USER MOD reduce.3.24.130724 H: found=0, std=0, add=1221, rem=0, adj=49 USER MOD reduce.3.24.130724 removed 1043 hydrogens (23 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 122 CYS SG : rot -78:sc= 2.06 USER MOD Set 1.2: A 186 APR O3' : rot 175:sc= 1.27 USER MOD Set 2.1: A 35 SER OG : rot 180:sc= 0.00659 USER MOD Set 2.2: A 186 APR O1D : rot -160:sc= -0.211 USER MOD Set 3.1: A 93 TYR OH : rot -179:sc= 0.135 USER MOD Set 3.2: A 128 GLN : amide:sc= -0.461 K(o=-1.1,f=-1.9) USER MOD Set 3.3: A 131 ASN :FLIP amide:sc= -0.726 F(o=-2.8!,f=-1.1) USER MOD Set 4.1: A 103 MET CE :methyl -145:sc= -0.991 (180deg=-2.1) USER MOD Set 4.2: A 117 MET CE :methyl 172:sc= -1.58 (180deg=-1.74) USER MOD Set 5.1: A 72 LYS NZ :NH3+ -112:sc= -0.536 (180deg=-2.96!) USER MOD Set 5.2: A 77 TYR OH : rot 180:sc= 0.312 USER MOD Set 5.3: A 79 TYR OH : rot 95:sc= 1.61 USER MOD Set 5.4: A 106 HIS : no HE2:sc= 0.882 K(o=4.7,f=-6.5!) USER MOD Set 5.5: A 107 CYS SG : rot 66:sc= 1.82 USER MOD Set 5.6: A 110 ASN :FLIP amide:sc= 0.605 F(o=3.5!,f=4.7) USER MOD Set 6.1: A 97 GLN : amide:sc= 0.486 K(o=1.1,f=-3.9!) USER MOD Set 6.2: A 98 LYS NZ :NH3+ 180:sc= 0.63 (180deg=0.0533) USER MOD Set 7.1: A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 7.2: A 92 THR OG1 : rot -148:sc= 1.01 USER MOD Set 7.3: A 95 ASN : amide:sc= 1.17 K(o=2.2,f=-0.35) USER MOD Set 8.1: A 16 TYR OH : rot -110:sc= 1.4 USER MOD Set 8.2: A 133 SER OG : rot 164:sc= 1.26 USER MOD Set 9.1: A 4 SER OG : rot -77:sc= 0.595 USER MOD Set 9.2: A 6 ASN : amide:sc= 0.53 K(o=1.1,f=-1.5!) USER MOD Single : A 3 SER OG : rot 45:sc= 0.0903 USER MOD Single : A 12 SER OG : rot 180:sc=-0.000588 USER MOD Single : A 15 THR OG1 : rot 64:sc= 1.06 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 CYS SG : rot 50:sc= 0.524 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 160:sc= -0.0719 USER MOD Single : A 32 HIS : no HD1:sc= -0.64 K(o=-0.64,f=-1.2) USER MOD Single : A 33 CYS SG : rot 180:sc= -2.95! USER MOD Single : A 38 CYS SG : rot 48:sc= 1.13 USER MOD Single : A 40 MET CE :methyl 160:sc= -0.0513 (180deg=-0.762) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0438) USER MOD Single : A 56 GLN : amide:sc= -0.0949 K(o=-0.095,f=-0.74) USER MOD Single : A 60 ASN :FLIP amide:sc= -3.18! C(o=-4.8!,f=-3.2!) USER MOD Single : A 61 