.00 0.00 N ATOM 350 CA ASP A 42 3.896 -10.062 18.855 1.00 0.00 C ATOM 351 C ASP A 42 5.132 -9.911 17.979 1.00 0.00 C ATOM 352 O ASP A 42 5.986 -10.795 17.926 1.00 0.00 O ATOM 353 CB ASP A 42 2.859 -10.942 18.155 1.00 0.00 C ATOM 354 CG ASP A 42 3.048 -12.415 18.463 1.00 0.00 C ATOM 355 OD1 ASP A 42 2.864 -12.814 19.630 1.00 0.00 O ATOM 356 OD2 ASP A 42 3.395 -13.184 17.547 1.00 0.00 O ATOM 0 H ASP A 42 2.575 -8.458 18.567 1.00 0.00 H new ATOM 0 HA ASP A 42 4.187 -10.545 19.788 1.00 0.00 H new ATOM 0 HB2 ASP A 42 1.859 -10.635 18.462 1.00 0.00 H new ATOM 0 HB3 ASP A 42 2.923 -10.788 17.078 1.00 0.00 H new ATOM 361 N VAL A 43 5.228 -8.773 17.295 1.00 0.00 N ATOM 362 CA VAL A 43 6.368 -8.483 16.428 1.00 0.00 C ATOM 363 C VAL A 43 7.619 -8.217 17.263 1.00 0.00 C ATOM 364 O VAL A 43 8.743 -8.463 16.827 1.00 0.00 O ATOM 365 CB VAL A 43 6.091 -7.266 15.513 1.00 0.00 C ATOM 366 CG1 VAL A 43 7.234 -7.055 14.534 1.00 0.00 C ATOM 367 CG2 VAL A 43 4.779 -7.442 14.765 1.00 0.00 C ATOM 0 H VAL A 43 4.526 -8.033 17.325 1.00 0.00 H new ATOM 0 HA VAL A 43 6.529 -9.358 15.798 1.00 0.00 H new ATOM 0 HB VAL A 43 6.012 -6.381 16.145 1.00 0.00 H new ATOM 0 HG11 VAL A 43 7.017 -6.194 13.901 1.00 0.00 H new ATOM 0 HG12 VAL A 43 8.157 -6.877 15.085 1.00 0.00 H new ATOM 0 HG13 VAL A 43 7.349 -7.943 13.912 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.604 -6.575 14.128 1.00 0.00 H new ATOM 0 HG22 VAL A 43 4.829 -8.340 14.150 1.00 0.00 H new ATOM 0 HG23 VAL A 43 3.962 -7.537 15.480 1.00 0.00 H new ATOM 377 N SER A 44 7.406 -7.743 18.480 1.00 0.00 N ATOM 378 CA SER A 44 8.490 -7.445 19.406 1.00 0.00 C ATOM 379 C SER A 44 9.219 -8.716 19.857 1.00 0.00 C ATOM 380 O SER A 44 10.206 -8.649 20.589 1.00 0.00 O ATOM 381 CB SER A 44 7.931 -6.694 20.610 1.00 0.00 C ATOM 382 OG SER A 44 6.811 -5.912 20.229 1.00 0.00 O ATOM 0 H SER A 44 6.477 -7.553 18.855 1.00 0.00 H new ATOM 0 HA SER A 44 9.221 -6.822 18.891 1.00 0.00 H new ATOM 0 HB2 SER A 44 7.641 -7.403 21.386 1.00 0.00 H new ATOM 0 HB3 SER A 44 8.702 -6.053 21.037 1.00 0.00 H new ATOM 0 HG SER A 44 6.462 -5.437 21.012 1.00 0.00 H new ATOM 388 N LYS A 45 8.716 -9.874 19.444 1.00 0.00 N ATOM 389 CA LYS A 45 9.310 -11.148 19.834 1.00 0.00 C ATOM 390 C LYS A 45 10.569 -11.467 19.021 1.00 0.00 C ATOM 391 O LYS A 45 11.322 -12.372 19.376 1.00 0.00 O ATOM 392 CB LYS A 45 8.292 -12.279 19.677 1.00 0.00 C ATOM 393 CG LYS A 45 7.088 -12.156 20.605 1.00 0.00 C ATOM 394 CD LYS A 45 6.259 -13.438 20.649 1.00 0.00 C ATOM 395 CE LYS A 45 6.332 -14.208 19.340 1.00 0.00 C ATOM 396 NZ LYS A 45 5.022 -14.791 18.956 1.00 0.00 N ATOM 0 H LYS A 45 7.899 -9.957 18.839 1.00 0.00 H new ATOM 0 HA LYS A 45 9.602 -11.062 20.881 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.943 -12.300 18.645 1.00 0.00 H new ATOM 0 HB3 LYS A 45 8.788 -13.231 19.865 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.430 -11.912 21.611 1.00 0.00 H new ATOM 0 HG3 LYS A 45 6.459 -11.330 20.273 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.613 -14.071 21.462 1.00 0.00 H new ATOM 0 HD3 LYS A 45 5.220 -13.191 20.867 1.00 0.00 H new ATOM 0 HE2 LYS A 45 6.677 -13.543 18.548 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.070 -15.005 19.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 5.155 -15.779 18.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 4.375 -14.758 19.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 4.617 -14.245 18.169 1.00 0.00 H new ATOM 410 N ILE A 46 10.796 -10.734 17.933 1.00 0.00 N ATOM 411 CA ILE A 46 11.972 -10.971 17.095 1.00 0.00 C ATOM 412 C ILE A 46 12.970 -9.821 17.196 1.00 0.00 C ATOM 413 O ILE A 46 12.765 -8.876 17.958 1.00 0.00 O ATOM 414 CB ILE A 46 11.604 -11.202 15.615 1.00 0.00 C ATOM 415 CG1 ILE A 46 10.699 -10.084 15.092 1.00 0.00 C ATOM 416 CG2 ILE A 46 10.935 -12.557 15.446 1.00 0.00 C ATOM 417 CD1 ILE A 46 11.330 -9.269 13.985 1.00 0.00 C ATOM 0 H ILE A 46 10.190 -9.979 17.613 1.00 0.00 H new ATOM 0 HA ILE A 46 12.434 -11.882 17.476 1.00 0.00 H new ATOM 0 HB ILE A 46 12.522 -11.189 15.028 1.00 0.00 H new ATOM 0 HG12 ILE A 46 9.769 -10.520 14.727 1.00 0.00 H new ATOM 0 HG13 ILE A 46 10.438 -9.422 15.917 1.00 0.00 H new ATOM 0 HG21 ILE A 46 10.680 -12.709 14.397 1.00 0.00 H new ATOM 0 HG22 ILE A 46 11.617 -13.343 15.771 1.00 0.00 H new ATOM 0 HG23 ILE A 46 10.028 -12.592 16.049 1.00 0.00 H new ATOM 0 HD11 ILE A 46 10.634 -8.495 13.661 1.00 0.00 H new ATOM 0 HD12 ILE A 46 12.245 -8.804 14.352 1.00 0.00 H new ATOM 0 HD13 ILE A 46 11.566 -9.920 13.143 1.00 0.00 H new ATOM 429 N ARG A 47 14.046 -9.903 16.417 1.00 0.00 N ATOM 430 CA ARG A 47 15.148 -8.951 16.513 1.00 0.00 C ATOM 431 C ARG A 47 15.692 -8.626 15.129 1.00 0.00 C ATOM 432 O ARG A 47 15.508 -9.396 14.185 1.00 0.00 O ATOM 433 CB ARG A 47 16.291 -9.521 17.367 1.00 0.00 C ATOM 434 CG ARG A 47 15.886 -9.924 18.773 1.00 0.00 C ATOM 435 CD ARG A 47 15.536 -8.714 19.622 1.00 0.00 C ATOM 436 NE ARG A 47 15.204 -9.088 20.995 1.00 0.00 N ATOM 437 CZ ARG A 47 13.958 -9.212 21.458 1.00 0.00 C ATOM 438 NH1 ARG A 47 12.923 -8.993 20.659 1.00 0.00 N ATOM 439 NH2 ARG A 47 13.753 -9.545 22.726 1.00 0.00 N ATOM 0 H ARG A 47 14.178 -10.624 15.708 1.00 0.00 H new ATOM 0 HA ARG A 47 14.761 -8.046 16.981 1.00 0.00 H new ATOM 0 HB2 ARG A 47 16.708 -10.391 16.859 1.00 0.00 H new ATOM 0 HB3 ARG A 47 17.086 -8.778 17.430 1.00 0.00 H new ATOM 0 HG2 ARG A 47 15.030 -10.597 18.727 1.00 0.00 H new ATOM 0 HG3 ARG A 47 16.700 -10.476 19.243 1.00 0.00 H new ATOM 0 HD2 ARG A 47 16.376 -8.020 19.628 1.00 0.00 H new ATOM 0 HD3 ARG A 47 14.692 -8.189 19.175 1.00 0.00 H new ATOM 0 HE ARG A 47 15.973 -9.266 21.641 1.00 0.00 H new ATOM 0 HH11 ARG A 47 13.077 -8.729 19.686 1.00 0.00 H new ATOM 0 HH12 ARG A 47 11.973 -9.089 21.017 1.00 0.00 H new ATOM 0 HH21 ARG A 47 14.547 -9.706 23.346 1.00 0.00 H new ATOM 0 HH22 ARG A 47 12.801 -9.640 23.081 1.00 0.00 H new ATOM 453 N VAL A 48 16.371 -7.495 15.021 1.00 0.00 N ATOM 454 CA VAL A 48 17.036 -7.122 13.782 1.00 0.00 C ATOM 455 C VAL A 48 18.376 -7.845 13.673 1.00 0.00 C ATOM 456 O VAL A 48 19.244 -7.703 14.535 1.00 0.00 O ATOM 457 CB VAL A 48 17.270 -5.598 13.671 1.00 0.00 C ATOM 458 CG1 VAL A 48 17.176 -5.154 12.221 1.00 0.00 C ATOM 459 CG2 VAL A 48 16.279 -4.826 14.532 1.00 0.00 C ATOM 0 H VAL A 48 16.476 -6.819 15.777 1.00 0.00 H new ATOM 0 HA VAL A 48 16.377 -7.417 12.966 1.00 0.00 H new ATOM 0 HB VAL A 48 18.273 -5.381 14.039 1.00 0.00 H new ATOM 0 HG11 VAL A 48 17.343 -4.079 12.158 1.00 0.00 H new ATOM 0 HG12 VAL A 48 17.932 -5.673 11.632 1.00 0.00 H new ATOM 0 HG13 VAL A 48 16.186 -5.391 11.831 1.00 0.00 H new ATOM 0 HG21 VAL A 48 16.468 -3.757 14.434 1.00 0.00 H new ATOM 0 HG22 VAL A 48 15.263 -5.047 14.204 1.00 0.00 H new ATOM 0 HG23 VAL A 48 16.396 -5.121 15.575 1.00 0.00 H new ATOM 469 N GLY A 49 18.533 -8.622 12.616 1.00 0.00 N ATOM 470 CA GLY A 49 19.728 -9.428 12.449 1.00 0.00 C ATOM 471 C GLY A 49 19.464 -10.877 12.776 1.00 0.00 C ATOM 472 O GLY A 49 20.346 -11.729 12.647 1.00 0.00 O ATOM 0 H GLY A 49 17.850 -8.712 11.863 1.00 0.00 H new ATOM 0 HA2 GLY A 49 20.085 -9.344 11.422 1.00 0.00 H new ATOM 0 HA3 GLY A 49 20.519 -9.046 13.094 1.00 0.00 H new ATOM 476 N MET A 50 18.241 -11.155 13.202 1.00 0.00 N ATOM 477 CA MET A 50 17.804 -12.520 13.423 1.00 0.00 C ATOM 478 C MET A 50 17.761 -13.255 12.091 1.00 0.00 C ATOM 479 O MET A 50 17.485 -12.646 11.055 1.00 0.00 O ATOM 480 CB MET A 50 16.415 -12.538 14.063 1.00 0.00 C ATOM 481 CG MET A 50 16.422 -12.720 15.572 1.00 0.00 C ATOM 482 SD MET A 50 14.796 -13.162 16.214 1.00 0.00 S ATOM 483 CE MET A 50 15.220 -13.724 17.862 1.00 0.00 C ATOM 0 H MET A 50 17.533 -10.448 13.401 1.00 0.00 H new ATOM 0 HA MET A 50 18.505 -13.013 14.096 1.00 0.00 H new ATOM 0 HB2 MET A 50 15.906 -11.604 13.824 1.00 0.00 H new ATOM 0 HB3 MET A 50 15.832 -13.343 13.615 1.00 0.00 H new ATOM 0 HG2 MET A 50 17.139 -13.496 15.839 1.00 0.00 H new ATOM 0 HG3 MET A 50 16.759 -11.798 16.046 1.00 0.00 H new ATOM 0 HE1 MET A 50 14.315 -14.032 18.385 1.00 0.00 H new ATOM 0 HE2 MET A 50 15.905 -14.569 17.793 1.00 0.00 H new ATOM 0 HE3 MET A 50 15.699 -12.913 18.411 1.00 0.00 H new ATOM 493 N THR A 51 18.047 -14.545 12.115 1.00 0.00 N ATOM 494 CA THR A 51 18.002 -15.353 10.915 1.00 0.00 C ATOM 495 C THR A 51 16.557 -15.713 10.605 1.00 0.00 C ATOM 496 O THR A 51 15.737 -15.779 11.515 1.00 0.00 O ATOM 497 CB THR A 51 18.845 -16.628 11.092 1.00 0.00 C ATOM 498 OG1 THR A 51 19.348 -16.681 12.436 1.00 0.00 O ATOM 499 CG2 THR A 51 20.011 -16.651 10.112 1.00 0.00 C ATOM 0 H THR A 51 18.314 -15.055 12.957 1.00 0.00 H new ATOM 0 HA THR A 51 18.418 -14.784 10.084 1.00 0.00 H new ATOM 0 HB THR A 51 18.212 -17.493 10.894 1.00 0.00 H new ATOM 0 HG1 THR A 51 20.021 -17.390 12.506 1.00 0.00 H new ATOM 0 HG21 THR A 51 20.591 -17.562 10.258 1.00 0.00 H new ATOM 0 