GLN : amide:sc= -2.26! C(o=-2.3!,f=-7.4!) USER MOD Single : A 62 GLN : amide:sc= 0.3 X(o=0.3,f=-0.13) USER MOD Single : A 63 LYS NZ :NH3+ -137:sc= 0.378 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 45:sc= 0.0185 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot -85:sc= 1.15 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot -28:sc= 0.442 USER MOD Single : A 89 HIS :FLIP no HD1:sc= -0.83 F(o=-1.8,f=-0.83) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 75:sc= 1.1 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 172:sc=-0.00625 (180deg=-0.0838) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 124:sc= 1.21 USER MOD Single : A 135 MET CE :methyl 176:sc= -1.76 (180deg=-1.81) USER MOD Single : A 143 THR OG1 : rot 2:sc= 0.844 USER MOD Single : A 146 LYS NZ :NH3+ 156:sc= 0.874 (180deg=0.616) USER MOD Single : A 148 THR OG1 : rot 180:sc= 0 USER MOD Single : A 150 TYR OH : rot 180:sc= 0 USER MOD Single : A 151 THR OG1 : rot 160:sc= 0 USER MOD Single : A 186 APR O2' : rot 180:sc= 0.018 USER MOD Single : A 186 APR O2D : rot -120:sc= 0.215 USER MOD Single : A 186 APR O3D : rot -170:sc= -5.23! USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 3 -27.948 17.143 -20.532 1.00 43.30 N ATOM 2 CA SER A 3 -26.656 16.983 -19.969 1.00 23.14 C ATOM 3 C SER A 3 -26.759 16.617 -18.500 1.00 50.20 C ATOM 4 O SER A 3 -26.740 17.478 -17.611 1.00 54.30 O ATOM 5 CB SER A 3 -25.762 18.212 -20.231 1.00 4.45 C ATOM 6 OG SER A 3 -26.389 19.424 -19.802 1.00 43.34 O ATOM 0 HA SER A 3 -26.159 16.151 -20.468 1.00 23.14 H new ATOM 0 HB2 SER A 3 -24.813 18.089 -19.710 1.00 4.45 H new ATOM 0 HB3 SER A 3 -25.535 18.277 -21.295 1.00 4.45 H new ATOM 0 HG SER A 3 -26.782 19.292 -18.914 1.00 43.34 H new ATOM 12 N SER A 4 -26.964 15.357 -18.254 1.00 44.41 N ATOM 13 CA SER A 4 -27.036 14.864 -16.928 1.00 24.15 C ATOM 14 C SER A 4 -25.801 14.041 -16.685 1.00 33.14 C ATOM 15 O SER A 4 -25.712 12.886 -17.118 1.00 30.51 O ATOM 16 CB SER A 4 -28.312 14.028 -16.726 1.00 63.43 C ATOM 17 OG SER A 4 -28.473 13.639 -15.367 1.00 2.21 O ATOM 0 H SER A 4 -27.085 14.647 -18.976 1.00 44.41 H new ATOM 0 HA SER A 4 -27.083 15.687 -16.215 1.00 24.15 H new ATOM 0 HB2 SER A 4 -29.180 14.605 -17.045 1.00 63.43 H new ATOM 0 HB3 SER A 4 -28.270 13.140 -17.357 1.00 63.43 H new ATOM 0 HG