HG22 THR A 51 19.629 -16.623 9.091 1.00 0.00 H new ATOM 0 HG23 THR A 51 20.648 -15.784 10.285 1.00 0.00 H new ATOM 507 N GLN A 52 16.256 -15.920 9.328 1.00 0.00 N ATOM 508 CA GLN A 52 14.897 -16.216 8.877 1.00 0.00 C ATOM 509 C GLN A 52 14.268 -17.336 9.700 1.00 0.00 C ATOM 510 O GLN A 52 13.115 -17.240 10.126 1.00 0.00 O ATOM 511 CB GLN A 52 14.912 -16.600 7.397 1.00 0.00 C ATOM 512 CG GLN A 52 13.704 -16.093 6.627 1.00 0.00 C ATOM 513 CD GLN A 52 13.256 -17.063 5.553 1.00 0.00 C ATOM 514 OE1 GLN A 52 12.873 -18.193 5.844 1.00 0.00 O ATOM 515 NE2 GLN A 52 13.294 -16.630 4.303 1.00 0.00 N ATOM 0 H GLN A 52 16.944 -15.888 8.576 1.00 0.00 H new ATOM 0 HA GLN A 52 14.293 -15.319 9.014 1.00 0.00 H new ATOM 0 HB2 GLN A 52 15.818 -16.206 6.937 1.00 0.00 H new ATOM 0 HB3 GLN A 52 14.958 -17.686 7.312 1.00 0.00 H new ATOM 0 HG2 GLN A 52 12.882 -15.918 7.321 1.00 0.00 H new ATOM 0 HG3 GLN A 52 13.945 -15.134 6.169 1.00 0.00 H new ATOM 0 HE21 GLN A 52 13.618 -15.684 4.100 1.00 0.00 H new ATOM 0 HE22 GLN A 52 12.999 -17.242 3.542 1.00 0.00 H new ATOM 524 N GLN A 53 15.052 -18.374 9.958 1.00 0.00 N ATOM 525 CA GLN A 53 14.568 -19.527 10.701 1.00 0.00 C ATOM 526 C GLN A 53 14.314 -19.150 12.153 1.00 0.00 C ATOM 527 O GLN A 53 13.352 -19.602 12.763 1.00 0.00 O ATOM 528 CB GLN A 53 15.572 -20.682 10.623 1.00 0.00 C ATOM 529 CG GLN A 53 15.132 -21.812 9.704 1.00 0.00 C ATOM 530 CD GLN A 53 14.650 -21.314 8.354 1.00 0.00 C ATOM 531 OE1 GLN A 53 13.457 -21.098 8.146 1.00 0.00 O ATOM 532 NE2 GLN A 53 15.573 -21.147 7.421 1.00 0.00 N ATOM 0 H GLN A 53 16.026 -18.440 9.663 1.00 0.00 H new ATOM 0 HA GLN A 53 13.630 -19.855 10.252 1.00 0.00 H new ATOM 0 HB2 GLN A 53 16.531 -20.296 10.277 1.00 0.00 H new ATOM 0 HB3 GLN A 53 15.732 -21.081 11.625 1.00 0.00 H new ATOM 0 HG2 GLN A 53 15.964 -22.500 9.557 1.00 0.00 H new ATOM 0 HG3 GLN A 53 14.333 -22.376 10.185 1.00 0.00 H new ATOM 0 HE21 GLN A 53 16.553 -21.337 7.633 1.00 0.00 H new ATOM 0 HE22 GLN A 53 15.305 -20.828 6.490 1.00 0.00 H new ATOM 541 N GLN A 54 15.176 -18.296 12.690 1.00 0.00 N ATOM 542 CA GLN A 54 15.070 -17.865 14.078 1.00 0.00 C ATOM 543 C GLN A 54 13.902 -16.900 14.246 1.00 0.00 C ATOM 544 O GLN A 54 13.251 -16.876 15.288 1.00 0.00 O ATOM 545 CB GLN A 54 16.373 -17.202 14.537 1.00 0.00 C ATOM 546 CG GLN A 54 17.355 -18.166 15.187 1.00 0.00 C ATOM 547 CD GLN A 54 17.583 -19.424 14.368 1.00 0.00 C ATOM 548 OE1 GLN A 54 17.287 -20.530 14.814 1.00 0.00 O ATOM 549 NE2 GLN A 54 18.125 -19.264 13.168 1.00 0.00 N ATOM 0 H GLN A 54 15.960 -17.886 12.182 1.00 0.00 H new ATOM 0 HA GLN A 54 14.891 -18.744 14.697 1.00 0.00 H new ATOM 0 HB2 GLN A 54 16.853 -16.732 13.679 1.00 0.00 H new ATOM 0 HB3 GLN A 54 16.136 -16.407 15.244 1.00 0.00 H new ATOM 0 HG2 GLN A 54 18.308 -17.659 15.336 1.00 0.00 H new ATOM 0 HG3 GLN A 54 16.984 -18.444 16.173 1.00 0.00 H new ATOM 0 HE21 GLN A 54 18.357 -18.329 12.834 1.00 0.00 H new ATOM 0 HE22 GLN A 54 18.310 -20.076 12.580 1.00 0.00 H new ATOM 558 N VAL A 55 13.649 -16.107 13.212 1.00 0.00 N ATOM 559 CA VAL A 55 12.495 -15.222 13.186 1.00 0.00 C ATOM 560 C VAL A 55 11.218 -16.047 13.259 1.00 0.00 C ATOM 561 O VAL A 55 10.357 -15.806 14.107 1.00 0.00 O ATOM 562 CB VAL A 55 12.473 -14.351 11.908 1.00 0.00 C ATOM 563 CG1 VAL A 55 11.156 -13.596 11.785 1.00 0.00 C ATOM 564 CG2 VAL A 55 13.644 -13.382 11.899 1.00 0.00 C ATOM 0 H VAL A 55 14.232 -16.060 12.377 1.00 0.00 H new ATOM 0 HA VAL A 55 12.563 -14.557 14.047 1.00 0.00 H new ATOM 0 HB VAL A 55 12.566 -15.014 11.048 1.00 0.00 H new ATOM 0 HG11 VAL A 55 11.167 -12.991 10.878 1.00 0.00 H new ATOM 0 HG12 VAL A 55 10.332 -14.308 11.737 1.00 0.00 H new ATOM 0 HG13 VAL A 55 11.026 -12.948 12.652 1.00 0.00 H new ATOM 0 HG21 VAL A 55 13.610 -12.779 10.992 1.00 0.00 H new ATOM 0 HG22 VAL A 55 13.584 -12.730 12.771 1.00 0.00 H new ATOM 0 HG23 VAL A 55 14.579 -13.941 11.928 1.00 0.00 H new ATOM 574 N ALA A 56 11.123 -17.040 12.386 1.00 0.00 N ATOM 575 CA ALA A 56 9.969 -17.925 12.370 1.00 0.00 C ATOM 576 C ALA A 56 9.884 -18.724 13.666 1.00 0.00 C ATOM 577 O ALA A 56 8.795 -18.983 14.174 1.00 0.00 O ATOM 578 CB ALA A 56 10.030 -18.855 11.170 1.00 0.00 C ATOM 0 H ALA A 56 11.830 -17.252 11.682 1.00 0.00 H new ATOM 0 HA ALA A 56 9.069 -17.315 12.288 1.00 0.00 H new ATOM 0 HB1 ALA A 56 9.159 -19.511 11.173 1.00 0.00 H new ATOM 0 HB2 ALA A 56 10.037 -18.266 10.253 1.00 0.00 H new ATOM 0 HB3 ALA A 56 10.937 -19.457 11.222 1.00 0.00 H new ATOM 584 N TYR A 57 11.038 -19.100 14.201 1.00 0.00 N ATOM 585 CA TYR A 57 11.101 -19.844 15.453 1.00 0.00 C ATOM 586 C TYR A 57 10.555 -19.022 16.617 1.00 0.00 C ATOM 587 O TYR A 57 9.777 -19.521 17.431 1.00 0.00 O ATOM 588 CB TYR A 57 12.543 -20.260 15.754 1.00 0.00 C ATOM 589 CG TYR A 57 12.848 -21.702 15.414 1.00 0.00 C ATOM 590 CD1 TYR A 57 12.077 -22.734 15.933 1.00 0.00 C ATOM 591 CD2 TYR A 57 13.905 -22.027 14.577 1.00 0.00 C ATOM 592 CE1 TYR A 57 12.354 -24.051 15.626 1.00 0.00 C ATOM 593 CE2 TYR A 57 14.189 -23.343 14.264 1.00 0.00 C ATOM 594 CZ TYR A 57 13.410 -24.352 14.792 1.00 0.00 C ATOM 595 OH TYR A 57 13.686 -25.664 14.482 1.00 0.00 O ATOM 0 H TYR A 57 11.948 -18.901 13.785 1.00 0.00 H new ATOM 0 HA TYR A 57 10.482 -20.734 15.338 1.00 0.00 H new ATOM 0 HB2 TYR A 57 13.221 -19.614 15.196 1.00 0.00 H new ATOM 0 HB3 TYR A 57 12.745 -20.096 16.813 1.00 0.00 H new ATOM 0 HD1 TYR A 57 11.249 -22.503 16.586 1.00 0.00 H new ATOM 0 HD2 TYR A 57 14.516 -21.239 14.163 1.00 0.00 H new ATOM 0 HE1 TYR A 57 11.746 -24.843 16.038 1.00 0.00 H new ATOM 0 HE2 TYR A 57 15.015 -23.580 13.610 1.00 0.00 H new ATOM 0 HH TYR A 57 14.460 -25.703 13.883 1.00 0.00 H new ATOM 605 N ALA A 58 10.967 -17.763 16.694 1.00 0.00 N ATOM 606 CA ALA A 58 10.568 -16.893 17.792 1.00 0.00 C ATOM 607 C ALA A 58 9.135 -16.395 17.621 1.00 0.00 C ATOM 608 O ALA A 58 8.308 -16.527 18.526 1.00 0.00 O ATOM 609 CB ALA A 58 11.529 -15.717 17.908 1.00 0.00 C ATOM 0 H ALA A 58 11.578 -17.321 16.007 1.00 0.00 H new ATOM 0 HA ALA A 58 10.607 -17.477 18.712 1.00 0.00 H new ATOM 0 HB1 ALA A 58 11.220 -15.074 18.732 1.00 0.00 H new ATOM 0 HB2 ALA A 58 12.537 -16.088 18.095 1.00 0.00 H new ATOM 0 HB3 ALA A 58 11.519 -15.146 16.979 1.00 0.00 H new ATOM 615 N LEU A 59 8.841 -15.836 16.456 1.00 0.00 N ATOM 616 CA LEU A 59 7.537 -15.233 16.205 1.00 0.00 C ATOM 617 C LEU A 59 6.460 -16.297 16.027 1.00 0.00 C ATOM 618 O LEU A 59 5.320 -16.121 16.460 1.00 0.00 O ATOM 619 CB LEU A 59 7.593 -14.335 14.968 1.00 0.00 C ATOM 620 CG LEU A 59 7.026 -12.927 15.163 1.00 0.00 C ATOM 621 CD1 LEU A 59 7.610 -11.969 14.140 1.00 0.00 C ATOM 622 CD2 LEU A 59 5.509 -12.942 15.065 1.00 0.00 C ATOM 0 H LEU A 59 9.487 -15.787 15.668 1.00 0.00 H new ATOM 0 HA LEU A 59 7.278 -14.628 17.074 1.00 0.00 H new ATOM 0 HB2 LEU A 59 8.631 -14.251 14.646 1.00 0.00 H new ATOM 0 HB3 LEU A 59 7.047 -14.821 14.160 1.00 0.00 H new ATOM 0 HG LEU A 59 7.305 -12.583 16.159 1.00 0.00 H new ATOM 0 HD11 LEU A 59 7.194 -10.973 14.295 1.00 0.00 H new ATOM 0 HD12 LEU A 59 8.693 -11.932 14.253 1.00 0.00 H new ATOM 0 HD13 LEU A 59 7.362 -12.313 13.136 1.00 0.00 H new ATOM 0 HD21 LEU A 59 5.125 -11.932 15.206 1.00 0.00 H new ATOM 0 HD22 LEU A 59 5.211 -13.309 14.083 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.101 -13.596 15.836 1.00 0.00 H new ATOM 634 N GLY A 60 6.833 -17.408 15.419 1.00 0.00 N ATOM 635 CA GLY A 60 5.862 -18.428 15.087 1.00 0.00 C ATOM 636 C GLY A 60 5.374 -18.271 13.666 1.00 0.00 C ATOM 637 O GLY A 60 4.252 -18.648 13.331 1.00 0.00 O ATOM 0 H GLY A 60 7.792 -17.624 15.148 1.00 0.00 H new ATOM 0 HA2 GLY A 60 6.308 -19.414 15.215 1.00 0.00 H new ATOM 0 HA3 GLY A 60 5.018 -18.368 15.774 1.00 0.00 H new ATOM 641 N THR A 61 6.229 -17.696 12.834 1.00 0.00 N ATOM 642 CA THR A 61 5.903 -17.422 11.447 1.00 0.00 C ATOM 643 C THR A 61 5.843 -18.700 10.617 1.00 0.00 C ATOM 644 O THR A 61 6.686 -19.589 10.761 1.00 0.00 O ATOM 645 CB THR A 61 6.942 -16.465 10.837 1.00 0.00 C ATOM 646 OG1 THR A 61 7.387 -15.543 11.842 1.00 0.00 O ATOM 647 CG2 THR A 61 6.369 -15.702 9.649 1.00 0.00 C ATOM 0 H THR A 61 7.169 -17.407 13.104 1.00 0.00 H new ATOM 0 HA THR A 61 4.917 -16.958 11.430 1.00 0.00 H new ATOM 0 HB THR A 61 7.783 -17.057 10.477 1.00 0.00 H new ATOM 0 HG1 THR A 61 8.050 -14.933 11.456 1.00 0.00 H new ATOM 0 HG21 THR A 61 7.130 -15.036 9.243 1.00 0.00 H new ATOM 0 HG22 THR A 61 6.057 -16.408 8.879 1.00 0.00 H new ATOM 0 HG23 THR A 61 5.509 -15.116 9.974 1.00 0.00 H new ATOM 655 N PRO A 62 4.816 -18.821 9.765 1.00 0.00 N ATOM 656 CA PRO A 62 4.734 -19.897 8.783 1.00 0.00 C ATOM 657 C PRO A 62 5.844 -19.773 7.746 1.00 0.00 C ATOM 658 O PRO A 62 6.149 -18.669 7.289 1.00 0.00 O ATOM 659 CB PRO A 62 3.363 -19.696 8.121 1.00 0.00 C ATOM 660 CG PRO A 62 2.613 -18.784 9.032 1.00 0.00 C ATOM 661 CD PRO A 62 3.649 -17.930 9.700 1.00 0.00 C ATOM 0 HA PRO A 62 4.846 -20.881 9.237 1.00 0.00 H new ATOM 0 HB2 PRO A 62 3.467 -19.260 7.127 1.00 0.00 H new ATOM 0 HB3 PRO A 62 2.842 -20.646 8.000 1.00 0.00 H new ATOM 0 HG2 PRO A 62 1.902 -18.173 8.475 1.00 0.00 H new ATOM 0 HG3 PRO A 62 2.040 -19.350 9.767 1.00 0.00 H new ATOM 0 HD2 PRO A 62 3.861 -17.028 9.126 1.00 0.00 H new ATOM 0 HD3 PRO A 62 3.330 -17.609 10.692 1.00 0.00 H new ATOM 669 N LEU A 63 6.453 -20.894 7.387 1.00 0.00 N ATOM 670 CA LEU A 63 7.541 -20.886 6.420 1.00 0.00 C ATOM 671 C LEU A 63 7.028 -20.430 5.058 1.00 0.00 C ATOM 672 O LEU A 63 5.979 -20.881 4.596 1.00 0.00 O ATOM 673 CB LEU A 63 8.184 -22.271 6.322 1.00 0.00 C ATOM 674 CG LEU A 63 8.877 -22.751 7.601 1.00 0.00 C ATOM 675 CD1 LEU A 63 9.526 -24.107 7.384 1.00 0.00 C ATOM 676 CD2 LEU A 63 9.914 -21.736 8.062 1.00 0.00 C ATOM 0 H LEU A 63 6.214 -21.817 7.749 1.00 0.00 H new ATOM 0 HA LEU A 63 8.303 -20.183 6.756 1.00 0.00 H new ATOM 0 HB2 LEU A 63 7.415 -22.994 6.049 1.00 0.00 H new ATOM 0 HB3 LEU A 63 8.914 -22.261 5.512 1.00 0.00 H new ATOM 0 HG LEU A 63 8.121 -22.852 8.379 1.00 0.00 H new ATOM 0 HD11 LEU A 63 10.012 -24.429 8.305 1.00 0.00 H new ATOM 0 HD12 LEU A 63 8.764 -24.834 7.102 1.00 0.00 H new ATOM 0 HD13 LEU A 63 10.268 -24.032 6.589 1.00 0.00 H new ATOM 0 HD21 LEU A 63 10.395 -22.095 8.972 1.00 0.00 H new ATOM 0 HD22 LEU A 63 10.664 -21.603 7.283 1.00 0.00 H new ATOM 0 HD23 LEU A 63 9.426 -20.782 8.262 1.00 0.00 H new ATOM 688 N MET A 64 7.767 -19.535 4.425 1.00 0.00 N ATOM 689 CA MET A 64 7.307 -18.898 3.200 1.00 0.00 C ATOM 690 C MET A 64 7.824 -19.628 1.969 1.00 0.00 C ATOM 691 O MET A 64 8.851 -20.306 2.016 1.00 0.00 O ATOM 692 CB MET A 64 7.753 -17.439 3.158 1.00 0.00 C ATOM 693 CG MET A 64 6.612 -16.458 2.943 1.00 0.00 C ATOM 694 SD MET A 64 5.116 -17.249 2.322 1.00 0.00 S ATOM 695 CE MET A 64 3.887 -16.024 2.767 1.00 0.00 C ATOM 0 H MET A 64 8.689 -19.232 4.738 1.00 0.00 H new ATOM 0 HA MET A 64 6.218 -18.942 3.194 1.00 0.00 H new ATOM 0 HB2 MET A 64 8.259 -17.196 4.092 1.00 0.00 H new ATOM 0 HB3 MET A 64 8.483 -17.314 2.359 1.00 0.00 H new ATOM 0 HG2 MET A 64 6.388 -15.957 3.885 1.00 0.00 H new ATOM 0 HG3 MET A 64 6.929 -15.688 2.240 1.00 0.00 H new ATOM 0 HE1 MET A 64 2.902 -16.365 2.450 1.00 0.00 H new ATOM 0 HE2 MET A 64 3.891 -15.881 3.848 1.00 0.00 H new ATOM 0 HE3 MET A 64 4.120 -15.080 2.275 1.00 0.00 H new ATOM 705 N SER A 65 7.103 -19.476 0.868 1.00 0.00 N ATOM 706 CA SER A 65 7.483 -20.086 -0.394 1.00 0.00 C ATOM 707 C SER A 65 7.751 -19.009 -1.442 1.00 0.00 C ATOM 708 O SER A 65 6.889 -18.694 -2.262 1.00 0.00 O ATOM 709 CB SER A 65 6.372 -21.026 -0.865 1.00 0.00 C ATOM 710 OG SER A 65 5.205 -20.868 -0.070 1.00 0.00 O ATOM 0 H SER A 65 6.243 -18.929 0.826 1.00 0.00 H new ATOM 0 HA SER A 65 8.398 -20.661 -0.253 1.00 0.00 H new ATOM 0 HB2 SER A 65 6.136 -20.822 -1.909 1.00 0.00 H new ATOM 0 HB3 SER A 65 6.717 -22.059 -0.812 1.00 0.00 H new ATOM 0 HG SER A 65 4.507 -21.477 -0.389 1.00 0.00 H new ATOM 716 N ASP A 66 8.952 -18.444 -1.407 1.00 0.00 N ATOM 717 CA ASP A 66 9.329 -17.379 -2.327 1.00 0.00 C ATOM 718 C ASP A 66 10.711 -17.656 -2.907 1.00 0.00 C ATOM 719 O ASP A 66 11.699 -17.019 -2.535 1.00 0.00 O ATOM 720 CB ASP A 66 9.312 -16.025 -1.615 1.00 0.00 C ATOM 721 CG ASP A 66 8.212 -15.121 -2.130 1.00 0.00 C ATOM 722 OD1 ASP A 66 8.454 -14.369 -3.094 1.00 0.00 O ATOM 723 OD2 ASP A 66 7.094 -15.161 -1.578 1.00 0.00 O ATOM 0 H ASP A 66 9.684 -18.708 -0.748 1.00 0.00 H new ATOM 0 HA ASP A 66 8.605 -17.348 -3.141 1.00 0.00 H new ATOM 0 HB2 ASP A 66 9.180 -16.181 -0.544 1.00 0.00 H new ATOM 0 HB3 ASP A 66 10.276 -15.534 -1.749 1.00 0.00 H new ATOM 728 N PRO A 67 10.790 -18.610 -3.848 1.00 0.00 N ATOM 729 CA PRO A 67 12.055 -19.098 -4.408 1.00 0.00 C ATOM 730 C PRO A 67 12.661 -18.117 -5.400 1.00 0.00 C ATOM 731 O PRO A 67 13.756 -18.330 -5.920 1.00 0.00 O ATOM 732 CB PRO A 67 11.657 -20.397 -5.130 1.00 0.00 C ATOM 733 CG PRO A 67 10.226 -20.633 -4.780 1.00 0.00 C ATOM 734 CD PRO A 67 9.650 -19.290 -4.463 1.00 0.00 C ATOM 0 HA PRO A 67 12.810 -19.237 -3.635 1.00 0.00 H new ATOM 0 HB2 PRO A 67 11.785 -20.300 -6.208 1.00 0.00 H new ATOM 0 HB3 PRO A 67 12.281 -21.231 -4.808 1.00 0.00 H new ATOM 0 HG2 PRO A 67 9.694 -21.100 -5.609 1.00 0.00 H new ATOM 0 HG3 PRO A 67 10.139 -21.306 -3.927 1.00 0.00 H new ATOM 0 HD2 PRO A 67 9.301 -18.774 -5.357 1.00 0.00 H new ATOM 0 HD3 PRO A 67 8.801 -19.360 -3.783 1.00 0.00 H new ATOM 742 N PHE A 68 11.937 -17.040 -5.651 1.00 0.00 N ATOM 743 CA PHE A 68 12.371 -16.032 -6.610 1.00 0.00 C ATOM 744 C PHE A 68 13.583 -15.259 -6.095 1.00 0.00 C ATOM 745 O PHE A 68 14.305 -14.634 -6.872 1.00 0.00 O ATOM 746 CB PHE A 68 11.232 -15.068 -6.929 1.00 0.00 C ATOM 747 CG PHE A 68 11.016 -14.882 -8.401 1.00 0.00 C ATOM 748 CD1 PHE A 68 10.184 -15.738 -9.105 1.00 0.00 C ATOM 749 CD2 PHE A 68 11.648 -13.857 -9.084 1.00 0.00 C ATOM 750 CE1 PHE A 68 9.986 -15.570 -10.461 1.00 0.00 C ATOM 751 CE2 PHE A 68 11.453 -13.686 -10.440 1.00 0.00 C ATOM 752 CZ PHE A 68 10.621 -14.544 -11.129 1.00 0.00 C ATOM 0 H PHE A 68 11.043 -16.838 -5.204 1.00 0.00 H new ATOM 0 HA PHE A 68 12.662 -16.551 -7.523 1.00 0.00 H new ATOM 0 HB2 PHE A 68 10.312 -15.439 -6.477 1.00 0.00 H new ATOM 0 HB3 PHE A 68 11.444 -14.101 -6.473 1.00 0.00 H new ATOM 0 HD1 PHE A 68 9.686 -16.544 -8.588 1.00 0.00 H new ATOM 0 HD2 PHE A 68 12.301 -13.183 -8.550 1.00 0.00 H new ATOM 0 HE1 PHE A 68 9.334 -16.242 -10.999 1.00 0.00 H new ATOM 0 HE2 PHE A 68 11.951 -12.882 -10.961 1.00 0.00 H new ATOM 0 HZ PHE A 68 10.467 -14.412 -12.190 1.00 0.00 H new ATOM 762 N GLY A 69 13.803 -15.298 -4.789 1.00 0.00 N ATOM 763 CA GLY A 69 14.946 -14.618 -4.217 1.00 0.00 C ATOM 764 C GLY A 69 14.522 -13.376 -3.480 1.00 0.00 C ATOM 765 O GLY A 69 15.330 -12.480 -3.215 1.00 0.00 O ATOM 0 H GLY A 69 13.212 -15.787 -4.117 1.00 0.00 H new ATOM 0 HA2 GLY A 69 15.469 -15.289 -3.535 1.00 0.00 H new ATOM 0 HA3 GLY A 69 15.649 -14.354 -5.007 1.00 0.00 H new ATOM 769 N THR A 70 13.243 -13.334 -3.151 1.00 0.00 N ATOM 770 CA THR A 70 12.659 -12.211 -2.455 1.00 0.00 C ATOM 771 C THR A 70 13.098 -12.194 -0.996 1.00 0.00 C ATOM 772 O THR A 70 12.630 -12.996 -0.191 1.00 0.00 O ATOM 773 CB THR A 70 11.125 -12.280 -2.528 1.00 0.00 C ATOM 774 OG1 THR A 70 10.741 -13.272 -3.493 1.00 0.00 O ATOM 775 CG2 THR A 70 10.534 -10.932 -2.912 1.00 0.00 C ATOM 0 H THR A 70 12.582 -14.082 -3.361 1.00 0.00 H new ATOM 0 HA THR A 70 13.003 -11.296 -2.938 1.00 0.00 H new ATOM 0 HB THR A 70 10.741 -12.550 -1.544 1.00 0.00 H new ATOM 0 HG1 THR A 70 9.823 -13.564 -3.314 1.00 0.00 H new ATOM 0 HG21 THR A 70 9.448 -11.010 -2.956 1.00 0.00 H new ATOM 0 HG22 THR A 70 10.814 -10.187 -2.168 1.00 0.00 H new ATOM 0 HG23 THR A 70 10.916 -10.632 -3.888 1.00 0.00 H new ATOM 783 N ASN A 71 13.999 -11.280 -0.658 1.00 0.00 N ATOM 784 CA ASN A 71 14.535 -11.209 0.696 1.00 0.00 C ATOM 785 C ASN A 71 13.715 -10.247 1.542 1.00 0.00 C ATOM 786 O ASN A 71 14.247 -9.527 2.387 1.00 0.00 O ATOM 787 CB ASN A 71 16.003 -10.778 0.679 1.00 0.00 C ATOM 788 CG ASN A 71 16.953 -11.943 0.470 1.00 0.00 C ATOM 789 OD1 ASN A 71 17.611 -12.399 1.401 1.00 0.00 O ATOM 790 ND2 ASN A 71 17.037 -12.428 -0.758 1.00 0.00 N ATOM 0 H ASN A 71 14.373 -10.580 -1.299 1.00 0.00 H new ATOM 0 HA ASN A 71 14.474 -12.204 1.137 1.00 0.00 H new ATOM 0 HB2 ASN A 71 16.153 -10.045 -0.114 1.00 0.00 H new ATOM 0 HB3 ASN A 71 16.243 -10.283 1.620 1.00 0.00 H new ATOM 0 HD21 ASN A 71 17.664 -13.207 -0.957 1.00 0.00 H new ATOM 0 HD22 ASN A 71 16.474 -12.023 -1.506 1.00 0.00 H new ATOM 797 N THR A 72 12.414 -10.238 1.299 1.00 0.00 N ATOM 798 CA THR A 72 11.499 -9.413 2.061 1.00 0.00 C ATOM 799 C THR A 72 10.277 -10.221 2.472 1.00 0.00 C ATOM 800 O THR A 72 9.642 -10.877 1.644 1.00 0.00 O ATOM 801 CB THR A 72 11.044 -8.176 1.265 1.00 0.00 C ATOM 802 OG1 THR A 72 11.620 -8.198 -0.048 1.00 0.00 O ATOM 803 CG2 THR A 72 11.445 -6.895 1.978 1.00 0.00 C ATOM 0 H THR A 72 11.968 -10.799 0.573 1.00 0.00 H new ATOM 0 HA THR A 72 12.034 -9.072 2.947 1.00 0.00 H new ATOM 0 HB THR A 72 9.957 -8.203 1.185 1.00 0.00 H new ATOM 0 HG1 THR A 72 11.324 -7.409 -0.548 1.00 0.00 H new ATOM 0 HG21 THR A 72 11.113 -6.035 1.396 1.00 0.00 H new ATOM 0 HG22 THR A 72 10.981 -6.867 2.964 1.00 0.00 H new ATOM 0 HG23 THR A 72 12.529 -6.863 2.086 1.00 0.00 H new ATOM 811 N TRP A 73 9.965 -10.183 3.753 1.00 0.00 N ATOM 812 CA TRP A 73 8.814 -10.882 4.285 1.00 0.00 C ATOM 813 C TRP A 73 7.694 -9.893 4.559 1.00 0.00 C ATOM 814 O TRP A 73 7.945 -8.773 5.005 1.00 0.00 O ATOM 815 CB TRP A 73 9.187 -11.620 5.572 1.00 0.00 C ATOM 816 CG TRP A 73 9.429 -13.087 5.372 1.00 0.00 C ATOM 817 CD1 TRP A 73 9.556 -13.743 4.181 1.00 0.00 C ATOM 818 CD2 TRP A 73 9.574 -14.079 6.395 1.00 0.00 C ATOM 819 NE1 TRP A 73 9.773 -15.082 4.401 1.00 0.00 N ATOM 820 CE2 TRP