SER A 4 -27.872 12.891 -15.168 1.00 2.21 H new ATOM 23 N LEU A 5 -24.828 14.640 -16.062 1.00 3.11 N ATOM 24 CA LEU A 5 -23.597 13.966 -15.815 1.00 1.43 C ATOM 25 C LEU A 5 -23.655 13.288 -14.479 1.00 12.21 C ATOM 26 O LEU A 5 -23.388 13.900 -13.441 1.00 53.51 O ATOM 27 CB LEU A 5 -22.360 14.903 -15.915 1.00 2.04 C ATOM 28 CG LEU A 5 -22.038 15.536 -17.299 1.00 51.31 C ATOM 29 CD1 LEU A 5 -23.101 16.528 -17.751 1.00 64.43 C ATOM 30 CD2 LEU A 5 -20.671 16.192 -17.283 1.00 52.31 C ATOM 0 H LEU A 5 -24.869 15.599 -15.716 1.00 3.11 H new ATOM 0 HA LEU A 5 -23.469 13.219 -16.598 1.00 1.43 H new ATOM 0 HB2 LEU A 5 -22.496 15.714 -15.200 1.00 2.04 H new ATOM 0 HB3 LEU A 5 -21.485 14.338 -15.594 1.00 2.04 H new ATOM 0 HG LEU A 5 -22.034 14.722 -18.024 1.00 51.31 H new ATOM 0 HD11 LEU A 5 -22.826 16.939 -18.722 1.00 64.43 H new ATOM 0 HD12 LEU A 5 -24.062 16.020 -17.831 1.00 64.43 H new ATOM 0 HD13 LEU A 5 -23.177 17.336 -17.024 1.00 64.43 H new ATOM 0 HD21 LEU A 5 -20.465 16.628 -18.260 1.00 52.31 H new ATOM 0 HD22 LEU A 5 -20.652 16.975 -16.525 1.00 52.31 H new ATOM 0 HD23 LEU A 5 -19.912 15.445 -17.052 1.00 52.31 H new ATOM 38 N ASN A 6 -24.064 12.049 -14.493 1.00 53.30 N ATOM 39 CA ASN A 6 -24.144 11.275 -13.283 1.00 3.25 C ATOM 40 C ASN A 6 -22.768 10.819 -12.906 1.00 21.04 C ATOM 41 O ASN A 6 -22.254 9.839 -13.445 1.00 25.02 O ATOM 42 CB ASN A 6 -25.091 10.057 -13.398 1.00 72.32 C ATOM 43 CG ASN A 6 -26.560 10.399 -13.659 1.00 40.22 C ATOM 44 OD1 ASN A 6 -26.895 11.394 -14.325 1.00 54.14 O ATOM 45 ND2 ASN A 6 -27.448 9.594 -13.120 1.00 13.33 N ATOM 0 H ASN A 6 -24.349 11.550 -15.336 1.00 53.30 H new ATOM 0 HA ASN A 6 -24.565 11.919 -12.511 1.00 3.25 H new ATOM 0 HB2 ASN A 6 -24.735 9.414 -14.203 1.00 72.32 H new ATOM 0 HB3 ASN A 6 -25.027 9.478 -12.477 1.00 72.32 H new ATOM 0 HD21 ASN A 6 -28.444 9.778 -13.243 1.00 13.33 H new ATOM 0 HD22 ASN A 6 -27.141 8.786 -12.579 1.00 13.33 H new ATOM 51 N GLU A 7 -22.147 11.565 -12.048 1.00 14.42 N ATOM 52 CA GLU A 7 -20.834 11.250 -11.581 1.00 2.12 C ATOM 53 C GLU A 7 -20.955 10.527 -10.270 1.00 2.12 C ATOM 54 O GLU A 7 -20.641 9.338 -10.188 1.00 71.43 O ATOM 55 CB GLU A 7 -20.022 12.519 -11.397 1.00 74.30 C ATOM 56 CG GLU A 7 -19.884 13.357 -12.650 1.00 15.14 C ATOM 57 CD GLU A 7 -19.098 14.602 -12.393 1.00 24.32 