A 73 9.786 -15.313 5.751 1.00 0.00 C ATOM 821 CE3 TRP A 73 9.546 -14.046 7.793 1.00 0.00 C ATOM 822 CZ2 TRP A 73 9.967 -16.500 6.457 1.00 0.00 C ATOM 823 CZ3 TRP A 73 9.726 -15.225 8.492 1.00 0.00 C ATOM 824 CH2 TRP A 73 9.936 -16.438 7.823 1.00 0.00 C ATOM 0 H TRP A 73 10.501 -9.668 4.451 1.00 0.00 H new ATOM 0 HA TRP A 73 8.476 -11.613 3.551 1.00 0.00 H new ATOM 0 HB2 TRP A 73 10.083 -11.166 5.995 1.00 0.00 H new ATOM 0 HB3 TRP A 73 8.388 -11.488 6.302 1.00 0.00 H new ATOM 0 HD1 TRP A 73 9.495 -13.278 3.208 1.00 0.00 H new ATOM 0 HE1 TRP A 73 9.903 -15.789 3.677 1.00 0.00 H new ATOM 0 HE3 TRP A 73 9.386 -13.115 8.317 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 10.126 -17.437 5.944 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 9.704 -15.211 9.572 1.00 0.00 H new ATOM 0 HH2 TRP A 73 10.076 -17.342 8.397 1.00 0.00 H new ATOM 835 N PHE A 74 6.469 -10.303 4.280 1.00 0.00 N ATOM 836 CA PHE A 74 5.317 -9.438 4.466 1.00 0.00 C ATOM 837 C PHE A 74 4.422 -9.975 5.573 1.00 0.00 C ATOM 838 O PHE A 74 3.800 -11.027 5.431 1.00 0.00 O ATOM 839 CB PHE A 74 4.525 -9.315 3.162 1.00 0.00 C ATOM 840 CG PHE A 74 5.393 -9.124 1.948 1.00 0.00 C ATOM 841 CD1 PHE A 74 5.965 -7.891 1.675 1.00 0.00 C ATOM 842 CD2 PHE A 74 5.641 -10.179 1.084 1.00 0.00 C ATOM 843 CE1 PHE A 74 6.768 -7.714 0.564 1.00 0.00 C ATOM 844 CE2 PHE A 74 6.443 -10.008 -0.029 1.00 0.00 C ATOM 845 CZ PHE A 74 7.006 -8.774 -0.290 1.00 0.00 C ATOM 0 H PHE A 74 6.246 -11.232 3.923 1.00 0.00 H new ATOM 0 HA PHE A 74 5.673 -8.449 4.754 1.00 0.00 H new ATOM 0 HB2 PHE A 74 3.919 -10.211 3.028 1.00 0.00 H new ATOM 0 HB3 PHE A 74 3.836 -8.474 3.242 1.00 0.00 H new ATOM 0 HD1 PHE A 74 5.781 -7.059 2.338 1.00 0.00 H new ATOM 0 HD2 PHE A 74 5.203 -11.146 1.283 1.00 0.00 H new ATOM 0 HE1 PHE A 74 7.209 -6.749 0.364 1.00 0.00 H new ATOM 0 HE2 PHE A 74 6.629 -10.839 -0.694 1.00 0.00 H new ATOM 0 HZ PHE A 74 7.631 -8.638 -1.160 1.00 0.00 H new ATOM 855 N TYR A 75 4.377 -9.252 6.679 1.00 0.00 N ATOM 856 CA TYR A 75 3.540 -9.629 7.807 1.00 0.00 C ATOM 857 C TYR A 75 2.335 -8.702 7.894 1.00 0.00 C ATOM 858 O TYR A 75 2.486 -7.482 7.881 1.00 0.00 O ATOM 859 CB TYR A 75 4.341 -9.561 9.110 1.00 0.00 C ATOM 860 CG TYR A 75 4.340 -10.844 9.906 1.00 0.00 C ATOM 861 CD1 TYR A 75 3.174 -11.579 10.080 1.00 0.00 C ATOM 862 CD2 TYR A 75 5.507 -11.319 10.487 1.00 0.00 C ATOM 863 CE1 TYR A 75 3.172 -12.750 10.816 1.00 0.00 C ATOM 864 CE2 TYR A 75 5.514 -12.487 11.221 1.00 0.00 C ATOM 865 CZ TYR A 75 4.346 -13.200 11.380 1.00 0.00 C ATOM 866 OH TYR A 75 4.352 -14.364 12.115 1.00 0.00 O ATOM 0 H TYR A 75 4.913 -8.396 6.821 1.00 0.00 H new ATOM 0 HA TYR A 75 3.195 -10.652 7.658 1.00 0.00 H new ATOM 0 HB2 TYR A 75 5.371 -9.293 8.876 1.00 0.00 H new ATOM 0 HB3 TYR A 75 3.936 -8.761 9.731 1.00 0.00 H new ATOM 0 HD1 TYR A 75 2.254 -11.230 9.633 1.00 0.00 H new ATOM 0 HD2 TYR A 75 6.426 -10.765 10.362 1.00 0.00 H new ATOM 0 HE1 TYR A 75 2.257 -13.308 10.948 1.00 0.00 H new ATOM 0 HE2 TYR A 75 6.431 -12.841 11.669 1.00 0.00 H new ATOM 0 HH TYR A 75 5.250 -14.756 12.100 1.00 0.00 H new ATOM 876 N VAL A 76 1.145 -9.270 7.986 1.00 0.00 N ATOM 877 CA VAL A 76 -0.054 -8.465 8.097 1.00 0.00 C ATOM 878 C VAL A 76 -0.608 -8.589 9.500 1.00 0.00 C ATOM 879 O VAL A 76 -1.146 -9.631 9.868 1.00 0.00 O ATOM 880 CB VAL A 76 -1.134 -8.893 7.081 1.00 0.00 C ATOM 881 CG1 VAL A 76 -2.259 -7.871 7.029 1.00 0.00 C ATOM 882 CG2 VAL A 76 -0.530 -9.094 5.699 1.00 0.00 C ATOM 0 H VAL A 76 0.986 -10.278 7.986 1.00 0.00 H new ATOM 0 HA VAL A 76 0.215 -7.431 7.880 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.550 -9.845 7.412 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.009 -8.192 6.307 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.717 -7.784 8.014 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -1.858 -6.903 6.729 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -1.311 -9.395 5.001 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -0.080 -8.161 5.359 1.00 0.00 H new ATOM 0 HG23 VAL A 76 0.234 -9.870 5.745 1.00 0.00 H new ATOM 892 N PHE A 77 -0.464 -7.538 10.287 1.00 0.00 N ATOM 893 CA PHE A 77 -0.921 -7.575 11.658 1.00 0.00 C ATOM 894 C PHE A 77 -1.903 -6.450 11.925 1.00 0.00 C ATOM 895 O PHE A 77 -1.872 -5.408 11.265 1.00 0.00 O ATOM 896 CB PHE A 77 0.256 -7.545 12.645 1.00 0.00 C ATOM 897 CG PHE A 77 1.170 -6.360 12.539 1.00 0.00 C ATOM 898 CD1 PHE A 77 2.087 -6.264 11.507 1.00 0.00 C ATOM 899 CD2 PHE A 77 1.133 -5.355 13.491 1.00 0.00 C ATOM 900 CE1 PHE A 77 2.945 -5.187 11.425 1.00 0.00 C ATOM 901 CE2 PHE A 77 1.987 -4.274 13.412 1.00 0.00 C ATOM 902 CZ PHE A 77 2.895 -4.192 12.378 1.00 0.00 C ATOM 0 H PHE A 77 -0.038 -6.657 10.001 1.00 0.00 H new ATOM 0 HA PHE A 77 -1.443 -8.519 11.814 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -0.144 -7.582 13.658 1.00 0.00 H new ATOM 0 HB3 PHE A 77 0.847 -8.449 12.503 1.00 0.00 H new ATOM 0 HD1 PHE A 77 2.131 -7.041 10.758 1.00 0.00 H new ATOM 0 HD2 PHE A 77 0.427 -5.418 14.306 1.00 0.00 H new ATOM 0 HE1 PHE A 77 3.656 -5.123 10.614 1.00 0.00 H new ATOM 0 HE2 PHE A 77 1.944 -3.494 14.158 1.00 0.00 H new ATOM 0 HZ PHE A 77 3.567 -3.349 12.314 1.00 0.00 H new ATOM 912 N ARG A 78 -2.769 -6.678 12.898 1.00 0.00 N ATOM 913 CA ARG A 78 -3.877 -5.782 13.186 1.00 0.00 C ATOM 914 C ARG A 78 -3.397 -4.419 13.663 1.00 0.00 C ATOM 915 O ARG A 78 -2.439 -4.312 14.430 1.00 0.00 O ATOM 916 CB ARG A 78 -4.793 -6.408 14.239 1.00 0.00 C ATOM 917 CG ARG A 78 -6.092 -6.948 13.667 1.00 0.00 C ATOM 918 CD ARG A 78 -7.175 -5.885 13.650 1.00 0.00 C ATOM 919 NE ARG A 78 -8.230 -6.165 14.617 1.00 0.00 N ATOM 920 CZ ARG A 78 -9.513 -5.886 14.420 1.00 0.00 C ATOM 921 NH1 ARG A 78 -9.910 -5.301 13.294 1.00 0.00 N ATOM 922 NH2 ARG A 78 -10.393 -6.189 15.361 1.00 0.00 N ATOM 0 H ARG A 78 -2.724 -7.491 13.512 1.00 0.00 H new ATOM 0 HA ARG A 78 -4.429 -5.632 12.258 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -4.260 -7.218 14.738 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -5.022 -5.662 15.000 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -5.921 -7.312 12.654 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -6.426 -7.800 14.260 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -6.732 -4.913 13.868 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -7.606 -5.823 12.651 1.00 0.00 H new ATOM 0 HE ARG A 78 -7.966 -6.602 15.500 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -9.227 -5.064 12.574 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -10.897 -5.090 13.150 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -10.083 -6.632 16.226 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -11.381 -5.980 15.221 1.00 0.00 H new ATOM 936 N GLN A 79 -4.065 -3.381 13.181 1.00 0.00 N ATOM 937 CA GLN A 79 -3.806 -2.029 13.632 1.00 0.00 C ATOM 938 C GLN A 79 -4.631 -1.742 14.879 1.00 0.00 C ATOM 939 O GLN A 79 -5.236 -2.650 15.454 1.00 0.00 O ATOM 940 CB GLN A 79 -4.155 -1.024 12.530 1.00 0.00 C ATOM 941 CG GLN A 79 -2.942 -0.336 11.925 1.00 0.00 C ATOM 942 CD GLN A 79 -3.088 1.171 11.861 1.00 0.00 C ATOM 943 OE1 GLN A 79 -3.391 1.825 12.858 1.00 0.00 O ATOM 944 NE2 GLN A 79 -2.882 1.733 10.680 1.00 0.00 N ATOM 0 H GLN A 79 -4.795 -3.455 12.472 1.00 0.00 H new ATOM 0 HA GLN A 79 -2.747 -1.930 13.868 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -4.701 -1.539 11.740 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -4.825 -0.267 12.939 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -2.059 -0.585 12.513 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -2.775 -0.723 10.920 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -2.632 1.156 9.877 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -2.973 2.743 10.573 1.00 0.00 H new ATOM 953 N GLN A 80 -4.669 -0.486 15.287 1.00 0.00 N ATOM 954 CA GLN A 80 -5.471 -0.096 16.435 1.00 0.00 C ATOM 955 C GLN A 80 -6.943 -0.079 16.037 1.00 0.00 C ATOM 956 O GLN A 80 -7.280 0.344 14.929 1.00 0.00 O ATOM 957 CB GLN A 80 -5.034 1.274 16.977 1.00 0.00 C ATOM 958 CG GLN A 80 -4.292 2.140 15.972 1.00 0.00 C ATOM 959 CD GLN A 80 -2.779 2.017 16.076 1.00 0.00 C ATOM 960 OE1 GLN A 80 -2.285 0.800 16.246 1.00 0.00 O flip ATOM 961 NE2 GLN A 80 -2.063 3.014 16.012 1.00 0.00 N flip ATOM 0 H GLN A 80 -4.158 0.278 14.844 1.00 0.00 H new ATOM 0 HA GLN A 80 -5.323 -0.822 17.234 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -5.917 1.813 17.321 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -4.395 1.120 17.847 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -4.604 1.865 14.965 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -4.576 3.182 16.120 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -2.481 3.935 15.880 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -1.050 2.921 16.090 1.00 0.00 H new ATOM 970 N PRO A 81 -7.830 -0.567 16.921 1.00 0.00 N ATOM 971 CA PRO A 81 -9.268 -0.678 16.640 1.00 0.00 C ATOM 972 C PRO A 81 -9.963 0.678 16.522 1.00 0.00 C ATOM 973 O PRO A 81 -10.782 1.048 17.364 1.00 0.00 O ATOM 974 CB PRO A 81 -9.821 -1.454 17.845 1.00 0.00 C ATOM 975 CG PRO A 81 -8.626 -2.021 18.537 1.00 0.00 C ATOM 976 CD PRO A 81 -7.503 -1.068 18.261 1.00 0.00 C ATOM 0 HA PRO A 81 -9.443 -1.166 15.681 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -10.385 -0.798 18.509 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -10.501 -2.244 17.525 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -8.803 -2.116 19.608 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -8.394 -3.018 18.162 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -7.464 -0.264 18.996 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -6.534 -1.567 18.282 1.00 0.00 H new ATOM 984 N GLY A 82 -9.637 1.408 15.470 1.00 0.00 N ATOM 985 CA GLY A 82 -10.250 2.691 15.229 1.00 0.00 C ATOM 986 C GLY A 82 -9.436 3.532 14.273 1.00 0.00 C ATOM 987 O GLY A 82 -9.538 3.369 13.052 1.00 0.00 O ATOM 0 H GLY A 82 -8.949 1.129 14.771 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -11.251 2.545 14.823 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -10.364 3.222 16.174 1.00 0.00 H new ATOM 991 N HIS A 83 -8.616 4.414 14.832 1.00 0.00 N ATOM 992 CA HIS A 83 -7.770 5.314 14.053 1.00 0.00 C ATOM 993 C HIS A 83 -8.600 6.180 13.097 1.00 0.00 C ATOM 994 O HIS A 83 -9.202 7.167 13.520 1.00 0.00 O ATOM 995 CB HIS A 83 -6.696 4.531 13.290 1.00 0.00 C ATOM 996 CG HIS A 83 -5.345 5.177 13.318 1.00 0.00 C ATOM 997 ND1 HIS A 83 -4.166 4.463 13.293 1.00 0.00 N ATOM 998 CD2 HIS A 83 -4.987 6.481 13.373 1.00 0.00 C ATOM 999 CE1 HIS A 83 -3.147 5.301 13.334 1.00 0.00 C ATOM 1000 NE2 HIS A 83 -3.619 6.530 13.382 1.00 0.00 N ATOM 0 H HIS A 83 -8.518 4.527 15.841 1.00 0.00 H new ATOM 0 HA HIS A 83 -7.270 5.984 14.753 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -6.619 3.530 13.714 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -7.012 4.415 12.253 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -4.093 3.447 13.250 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -5.657 7.327 13.404 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -2.103 5.026 13.329 1.00 0.00 H new ATOM 1009 N GLU A 84 -8.640 5.805 11.819 1.00 0.00 N ATOM 1010 CA GLU A 84 -9.308 6.623 10.808 1.00 0.00 C ATOM 1011 C GLU A 84 -10.395 5.848 10.066 1.00 0.00 C ATOM 1012 O GLU A 84 -11.231 6.436 9.381 1.00 0.00 O ATOM 1013 CB GLU A 84 -8.275 7.141 9.805 1.00 0.00 C ATOM 1014 CG GLU A 84 -8.651 8.465 9.165 1.00 0.00 C ATOM 1015 CD GLU A 84 -8.975 9.526 10.189 1.00 0.00 C ATOM 1016 OE1 GLU A 84 -8.156 9.740 11.107 1.00 0.00 O ATOM 1017 OE2 GLU A 84 -10.049 10.151 10.086 1.00 0.00 O ATOM 0 H GLU A 84 -8.221 4.947 11.461 1.00 0.00 H new ATOM 0 HA GLU A 84 -9.788 7.456 11.322 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -7.316 7.252 10.311 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -8.138 6.396 9.022 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -7.829 8.809 8.537 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -9.511 8.319 8.512 1.00 0.00 H new ATOM 1024 N GLY A 85 -10.383 4.533 10.202 1.00 0.00 N ATOM 1025 CA GLY A 85 -11.283 3.695 9.425 1.00 0.00 C ATOM 1026 C GLY A 85 -10.595 3.186 8.176 1.00 0.00 C ATOM 1027 O GLY A 85 -10.787 2.043 7.759 1.00 0.00 O ATOM 0 H GLY A 85 -9.767 4.025 10.837 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -11.618 2.853 10.031 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -12.172 4.264 9.151 1.00 0.00 H new ATOM 1031 N VAL A 86 -9.781 4.044 7.584 1.00 0.00 N ATOM 1032 CA VAL A 86 -8.820 3.619 6.589 1.00 0.00 C ATOM 1033 C VAL A 86 -7.522 3.361 7.339 1.00 0.00 C ATOM 1034 O VAL A 86 -6.703 4.257 7.550 1.00 0.00 O ATOM 1035 CB VAL A 86 -8.638 4.667 5.457 1.00 0.00 C ATOM 1036 CG1 VAL A 86 -8.501 6.077 6.018 1.00 0.00 C ATOM 1037 CG2 VAL A 86 -7.450 4.316 4.569 1.00 0.00 C ATOM 0 H VAL A 86 -9.770 5.045 7.779 1.00 0.00 H new ATOM 0 HA VAL A 86 -9.165 2.719 6.080 1.00 0.00 H new ATOM 0 HB VAL A 86 -9.538 4.643 4.842 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -8.375 6.784 5.198 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -9.397 6.332 6.583 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -7.632 6.125 6.675 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -7.347 5.067 3.786 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -6.541 4.292 5.170 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -7.611 3.338 4.115 1.00 0.00 H new ATOM 1047 N THR A 87 -7.374 2.139 7.805 1.00 0.00 N ATOM 1048 CA THR A 87 -6.411 1.854 8.840 1.00 0.00 C ATOM 1049 C THR A 87 -5.977 0.388 8.827 1.00 0.00 C ATOM 1050 O THR A 87 -6.776 -0.514 9.079 1.00 0.00 O ATOM 1051 CB THR A 87 -7.029 2.235 10.206 1.00 0.00 C ATOM 1052 OG1 THR A 87 -6.995 3.662 10.363 1.00 0.00 O ATOM 1053 CG2 THR A 87 -6.314 1.573 11.375 1.00 0.00 C ATOM 0 H THR A 87 -7.908 1.331 7.483 1.00 0.00 H new ATOM 0 HA THR A 87 -5.513 2.444 8.660 1.00 0.00 H new ATOM 0 HB THR A 87 -8.058 1.875 10.212 1.00 0.00 H new ATOM 0 HG1 THR A 87 -6.066 3.973 10.328 1.00 0.00 H new ATOM 0 HG21 THR A 87 -6.788 1.874 12.309 1.00 0.00 H new ATOM 0 HG22 THR A 87 -6.373 0.490 11.271 1.00 0.00 H new ATOM 0 HG23 THR A 87 -5.268 1.880 11.383 1.00 0.00 H new ATOM 1061 N GLN A 88 -4.705 0.174 8.503 1.00 0.00 N ATOM 1062 CA GLN A 88 -4.085 -1.148 8.519 1.00 0.00 C ATOM 1063 C GLN A 88 -2.586 -0.960 8.333 1.00 0.00 C ATOM 1064 O GLN A 88 -2.129 0.176 8.283 1.00 0.00 O ATOM 1065 CB GLN A 88 -4.671 -2.046 7.421 1.00 0.00 C ATOM 1066 CG GLN A 88 -4.591 -3.537 7.729 1.00 0.00 C ATOM 1067 CD GLN A 88 -5.258 -3.937 9.040 1.00 0.00 C ATOM 1068 OE1 GLN A 88 -4.960 -4.993 9.596 1.00 0.00 O ATOM 1069 NE2 GLN A 88 -6.154 -3.108 9.555 1.00 0.00 N ATOM 0 H GLN A 88 -4.070 0.920 8.219 1.00 0.00 H new ATOM 0 HA GLN A 88 -4.285 -1.645 9.469 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -5.715 -1.774 7.262 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -4.145 -1.850 6.487 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -5.055 -4.091 6.913 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -3.543 -3.835 7.761 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -6.382 -2.239 9.072 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -6.616 -3.339 10.434 1.00 0.00 H new ATOM 1078 N GLN A 89 -1.815 -2.035 8.283 1.00 0.00 N ATOM 1079 CA GLN A 89 -0.380 -1.909 8.056 1.00 0.00 C ATOM 1080 C GLN A 89 0.222 -3.228 7.596 1.00 0.00 C ATOM 1081 O GLN A 89 -0.325 -4.301 7.859 1.00 0.00 O ATOM 1082 CB GLN A 89 0.327 -1.413 9.322 1.00 0.00 C ATOM 1083 CG GLN A 89 0.544 -2.488 10.372 1.00 0.00 C ATOM 1084 CD GLN A 89 -0.025 -2.105 11.721 1.00 0.00 C ATOM 1085 OE1 GLN A 89 0.324 -1.073 12.293 1.00 0.00 O ATOM 1086 NE2 GLN A 89 -0.911 -2.934 12.244 1.00 0.00 N ATOM 0 H GLN A 89 -2.150 -2.992 8.394 1.00 0.00 H new ATOM 0 HA GLN A 89 -0.232 -1.175 7.264 1.00 0.00 H new ATOM 0 HB2 GLN A 89 1.293 -0.991 9.044 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -0.259 -0.605 9.760 1.00 0.00 H new ATOM 0 HG2 GLN A 89 0.082 -3.417 10.037 1.00 0.00 H new ATOM 0 HG3 GLN A 89 1.612 -2.682 10.474 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -1.176 -3.781 11.741 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -1.330 -2.727 13.151 1.00 0.00 H new ATOM 1095 N THR A 90 1.337 -3.133 6.891 1.00 0.00 N ATOM 1096 CA THR A 90 2.062 -4.303 6.439 1.00 0.00 C ATOM 1097 C THR A 90 3.519 -4.211 6.877 1.00 0.00 C ATOM 1098 O THR A 90 4.200 -3.221 6.604 1.00 0.00 O ATOM 1099 CB THR A 90 1.980 -4.453 4.908 1.00 0.00 C ATOM 1100 OG1 THR A 90 0.680 -4.045 4.451 1.00 0.00 O ATOM 1101 CG2 THR A 90 2.240 -5.892 4.486 1.00 0.00 C ATOM 0 H THR A 90 1.761 -2.246 6.618 1.00 0.00 H new ATOM 0 HA THR A 90 1.603 -5.183 6.889 1.00 0.00 H new ATOM 0 HB THR A 90 2.745 -3.819 4.460 1.00 0.00 H new ATOM 0 HG1 THR A 90 0.631 -4.140 3.477 1.00 0.00 H new ATOM 0 HG21 THR A 90 2.176 -5.970 3.401 1.00 0.00 H new ATOM 0 HG22 THR A 90 3.235 -6.193 4.814 1.00 0.00 H new ATOM 0 HG23 THR A 90 1.495 -6.545 4.941 1.00 0.00 H new ATOM 1109 N LEU A 91 3.983 -5.238 7.568 1.00 0.00 N ATOM 1110 CA LEU A 91 5.341 -5.264 8.089 1.00 0.00 C ATOM 1111 C LEU A 91 6.302 -5.762 7.021 1.00 0.00 C ATOM 1112 O LEU A 91 6.263 -6.931 6.637 1.00 0.00 O ATOM 1113 CB LEU A 91 5.418 -6.176 9.316 1.00 0.00 C ATOM 1114 CG LEU A 91 6.361 -5.729 10.444 1.00 0.00 C ATOM 1115 CD1 LEU A 91 7.125 -6.923 10.992 1.00 0.00 C ATOM 1116 CD2 LEU A 91 7.331 -4.655 9.972 1.00 0.00 C ATOM 0 H LEU A 91 3.435 -6.071 7.783 1.00 0.00 H new ATOM 0 HA LEU A 91 5.622 -4.251 8.379 1.00 0.00 H new ATOM 0 HB2 LEU A 91 4.415 -6.277 9.730 1.00 0.00 H new ATOM 0 HB3 LEU A 91 5.727 -7.167 8.985 1.00 0.00 H new ATOM 0 HG LEU A 91 5.750 -5.298 11.237 1.00 