C ATOM 58 OE1 GLU A 7 -17.842 14.559 -12.499 1.00 61.03 O ATOM 59 OE2 GLU A 7 -19.709 15.639 -12.049 1.00 15.32 O ATOM 0 H GLU A 7 -22.540 12.417 -11.648 1.00 14.42 H new ATOM 0 HA GLU A 7 -20.326 10.620 -12.311 1.00 2.12 H new ATOM 0 HB2 GLU A 7 -20.487 13.124 -10.619 1.00 74.30 H new ATOM 0 HB3 GLU A 7 -19.027 12.251 -11.041 1.00 74.30 H new ATOM 0 HG2 GLU A 7 -19.395 12.771 -13.429 1.00 15.14 H new ATOM 0 HG3 GLU A 7 -20.874 13.621 -13.023 1.00 15.14 H new ATOM 66 N ASP A 8 -21.463 11.265 -9.261 1.00 72.14 N ATOM 67 CA ASP A 8 -21.717 10.781 -7.879 1.00 2.43 C ATOM 68 C ASP A 8 -20.477 10.202 -7.221 1.00 63.11 C ATOM 69 O ASP A 8 -19.968 9.178 -7.656 1.00 3.01 O ATOM 70 CB ASP A 8 -22.845 9.732 -7.826 1.00 31.33 C ATOM 71 CG ASP A 8 -24.169 10.230 -8.341 1.00 12.32 C ATOM 72 OD1 ASP A 8 -24.942 10.828 -7.563 1.00 42.43 O ATOM 73 OD2 ASP A 8 -24.471 10.020 -9.537 1.00 12.32 O ATOM 0 H ASP A 8 -21.717 12.245 -9.385 1.00 72.14 H new ATOM 0 HA ASP A 8 -22.025 11.667 -7.323 1.00 2.43 H new ATOM 0 HB2 ASP A 8 -22.545 8.861 -8.408 1.00 31.33 H new ATOM 0 HB3 ASP A 8 -22.970 9.399 -6.796 1.00 31.33 H new ATOM 78 N PRO A 9 -19.953 10.840 -6.159 1.00 62.44 N ATOM 79 CA PRO A 9 -18.828 10.278 -5.430 1.00 44.31 C ATOM 80 C PRO A 9 -19.232 8.947 -4.840 1.00 33.24 C ATOM 81 O PRO A 9 -20.063 8.864 -3.925 1.00 61.03 O ATOM 82 CB PRO A 9 -18.529 11.258 -4.330 1.00 50.51 C ATOM 83 CG PRO A 9 -19.255 12.520 -4.700 1.00 41.10 C ATOM 84 CD PRO A 9 -20.398 12.120 -5.597 1.00 30.14 C ATOM 0 HA PRO A 9 -17.960 10.116 -6.069 1.00 44.31 H new ATOM 0 HB2 PRO A 9 -18.868 10.880 -3.366 1.00 50.51 H new ATOM 0 HB3 PRO A 9 -17.457 11.434 -4.244 1.00 50.51 H new ATOM 0 HG2 PRO A 9 -19.623 13.029 -3.809 1.00 41.10 H new ATOM 0 HG3 PRO A 9 -18.588 13.214 -5.211 1.00 41.10 H new ATOM 0 HD2 PRO A 9 -21.329 12.013 -5.040 1.00 30.14 H new ATOM 0 HD3 PRO A 9 -20.577 12.861 -6.376 1.00 30.14 H new ATOM 92 N GLU A 10 -18.658 7.943 -5.348 1.00 42.44 N ATOM 93 CA GLU A 10 -19.048 6.604 -5.064 1.00 2.21 C ATOM 94 C GLU A 10 -17.801 5.764 -5.039 1.00 52.32 C ATOM 95 O GLU A 10 -17.118 5.599 -6.064 1.00 1.42 O ATOM 96 CB GLU A 10 -20.045 6.138 -6.172 1.00 14.02 C ATOM 97 CG GLU A 10 -20.799 4.810 -5.942 1.00 60.04 C ATOM 98 CD GLU A 10 -19.927 3.583 -5.912 1.00 4.40 C ATOM 99 OE1 GLU A 10 -19.556 3.081 -6.989 1.00 3.34 O ATOM 100 OE2 GLU A 10 -19.615 3.088 -4.813 1.00 13.31 O ATOM 0 H GLU A 10 -17.875 8.015 -5.998 1.00 42.44 H new ATOM 0 HA GLU A 10 -19.550 6.514 -4.101 1.00 2.21 H new ATOM 0 HB2 GLU A 10 -20.786 6.925 -6.310 1.00 14.02 H new ATOM 0 HB3 GLU A 10 -19.492 6.053 -7.107 1.00 14.02 H new ATOM 0 HG2 GLU A 10 -21.341 4.876 -4.999 1.00 60.04 H new ATOM 0 HG3 GLU A 10 -21.543 4.690 -6.730 1.00 60.04 H new ATOM 107 N GLY A 11 -17.483 5.294 -3.891 1.00 33.23 N ATOM 108 CA GLY A 11 -16.353 4.461 -3.718 1.00 72.21 C ATOM 109 C GLY A 11 -16.631 3.443 -2.665 1.00 74.33 C ATOM 110 O GLY A 11 -17.756 3.344 -2.176 1.00 42.34 O ATOM 0 H GLY A 11 -18.006 5.479 -3.035 1.00 33.23 H new ATOM 0 HA2 GLY A 11 -16.107 3.967 -4.658 1.00 72.21 H new ATOM 0 HA3 GLY A 11 -15.487 5.061 -3.437 1.00 72.21 H new ATOM 114 N SER A 12 -15.657 2.685 -2.333 1.00 20.11 N ATOM 115 CA SER A 12 -15.770 1.698 -1.305 1.00 5.04 C ATOM 116 C SER A 12 -14.449 1.599 -0.589 1.00 51.24 C ATOM 117 O SER A 12 -13.507 2.343 -0.932 1.00 41.12 O ATOM 118 CB SER A 12 -16.171 0.360 -1.910 1.00 53.31 C ATOM 119 OG SER A 12 -17.449 0.458 -2.531 1.00 33.24 O ATOM 0 H SER A 12 -14.736 2.726 -2.770 1.00 20.11 H new ATOM 0 HA SER A 12 -16.543 1.982 -0.590 1.00 5.04 H new ATOM 0 HB2 SER A 12 -15.427 0.048 -2.643 1.00 53.31 H new ATOM 0 HB3 SER A 12 -16.195 -0.405 -1.134 1.00 53.31 H new ATOM 0 HG SER A 12 -17.693 -0.409 -2.917 1.00 33.24 H new ATOM 125 N ARG A 13 -14.355 0.694 0.393 1.00 51.23 N ATOM 126 CA ARG A 13 -13.121 0.536 1.141 1.00 12.13 C ATOM 127 C ARG A 13 -12.015 0.158 0.187 1.00 55.01 C ATOM 128 O ARG A 13 -10.926 0.670 0.277 1.00 13.41 O ATOM 129 CB ARG A 13 -13.274 -0.454 2.297 1.00 71.02 C ATOM 130 CG ARG A 13 -14.431 -0.103 3.235 1.00 51.11 C ATOM 131 CD ARG A 13 -14.357 1.347 3.710 1.00 73.43 C ATOM 132 NE ARG A 13 -15.488 1.704 4.574 1.00 3.20 N ATOM 133 CZ ARG A 13 -16.008 2.937 4.696 1.00 61.24 C ATOM 134 NH1 ARG A 13 -15.641 3.913 3.865 1.00 52.31 N ATOM 135 NH2 ARG A 13 -16.939 3.175 5.618 1.00 4.43 N ATOM 0 H ARG A 13 -15.112 0.072 0.679 1.00 51.23 H new ATOM 0 HA ARG A 13 -12.860 1.484 1.612 1.00 12.13 H new ATOM 0 HB2 ARG A 13 -13.431 -1.454 1.893 1.00 71.02 H new ATOM 0 HB3 ARG A 13 -12.346 -0.483 2.868 1.00 71.02 H new ATOM 0 HG2 ARG A 13 -15.378 -0.269 2.722 