0.00 H new ATOM 0 HD11 LEU A 91 7.790 -6.594 11.791 1.00 0.00 H new ATOM 0 HD12 LEU A 91 6.421 -7.656 11.385 1.00 0.00 H new ATOM 0 HD13 LEU A 91 7.713 -7.376 10.194 1.00 0.00 H new ATOM 0 HD21 LEU A 91 7.981 -4.364 10.797 1.00 0.00 H new ATOM 0 HD22 LEU A 91 7.936 -5.045 9.153 1.00 0.00 H new ATOM 0 HD23 LEU A 91 6.771 -3.785 9.627 1.00 0.00 H new ATOM 1128 N THR A 92 7.149 -4.866 6.541 1.00 0.00 N ATOM 1129 CA THR A 92 8.166 -5.221 5.567 1.00 0.00 C ATOM 1130 C THR A 92 9.453 -5.656 6.266 1.00 0.00 C ATOM 1131 O THR A 92 10.166 -4.835 6.843 1.00 0.00 O ATOM 1132 CB THR A 92 8.471 -4.038 4.623 1.00 0.00 C ATOM 1133 OG1 THR A 92 7.503 -2.989 4.810 1.00 0.00 O ATOM 1134 CG2 THR A 92 8.456 -4.492 3.170 1.00 0.00 C ATOM 0 H THR A 92 7.151 -3.883 6.812 1.00 0.00 H new ATOM 0 HA THR A 92 7.778 -6.051 4.976 1.00 0.00 H new ATOM 0 HB THR A 92 9.464 -3.659 4.864 1.00 0.00 H new ATOM 0 HG1 THR A 92 7.631 -2.579 5.691 1.00 0.00 H new ATOM 0 HG21 THR A 92 8.673 -3.643 2.521 1.00 0.00 H new ATOM 0 HG22 THR A 92 9.211 -5.264 3.022 1.00 0.00 H new ATOM 0 HG23 THR A 92 7.473 -4.894 2.925 1.00 0.00 H new ATOM 1142 N LEU A 93 9.731 -6.949 6.234 1.00 0.00 N ATOM 1143 CA LEU A 93 10.946 -7.484 6.827 1.00 0.00 C ATOM 1144 C LEU A 93 11.979 -7.742 5.743 1.00 0.00 C ATOM 1145 O LEU A 93 11.731 -8.503 4.822 1.00 0.00 O ATOM 1146 CB LEU A 93 10.645 -8.782 7.580 1.00 0.00 C ATOM 1147 CG LEU A 93 9.660 -8.651 8.744 1.00 0.00 C ATOM 1148 CD1 LEU A 93 8.378 -9.411 8.449 1.00 0.00 C ATOM 1149 CD2 LEU A 93 10.291 -9.159 10.029 1.00 0.00 C ATOM 0 H LEU A 93 9.129 -7.650 5.802 1.00 0.00 H new ATOM 0 HA LEU A 93 11.342 -6.754 7.533 1.00 0.00 H new ATOM 0 HB2 LEU A 93 10.250 -9.510 6.872 1.00 0.00 H new ATOM 0 HB3 LEU A 93 11.582 -9.186 7.963 1.00 0.00 H new ATOM 0 HG LEU A 93 9.413 -7.597 8.869 1.00 0.00 H new ATOM 0 HD11 LEU A 93 7.691 -9.305 9.289 1.00 0.00 H new ATOM 0 HD12 LEU A 93 7.915 -9.008 7.548 1.00 0.00 H new ATOM 0 HD13 LEU A 93 8.607 -10.466 8.298 1.00 0.00 H new ATOM 0 HD21 LEU A 93 9.579 -9.060 10.848 1.00 0.00 H new ATOM 0 HD22 LEU A 93 10.564 -10.208 9.911 1.00 0.00 H new ATOM 0 HD23 LEU A 93 11.184 -8.575 10.252 1.00 0.00 H new ATOM 1161 N THR A 94 13.132 -7.114 5.858 1.00 0.00 N ATOM 1162 CA THR A 94 14.170 -7.234 4.847 1.00 0.00 C ATOM 1163 C THR A 94 15.375 -7.958 5.421 1.00 0.00 C ATOM 1164 O THR A 94 15.878 -7.582 6.476 1.00 0.00 O ATOM 1165 CB THR A 94 14.601 -5.845 4.334 1.00 0.00 C ATOM 1166 OG1 THR A 94 13.481 -4.947 4.361 1.00 0.00 O ATOM 1167 CG2 THR A 94 15.162 -5.932 2.919 1.00 0.00 C ATOM 0 H THR A 94 13.377 -6.512 6.644 1.00 0.00 H new ATOM 0 HA THR A 94 13.765 -7.805 4.012 1.00 0.00 H new ATOM 0 HB THR A 94 15.386 -5.468 4.989 1.00 0.00 H new ATOM 0 HG1 THR A 94 13.694 -4.176 4.927 1.00 0.00 H new ATOM 0 HG21 THR A 94 15.458 -4.938 2.583 1.00 0.00 H new ATOM 0 HG22 THR A 94 16.030 -6.591 2.912 1.00 0.00 H new ATOM 0 HG23 THR A 94 14.400 -6.329 2.249 1.00 0.00 H new ATOM 1175 N PHE A 95 15.827 -8.998 4.743 1.00 0.00 N ATOM 1176 CA PHE A 95 16.959 -9.768 5.220 1.00 0.00 C ATOM 1177 C PHE A 95 18.021 -9.891 4.144 1.00 0.00 C ATOM 1178 O PHE A 95 17.744 -9.711 2.962 1.00 0.00 O ATOM 1179 CB PHE A 95 16.537 -11.162 5.712 1.00 0.00 C ATOM 1180 CG PHE A 95 15.335 -11.761 5.030 1.00 0.00 C ATOM 1181 CD1 PHE A 95 14.050 -11.417 5.421 1.00 0.00 C ATOM 1182 CD2 PHE A 95 15.498 -12.691 4.018 1.00 0.00 C ATOM 1183 CE1 PHE A 95 12.951 -11.985 4.808 1.00 0.00 C ATOM 1184 CE2 PHE A 95 14.402 -13.268 3.407 1.00 0.00 C ATOM 1185 CZ PHE A 95 13.126 -12.912 3.800 1.00 0.00 C ATOM 0 H PHE A 95 15.428 -9.327 3.864 1.00 0.00 H new ATOM 0 HA PHE A 95 17.379 -9.228 6.069 1.00 0.00 H new ATOM 0 HB2 PHE A 95 17.380 -11.842 5.585 1.00 0.00 H new ATOM 0 HB3 PHE A 95 16.333 -11.103 6.781 1.00 0.00 H new ATOM 0 HD1 PHE A 95 13.907 -10.697 6.213 1.00 0.00 H new ATOM 0 HD2 PHE A 95 16.493 -12.968 3.703 1.00 0.00 H new ATOM 0 HE1 PHE A 95 11.955 -11.704 5.117 1.00 0.00 H new ATOM 0 HE2 PHE A 95 14.542 -13.997 2.623 1.00 0.00 H new ATOM 0 HZ PHE A 95 12.268 -13.358 3.320 1.00 0.00 H new ATOM 1195 N ASN A 96 19.243 -10.158 4.569 1.00 0.00 N ATOM 1196 CA ASN A 96 20.333 -10.385 3.642 1.00 0.00 C ATOM 1197 C ASN A 96 20.383 -11.866 3.288 1.00 0.00 C ATOM 1198 O ASN A 96 19.692 -12.661 3.921 1.00 0.00 O ATOM 1199 CB ASN A 96 21.659 -9.922 4.255 1.00 0.00 C ATOM 1200 CG ASN A 96 22.769 -9.810 3.229 1.00 0.00 C ATOM 1201 OD1 ASN A 96 23.774 -10.512 3.311 1.00 0.00 O ATOM 1202 ND2 ASN A 96 22.593 -8.933 2.253 1.00 0.00 N ATOM 0 H ASN A 96 19.504 -10.223 5.553 1.00 0.00 H new ATOM 0 HA ASN A 96 20.169 -9.807 2.733 1.00 0.00 H new ATOM 0 HB2 ASN A 96 21.514 -8.954 4.735 1.00 0.00 H new ATOM 0 HB3 ASN A 96 21.959 -10.623 5.034 1.00 0.00 H new ATOM 0 HD21 ASN A 96 23.307 -8.821 1.533 1.00 0.00 H new ATOM 0 HD22 ASN A 96 21.744 -8.369 2.221 1.00 0.00 H new ATOM 1209 N SER A 97 21.218 -12.231 2.316 1.00 0.00 N ATOM 1210 CA SER A 97 21.259 -13.585 1.761 1.00 0.00 C ATOM 1211 C SER A 97 21.457 -14.670 2.829 1.00 0.00 C ATOM 1212 O SER A 97 21.056 -15.822 2.636 1.00 0.00 O ATOM 1213 CB SER A 97 22.376 -13.652 0.722 1.00 0.00 C ATOM 1214 OG SER A 97 22.847 -12.346 0.416 1.00 0.00 O ATOM 0 H SER A 97 21.889 -11.593 1.888 1.00 0.00 H new ATOM 0 HA SER A 97 20.291 -13.788 1.303 1.00 0.00 H new ATOM 0 HB2 SER A 97 23.196 -14.262 1.100 1.00 0.00 H new ATOM 0 HB3 SER A 97 22.010 -14.135 -0.184 1.00 0.00 H new ATOM 0 HG SER A 97 23.513 -12.074 1.082 1.00 0.00 H new ATOM 1220 N SER A 98 22.066 -14.307 3.952 1.00 0.00 N ATOM 1221 CA SER A 98 22.275 -15.240 5.051 1.00 0.00 C ATOM 1222 C SER A 98 20.969 -15.497 5.809 1.00 0.00 C ATOM 1223 O SER A 98 20.867 -16.436 6.599 1.00 0.00 O ATOM 1224 CB SER A 98 23.327 -14.668 5.996 1.00 0.00 C ATOM 1225 OG SER A 98 23.636 -13.327 5.640 1.00 0.00 O ATOM 0 H SER A 98 22.425 -13.368 4.125 1.00 0.00 H new ATOM 0 HA SER A 98 22.619 -16.192 4.647 1.00 0.00 H new ATOM 0 HB2 SER A 98 22.961 -14.703 7.022 1.00 0.00 H new ATOM 0 HB3 SER A 98 24.229 -15.278 5.958 1.00 0.00 H new ATOM 0 HG SER A 98 24.311 -12.972 6.256 1.00 0.00 H new ATOM 1231 N GLY A 99 19.972 -14.666 5.544 1.00 0.00 N ATOM 1232 CA GLY A 99 18.715 -14.737 6.257 1.00 0.00 C ATOM 1233 C GLY A 99 18.693 -13.790 7.435 1.00 0.00 C ATOM 1234 O GLY A 99 17.924 -13.970 8.368 1.00 0.00 O ATOM 0 H GLY A 99 20.014 -13.933 4.836 1.00 0.00 H new ATOM 0 HA2 GLY A 99 17.897 -14.495 5.579 1.00 0.00 H new ATOM 0 HA3 GLY A 99 18.550 -15.757 6.605 1.00 0.00 H new ATOM 1238 N VAL A 100 19.530 -12.766 7.374 1.00 0.00 N ATOM 1239 CA VAL A 100 19.705 -11.845 8.483 1.00 0.00 C ATOM 1240 C VAL A 100 18.896 -10.571 8.258 1.00 0.00 C ATOM 1241 O VAL A 100 19.150 -9.830 7.305 1.00 0.00 O ATOM 1242 CB VAL A 100 21.200 -11.496 8.665 1.00 0.00 C ATOM 1243 CG1 VAL A 100 21.389 -10.308 9.597 1.00 0.00 C ATOM 1244 CG2 VAL A 100 21.969 -12.705 9.179 1.00 0.00 C ATOM 0 H VAL A 100 20.104 -12.552 6.558 1.00 0.00 H new ATOM 0 HA VAL A 100 19.344 -12.332 9.389 1.00 0.00 H new ATOM 0 HB VAL A 100 21.596 -11.215 7.689 1.00 0.00 H new ATOM 0 HG11 VAL A 100 22.452 -10.092 9.701 1.00 0.00 H new ATOM 0 HG12 VAL A 100 20.881 -9.437 9.184 1.00 0.00 H new ATOM 0 HG13 VAL A 100 20.969 -10.543 10.575 1.00 0.00 H new ATOM 0 HG21 VAL A 100 23.020 -12.443 9.302 1.00 0.00 H new ATOM 0 HG22 VAL A 100 21.558 -13.016 10.139 1.00 0.00 H new ATOM 0 HG23 VAL A 100 21.880 -13.523 8.464 1.00 0.00 H new ATOM 1254 N LEU A 101 17.917 -10.340 9.130 1.00 0.00 N ATOM 1255 CA LEU A 101 17.085 -9.134 9.081 1.00 0.00 C ATOM 1256 C LEU A 101 17.955 -7.881 9.086 1.00 0.00 C ATOM 1257 O LEU A 101 18.544 -7.519 10.099 1.00 0.00 O ATOM 1258 CB LEU A 101 16.135 -9.105 10.283 1.00 0.00 C ATOM 1259 CG LEU A 101 14.653 -9.320 9.966 1.00 0.00 C ATOM 1260 CD1 LEU A 101 14.084 -8.126 9.218 1.00 0.00 C ATOM 1261 CD2 LEU A 101 14.449 -10.599 9.162 1.00 0.00 C ATOM 0 H LEU A 101 17.677 -10.979 9.888 1.00 0.00 H new ATOM 0 HA LEU A 101 16.504 -9.154 8.159 1.00 0.00 H new ATOM 0 HB2 LEU A 101 16.451 -9.872 10.990 1.00 0.00 H new ATOM 0 HB3 LEU A 101 16.244 -8.144 10.785 1.00 0.00 H new ATOM 0 HG LEU A 101 14.118 -9.421 10.910 1.00 0.00 H new ATOM 0 HD11 LEU A 101 13.030 -8.300 9.003 1.00 0.00 H new ATOM 0 HD12 LEU A 101 14.186 -7.230 9.831 1.00 0.00 H new ATOM 0 HD13 LEU A 101 14.627 -7.990 8.283 1.00 0.00 H new ATOM 0 HD21 LEU A 101 13.388 -10.730 8.949 1.00 0.00 H new ATOM 0 HD22 LEU A 101 15.001 -10.532 8.225 1.00 0.00 H new ATOM 0 HD23 LEU A 101 14.812 -11.452 9.736 1.00 0.00 H new ATOM 1273 N THR A 102 18.029 -7.228 7.946 1.00 0.00 N ATOM 1274 CA THR A 102 18.877 -6.067 7.784 1.00 0.00 C ATOM 1275 C THR A 102 18.055 -4.787 7.834 1.00 0.00 C ATOM 1276 O THR A 102 18.604 -3.691 7.970 1.00 0.00 O ATOM 1277 CB THR A 102 19.635 -6.136 6.449 1.00 0.00 C ATOM 1278 OG1 THR A 102 19.029 -7.122 5.601 1.00 0.00 O ATOM 1279 CG2 THR A 102 21.093 -6.495 6.676 1.00 0.00 C ATOM 0 H THR A 102 17.506 -7.485 7.109 1.00 0.00 H new ATOM 0 HA THR A 102 19.594 -6.060 8.605 1.00 0.00 H new ATOM 0 HB THR A 102 19.585 -5.157 5.973 1.00 0.00 H new ATOM 0 HG1 THR A 102 19.513 -7.163 4.750 1.00 0.00 H new ATOM 0 HG21 THR A 102 21.611 -6.538 5.718 1.00 0.00 H new ATOM 0 HG22 THR A 102 21.560 -5.739 7.307 1.00 0.00 H new ATOM 0 HG23 THR A 102 21.156 -7.466 7.167 1.00 0.00 H new ATOM 1287 N ASN A 103 16.738 -4.934 7.725 1.00 0.00 N ATOM 1288 CA ASN A 103 15.842 -3.785 7.744 1.00 0.00 C ATOM 1289 C ASN A 103 14.420 -4.200 8.099 1.00 0.00 C ATOM 1290 O ASN A 103 13.863 -5.116 7.497 1.00 0.00 O ATOM 1291 CB ASN A 103 15.842 -3.089 6.375 1.00 0.00 C ATOM 1292 CG ASN A 103 14.804 -1.984 6.272 1.00 0.00 C ATOM 1293 OD1 ASN A 103 13.666 -2.218 5.861 1.00 0.00 O ATOM 1294 ND2 ASN A 103 15.192 -0.772 6.635 1.00 0.00 N ATOM 0 H ASN A 103 16.270 -5.834 7.623 1.00 0.00 H new ATOM 0 HA ASN A 103 16.204 -3.095 8.506 1.00 0.00 H new ATOM 0 HB2 ASN A 103 16.831 -2.670 6.186 1.00 0.00 H new ATOM 0 HB3 ASN A 103 15.655 -3.829 5.597 1.00 0.00 H new ATOM 0 HD21 ASN A 103 14.540 0.010 6.580 1.00 0.00 H new ATOM 0 HD22 ASN A 103 16.143 -0.620 6.970 1.00 0.00 H new ATOM 1301 N ILE A 104 13.853 -3.533 9.086 1.00 0.00 N ATOM 1302 CA ILE A 104 12.436 -3.651 9.377 1.00 0.00 C ATOM 1303 C ILE A 104 11.750 -2.357 8.967 1.00 0.00 C ATOM 1304 O ILE A 104 12.307 -1.271 9.144 1.00 0.00 O ATOM 1305 CB ILE A 104 12.151 -3.900 10.875 1.00 0.00 C ATOM 1306 CG1 ILE A 104 12.417 -5.365 11.252 1.00 0.00 C ATOM 1307 CG2 ILE A 104 10.710 -3.510 11.198 1.00 0.00 C ATOM 1308 CD1 ILE A 104 13.072 -5.533 12.603 1.00 0.00 C ATOM 0 H ILE A 104 14.357 -2.898 9.705 1.00 0.00 H new ATOM 0 HA ILE A 104 12.057 -4.509 8.821 1.00 0.00 H new ATOM 0 HB ILE A 104 12.826 -3.281 11.466 1.00 0.00 H new ATOM 0 HG12 ILE A 104 11.473 -5.910 11.245 1.00 0.00 H new ATOM 0 HG13 ILE A 104 13.052 -5.818 10.491 1.00 0.00 H new ATOM 0 HG21 ILE A 104 10.513 -3.687 12.255 1.00 0.00 H new ATOM 0 HG22 ILE A 104 10.560 -2.454 10.973 1.00 0.00 H new ATOM 0 HG23 ILE A 104 10.027 -4.110 10.596 1.00 0.00 H new ATOM 0 HD11 ILE A 104 13.229 -6.593 12.802 1.00 0.00 H new ATOM 0 HD12 ILE A 104 14.032 -5.017 12.609 1.00 0.00 H new ATOM 0 HD13 ILE A 104 12.428 -5.111 13.375 1.00 0.00 H new ATOM 1320 N ASP A 105 10.554 -2.466 8.426 1.00 0.00 N ATOM 1321 CA ASP A 105 9.806 -1.294 8.026 1.00 0.00 C ATOM 1322 C ASP A 105 8.314 -1.488 8.261 1.00 0.00 C ATOM 1323 O ASP A 105 7.640 -2.189 7.502 1.00 0.00 O ATOM 1324 CB ASP A 105 10.067 -1.016 6.562 1.00 0.00 C ATOM 1325 CG ASP A 105 9.781 0.419 6.189 1.00 0.00 C ATOM 1326 OD1 ASP A 105 10.566 1.309 6.588 1.00 0.00 O ATOM 1327 OD2 ASP A 105 8.771 0.675 5.510 1.00 0.00 O ATOM 0 H ASP A 105 10.081 -3.353 8.254 1.00 0.00 H new ATOM 0 HA ASP A 105 10.132 -0.447 8.629 1.00 0.00 H new ATOM 0 HB2 ASP A 105 11.106 -1.249 6.330 1.00 0.00 H new ATOM 0 HB3 ASP A 105 9.449 -1.677 5.954 1.00 0.00 H new ATOM 1332 N ASN A 106 7.807 -0.879 9.325 1.00 0.00 N ATOM 1333 CA ASN A 106 6.385 -0.939 9.640 1.00 0.00 C ATOM 1334 C ASN A 106 5.762 0.447 9.550 1.00 0.00 C ATOM 1335 O ASN A 106 6.030 1.315 10.383 1.00 0.00 O ATOM 1336 CB ASN A 106 6.158 -1.510 11.041 1.00 0.00 C ATOM 1337 CG ASN A 106 4.702 -1.432 11.463 1.00 0.00 C ATOM 1338 OD1 ASN A 106 3.800 -1.753 10.690 1.00 0.00 O ATOM 1339 ND2 ASN A 106 4.463 -1.003 12.693 1.00 0.00 N ATOM 0 H ASN A 106 8.361 -0.336 9.987 1.00 0.00 H new ATOM 0 HA ASN A 106 5.910 -1.596 8.912 1.00 0.00 H new ATOM 0 HB2 ASN A 106 6.486 -2.549 11.066 1.00 0.00 H new ATOM 0 HB3 ASN A 106 6.772 -0.965 11.758 1.00 0.00 H new ATOM 0 HD21 ASN A 106 3.503 -0.929 13.030 1.00 0.00 H new ATOM 0 HD22 ASN A 106 5.239 -0.746 13.303 1.00 0.00 H new ATOM 1346 N LYS A 107 4.942 0.656 8.534 1.00 0.00 N ATOM 1347 CA LYS A 107 4.295 1.943 8.331 1.00 0.00 C ATOM 1348 C LYS A 107 2.781 1.777 8.321 1.00 0.00 C ATOM 1349 O LYS A 107 2.214 1.238 7.370 1.00 0.00 O ATOM 1350 CB LYS A 107 4.772 2.583 7.023 1.00 0.00 C ATOM 1351 CG LYS A 107 6.259 2.401 6.759 1.00 0.00 C ATOM 1352 CD LYS A 107 7.105 3.325 7.625 1.00 0.00 C ATOM 1353 CE LYS A 107 8.175 2.556 8.389 1.00 0.00 C ATOM 1354 NZ LYS A 107 9.519 3.166 8.232 1.00 0.00 N ATOM 0 H LYS A 107 4.708 -0.049 7.836 1.00 0.00 H new ATOM 0 HA LYS A 107 4.567 2.602 9.155 1.00 0.00 H new ATOM 0 HB2 LYS A 107 4.210 2.155 6.193 1.00 0.00 H new ATOM 0 HB3 LYS A 107 4.544 3.649 7.046 1.00 0.00 H new ATOM 0 HG2 LYS A 107 6.538 1.365 6.952 1.00 0.00 H new ATOM 0 HG3 LYS A 107 6.468 2.597 5.707 1.00 0.00 H new ATOM 0 HD2 LYS A 107 7.578 4.080 6.997 1.00 0.00 H new ATOM 0 HD3 LYS A 107 6.463 3.853 8.330 1.00 0.00 H new ATOM 0 HE2 LYS A 107 7.913 2.524 9.447 1.00 0.00 H new ATOM 0 HE3 LYS A 107 8.202 1.525 8.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 10.085 2.984 9.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 9.995 2.750 7.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 9.421 4.192 8.094 1.00 0.00 H new ATOM 1368 N PRO A 108 2.113 2.219 9.395 1.00 0.00 N ATOM 1369 CA PRO A 108 0.660 2.114 9.529 1.00 0.00 C ATOM 1370 C PRO A 108 -0.080 3.087 8.612 1.00 0.00 C ATOM 1371 O PRO A 108 0.372 4.213 8.386 1.00 0.00 O ATOM 1372 CB PRO A 108 0.395 2.460 11.004 1.00 0.00 C ATOM 1373 CG PRO A 108 1.738 2.508 11.659 1.00 0.00 C ATOM 1374 CD PRO A 108 2.719 2.843 10.576 1.00 0.00 C ATOM 0 HA PRO A 108 0.303 1.124 9.245 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -0.119 3.417 11.095 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -0.242 1.710 11.473 1.00 0.00 H new ATOM 0 HG2 PRO A 108 1.759 3.258 12.449 1.00 0.00 H new ATOM 0 HG3 PRO A 108 1.980 1.551 12.121 1.00 0.00 H new ATOM 0 HD2 PRO A 108 2.834 3.920 10.452 1.00 0.00 H new ATOM 0 HD3 PRO A 108 3.709 2.438 10.786 1.00 0.00 H new ATOM 1382 N ALA A 109 -1.214 2.632 8.084 1.00 0.00 N ATOM 1383 CA ALA A 109 -2.062 3.440 7.212 1.00 0.00 C ATOM 1384 C ALA A 109 -2.555 4.698 7.919 1.00 0.00 C ATOM 1385 O ALA A 109 -3.576 4.674 8.610 1.00 0.00 O ATOM 1386 CB ALA A 109 -3.244 2.622 6.708 1.00 0.00 C ATOM 0 H ALA A 109 -1.571 1.691 8.249 1.00 0.00 H new ATOM 0 HA ALA A 109 -1.457 3.750 6.360 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -3.865 3.241 6.060 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -2.878 1.762 6.147 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -3.836 2.277 7.556 1.00 0.00 H new ATOM 1392 N LEU A 110 -1.803 5.779 7.752 1.00 0.00 N ATOM 1393 CA LEU A 110 -2.145 7.078 8.318 1.00 0.00 C ATOM 1394 C LEU A 110 -1.046 8.077 7.999 1.00 0.00 C ATOM 1395 O LEU A 110 -1.313 9.189 7.546 1.00 0.00 O ATOM 1396 CB LEU A 110 -2.336 6.995 9.839 1.00 0.00 C ATOM 1397 CG LEU A 110 -3.437 7.896 10.414 1.00 0.00 C ATOM 1398 CD1 LEU A 110 -2.910 9.301 10.662 1.00 0.00 C ATOM 1399 CD2 LEU A 110 -4.648 7.935 9.489 1.00 0.00 C ATOM 0 H LEU A 110 -0.934 5.779 7.217 1.00 0.00 H new ATOM 0 HA LEU A 110 -3.086 7.403 7.875 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -2.560 5.962 10.104 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -1.392 7.250 10.321 1.00 0.00 H new ATOM 0 HG LEU A 110 -3.751 7.474 11.368 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -3.708 9.922 11.070 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -2.084 9.260 11.372 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -2.560 9.730 9.723 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -5.414 8.580 9.919 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -4.350 8.325 8.516 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -5.047 6.928 9.370 1.00 0.00 H new ATOM 1411 N SER A 111 0.190 7.661 8.225 1.00 0.00 N ATOM 1412 CA SER A 111 1.337 8.532 8.039 1.00 0.00 C ATOM 1413 C SER A 111 2.073 8.207 6.743 1.00 0.00 C ATOM 1414 O SER A 111 2.320 7.044 6.428 1.00 0.00 O ATOM 1415 CB SER A 111 2.280 8.398 9.234 1.00 0.00 C ATOM 1416 OG SER A 111 1.564 8.007 10.399 1.00 0.00 O ATOM 0 H SER A 111 0.424 6.719 8.539 1.00 0.00 H new ATOM 0 HA SER A 111 0.983 9.561 7.970 1.00 0.00 H new ATOM 0 HB2 SER A 111 3.053 7.662 9.013 1.00 0.00 H new ATOM 0 HB3 SER A 111 2.785 9.347 9.413 1.00 0.00 H new ATOM 0 HG SER A 111 2.185 7.925 11.153 1.00 0.00 H new ATOM 1422 N GLY A 112 2.395 9.247 5.987 1.00 0.00 N ATOM 1423 CA GLY A 112 3.168 9.083 4.774 1.00 0.00 C ATOM 1424 C GLY A 112 2.870 10.179 3.777 1.00 0.00 C ATOM 1425 O GLY A 112 3.780 10.831 3.259 1.00 0.00 O ATOM 0 H GLY A 112 2.131 10.210 6.196 1.00 0.00 H new ATOM 0 HA2 GLY A 112 4.231 9.088 5.015 1.00 0.00 H new ATOM 0 HA3 GLY A 112 2.946 8.113 4.328 1.00 0.00 H new ATOM 1429 N ASN A 113 1.584 10.400 3.551 1.00 0.00 N ATOM 1430 CA ASN A 113 1.103 11.397 2.599 1.00 0.00 C ATOM 1431 C ASN A 113 -0.417 11.437 2.644 1.00 0.00 C ATOM 1432 O ASN A 113 -1.030 12.489 2.482 1.00 0.00 O ATOM 1433 CB ASN A 113 1.589 11.079 1.172 1.00 0.00 C ATOM 1434 CG ASN A 113 0.602 11.499 0.092 1.00 0.00 C ATOM 1435 OD1 ASN A 113 0.368 12.688 -0.129 1.00 0.00 O ATOM 1436 ND2 ASN A 113 0.030 10.521 -0.597 1.00 0.00 N ATOM 0 H ASN A 113 0.838 9.891 4.025 1.00 0.00 H new ATOM 0 HA ASN A 113 1.503 12.372 2.875 1.00 0.00 H new ATOM 0 HB2 ASN A 113 2.541 11.581 1.000 1.00 0.00 H new ATOM 0 HB3 ASN A 113 1.774 10.008 1.089 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -0.631 10.741 -1.342 1.00 0.00 H new ATOM 0 HD22 ASN A 113 0.251 9.549 -0.382 1.00 0.00 H new ATOM 1443 N LEU A 114 -1.012 10.272 2.896 1.00 0.00 N ATOM 1444 CA LEU A 114 -2.463 10.131 2.941 1.00 0.00 C ATOM 1445 C LEU A 114 -3.064 10.840 4.154 1.00 0.00 C ATOM 1446 O LEU A 114 -4.256 11.127 4.156 1.00 0.00 O ATOM 1447 CB LEU A 114 -2.849 8.648 2.953 1.00 0.00 C ATOM 1448 CG LEU A 114 -2.366 7.858 4.172 1.00 0.00 C ATOM 1449 CD1 LEU A 114 -3.521 7.097 4.805 1.00 0.00 C ATOM 1450 CD2 LEU A 114 -1.246 6.903 3.780 1.00 0.00 C ATOM 0 H LEU A 114 -0.504 9.406 3.073 1.00 0.00 H new ATOM 0 HA LEU A 114 -2.869 10.603 2.046 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -3.935 8.571 2.898 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -2.450 8.178 2.054 1.00 0.00 H new ATOM 0 HG LEU A 114 -1.975 8.562 4.906 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -3.160 6.541 5.670 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -4.290 7.801 5.122 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -3.942 6.403 4.077 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -0.915 6.350 4.659 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -1.611 6.204 3.027 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -0.410 7.471 3.373 1.00 0.00 H new ATOM 1462 N GLU A 115 -2.216 11.094 5.168 1.00 0.00 N ATOM 1463 CA GLU A 115 -2.570 11.832 6.401 1.00 0.00 C ATOM 1464 C GLU A 115 -4.078 11.923 6.654 1.00 0.00 C ATOM 1465 O GLU A 115 -4.689 12.969 6.413 1.00 0.00 O ATOM 1466 CB GLU A 115 -1.973 13.242 6.357 1.00 0.00 C ATOM 1467 CG GLU A 115 -0.532 13.284 5.878 1.00 0.00 C ATOM 1468 CD GLU A 115 0.411 12.505 6.773 1.00 0.00 C ATOM 1469 OE1 GLU A 115 0.520 12.841 7.969 1.00 0.00 O ATOM 1470 OE2 GLU A 115 1.054 11.556 6.280 1.00 0.00 O ATOM 0 H GLU A 115 -1.244 10.786 5.155 1.00 0.00 H new ATOM 0 HA GLU A 115 -2.148 11.261 7.228 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -2.582 13.864 5.701 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -2.028 13.681 7.353 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -0.479 12.882 4.866 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -0.202 14.322 5.827 1.00 0.00 H new ATOM 1477 N HIS A 116 -4.657 10.826 7.150 1.00 0.00 N ATOM 1478 CA HIS A 116 -6.101 10.726 7.414 1.00 0.00 C ATOM 1479 C HIS A 116 -6.892 10.717 6.106 1.00 0.00 C ATOM 1480 O HIS A 116 -7.298 9.662 5.620 1.00 0.00 O ATOM 1481 CB HIS A 116 -6.614 11.867 8.313 1.00 0.00 C ATOM 1482 CG HIS A 116 -5.865 12.045 9.598 1.00 0.00 C ATOM 1483 ND1 HIS A 116 -6.239 11.442 10.777 1.00 0.00 N ATOM 1484 CD2 HIS A 116 -4.771 12.787 9.890 1.00 0.00 C ATOM 1485 CE1 HIS A 116 -5.414 11.806 11.737 1.00 0.00 C ATOM 1486 NE2 HIS A 116 -4.511 12.621 11.227 1.00 0.00 N ATOM 0 H HIS A 116 -4.139 9.978 7.381 1.00 0.00 H new ATOM 0 HA HIS A 116 -6.254 9.785 7.943 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -6.569 12.800 7.751 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -7.663 11.684 8.544 1.00 0.00 H new ATOM 0 HD1 HIS A 116 -7.032 10.811 10.890 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -4.208 13.396 9.199 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -5.468 11.490 12.768 1.00 0.00 H new ATOM 1495 N HIS A 117 -7.096 11.899 5.541 1.00 0.00 N ATOM 1496 CA HIS A 117 -7.841 12.050 4.301 1.00 0.00 C ATOM 1497 C HIS A 117 -7.183 13.128 3.442 1.00 0.00 C ATOM 1498 O HIS A 117 -7.706 14.233 3.283 1.00 0.00 O ATOM 1499 CB HIS A 117 -9.307 12.403 4.603 1.00 0.00 C ATOM 1500 CG HIS A 117 -10.163 12.612 3.386 1.00 0.00 C ATOM 1501 ND1 HIS A 117 -11.078 13.636 3.280 1.00 0.00 N ATOM 1502 CD2 HIS A 117 -10.229 11.934 2.216 1.00 0.00 C ATOM 1503 CE1 HIS A 117 -11.667 13.581 2.103 1.00 0.00 C ATOM 1504 NE2 HIS A 117 -11.172 12.557 1.434 1.00 0.00 N ATOM 0 H HIS A 117 -6.751 12.777 5.929 1.00 0.00 H new ATOM 0 HA HIS A 117 -7.829 11.109 3.751 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -9.743 11.605 5.205 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -9.332 13.309 5.208 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -9.648 11.064 1.947 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -12.427 14.260 1.746 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -11.444 12.275 0.492 1.00 0.00 H new ATOM 1513 N HIS A 118 -6.017 12.806 2.915 1.00 0.00 N ATOM 1514 CA HIS A 118 -5.265 13.735 2.091 1.00 0.00 C ATOM 1515 C HIS A 118 -5.278 13.301 0.637 1.00 0.00 C ATOM 1516 O HIS A 118 -4.841 12.198 0.304 1.00 0.00 O ATOM 1517 CB HIS A 118 -3.820 13.826 2.578 1.00 0.00 C ATOM 1518 CG HIS A 118 -3.459 15.144 3.179 1.00 0.00 C ATOM 1519 ND1 HIS A 118 -2.293 15.811 2.880 1.00 0.00 N ATOM 1520 CD2 HIS A 118 -4.109 15.911 4.081 1.00 0.00 C ATOM 1521 CE1 HIS A 118 -2.241 16.930 3.573 1.00 0.00 C ATOM 1522 NE2 HIS A 118 -3.331 17.018 4.310 1.00 0.00 N ATOM 0 H HIS A 118 -5.566 11.900 3.044 1.00 0.00 H new ATOM 0 HA HIS A 118 -5.739 14.713 2.172 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -3.647 13.043 3.316 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -3.153 13.626 1.740 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -5.063 15.694 4.537 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -1.440 17.654 3.543 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -3.558 17.783 4.945 1.00 0.00 H new ATOM 1531 N HIS A 119 -5.798 14.158 -0.222 1.00 0.00 N ATOM 1532 CA HIS A 119 -5.715 13.940 -1.655 1.00 0.00 C ATOM 1533 C HIS A 119 -4.525 14.728 -2.206 1.00 0.00 C ATOM 1534 O HIS A 119 -3.575 15.006 -1.475 1.00 0.00 O ATOM 1535 CB HIS A 119 -7.021 14.357 -2.343 1.00 0.00 C ATOM 1536 CG HIS A 119 -7.411 13.467 -3.490 1.00 0.00 C ATOM 1537 ND1 HIS A 119 -8.596 13.600 -4.180 1.00 0.00 N ATOM 1538 CD2 HIS A 119 -6.753 12.441 -4.080 1.00 0.00 C ATOM 1539 CE1 HIS A 119 -8.647 12.698 -5.143 1.00 0.00 C ATOM 1540 NE2 HIS A 119 -7.541 11.979 -5.105 1.00 0.00 N ATOM 0 H HIS A 119 -6.283 15.013 0.048 1.00 0.00 H new ATOM 0 HA HIS A 119 -5.567 12.879 -1.857 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -7.825 14.359 -1.607 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -6.919 15.380 -2.706 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -5.785 12.056 -3.796 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -9.458 12.570 -5.844 1.00 0.00 H new ATOM 0 HE2 HIS A 119 -7.310 11.209 -5.732 1.00 0.00 H new ATOM 1549 N HIS A 120 -4.570 15.097 -3.472 1.00 0.00 N ATOM 1550 CA HIS A 120 -3.482 15.851 -4.066 1.00 0.00 C ATOM 1551 C HIS A 120 -3.990 17.179 -4.605 1.00 0.00 C ATOM 1552 O HIS A 120 -5.010 17.694 -4.145 1.00 0.00 O ATOM 1553 CB HIS A 120 -2.811 15.041 -5.178 1.00 0.00 C ATOM 1554 CG HIS A 120 -1.439 14.572 -4.814 1.00 0.00 C ATOM 1555 ND1 HIS A 120 -0.291 15.107 -5.356 1.00 0.00 N ATOM 1556 CD2 HIS A 120 -1.035 13.623 -3.939 1.00 0.00 C ATOM 1557 CE1 HIS A 120 0.760 14.505 -4.832 1.00 0.00 C ATOM 1558 NE2 HIS A 120 0.337 13.602 -3.969 1.00 0.00 N ATOM 0 H HIS A 120 -5.342 14.889 -4.105 1.00 0.00 H new ATOM 0 HA HIS A 120 -2.740 16.053 -3.294 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -3.432 14.178 -5.416 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -2.753 15.651 -6.080 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -1.673 12.999 -3.331 1.00 0.00 H new ATOM 0 HE1 HIS A 120 1.792 14.716 -5.070 1.00 0.00 H new ATOM 0 HE2 HIS A 120 0.933 12.988 -3.414 1.00 0.00 H new ATOM 1567 N HIS A 121 -3.281 17.726 -5.575 1.00 0.00 N ATOM 1568 CA HIS A 121 -3.657 18.989 -6.178 1.00 0.00 C ATOM 1569 C HIS A 121 -3.547 18.889 -7.689 1.00 0.00 C ATOM 1570 O HIS A 121 -4.342 19.545 -8.386 1.00 0.00 O ATOM 1571 CB HIS A 121 -2.764 20.112 -5.652 1.00 0.00 C ATOM 1572 CG HIS A 121 -3.256 21.484 -6.000 1.00 0.00 C ATOM 1573 ND1 HIS A 121 -2.504 22.393 -6.707 1.00 0.00 N ATOM 1574 CD2 HIS A 121 -4.432 22.099 -5.730 1.00 0.00 C ATOM 1575 CE1 HIS A 121 -3.192 23.509 -6.854 1.00 0.00 C ATOM 1576 NE2 HIS A 121 -4.366 23.357 -6.271 1.00 0.00 N ATOM 1577 OXT HIS A 121 -2.672 18.138 -8.169 1.00 0.00 O ATOM 0 H HIS A 121 -2.435 17.310 -5.964 1.00 0.00 H new ATOM 0 HA HIS A 121 -4.689 19.217 -5.913 1.00 0.00 H new ATOM 0 HB2 HIS A 121 -2.688 20.027 -4.568 1.00 0.00 H new ATOM 0 HB3 HIS A 121 -1.759 19.983 -6.053 1.00 0.00 H new ATOM 0 HD2 HIS A 121 -5.266 21.677 -5.189 1.00 0.00 H new ATOM 0 HE1 HIS A 121 -2.852 24.397 -7.365 1.00 0.00 H new ATOM 0 HE2 HIS A 121 -5.104 24.060 -6.230 1.00 0.00 H new TER 1586 HIS A 121