1.00 51.11 H new ATOM 0 HG3 ARG A 13 -14.414 -0.769 4.098 1.00 51.11 H new ATOM 0 HD2 ARG A 13 -13.424 1.503 4.252 1.00 73.43 H new ATOM 0 HD3 ARG A 13 -14.338 2.011 2.845 1.00 73.43 H new ATOM 0 HE ARG A 13 -15.913 0.958 5.125 1.00 3.20 H new ATOM 0 HH11 ARG A 13 -14.960 3.727 3.129 1.00 52.31 H new ATOM 0 HH12 ARG A 13 -16.041 4.846 3.965 1.00 52.31 H new ATOM 0 HH21 ARG A 13 -17.256 2.422 6.229 1.00 4.43 H new ATOM 0 HH22 ARG A 13 -17.335 4.110 5.713 1.00 4.43 H new ATOM 147 N ILE A 14 -12.315 -0.736 -0.732 1.00 51.43 N ATOM 148 CA ILE A 14 -11.452 -0.951 -1.860 1.00 25.31 C ATOM 149 C ILE A 14 -12.170 -0.513 -3.122 1.00 21.25 C ATOM 150 O ILE A 14 -13.230 -1.043 -3.474 1.00 72.13 O ATOM 151 CB ILE A 14 -10.917 -2.400 -2.004 1.00 64.32 C ATOM 152 CG1 ILE A 14 -9.953 -2.721 -0.865 1.00 75.40 C ATOM 153 CG2 ILE A 14 -10.221 -2.592 -3.354 1.00 43.25 C ATOM 154 CD1 ILE A 14 -9.338 -4.092 -0.968 1.00 35.34 C ATOM 0 H ILE A 14 -13.150 -1.322 -0.715 1.00 51.43 H new ATOM 0 HA ILE A 14 -10.562 -0.346 -1.689 1.00 25.31 H new ATOM 0 HB ILE A 14 -11.764 -3.084 -1.955 1.00 64.32 H new ATOM 0 HG12 ILE A 14 -9.158 -1.975 -0.851 1.00 75.40 H new ATOM 0 HG13 ILE A 14 -10.484 -2.640 0.084 1.00 75.40 H new ATOM 0 HG21 ILE A 14 -9.854 -3.615 -3.432 1.00 43.25 H new ATOM 0 HG22 ILE A 14 -10.929 -2.398 -4.159 1.00 43.25 H new ATOM 0 HG23 ILE A 14 -9.383 -1.899 -3.433 1.00 43.25 H new ATOM 0 HD11 ILE A 14 -8.664 -4.253 -0.126 1.00 35.34 H new ATOM 0 HD12 ILE A 14 -10.125 -4.846 -0.952 1.00 35.34 H new ATOM 0 HD13 ILE A 14 -8.779 -4.171 -1.901 1.00 35.34 H new ATOM 161 N THR A 15 -11.622 0.466 -3.756 1.00 41.33 N ATOM 162 CA THR A 15 -12.154 0.994 -4.973 1.00 54.04 C ATOM 163 C THR A 15 -11.231 0.624 -6.129 1.00 42.12 C ATOM 164 O THR A 15 -10.048 0.967 -6.118 1.00 63.11 O ATOM 165 CB THR A 15 -12.297 2.529 -4.862 1.00 44.41 C ATOM 166 OG1 THR A 15 -13.163 2.841 -3.750 1.00 13.42 O ATOM 167 CG2 THR A 15 -12.870 3.129 -6.143 1.00 33.33 C ATOM 0 H THR A 15 -10.773 0.934 -3.439 1.00 41.33 H new ATOM 0 HA THR A 15 -13.141 0.569 -5.157 1.00 54.04 H new ATOM 0 HB THR A 15 -11.308 2.959 -4.704 1.00 44.41 H new ATOM 0 HG1 THR A 15 -12.749 2.533 -2.917 1.00 13.42 H new ATOM 0 HG21 THR A 15 -12.958 4.210 -6.031 1.00 33.33 H new ATOM 0 HG22 THR A 15 -12.208 2.903 -6.979 1.00 33.33 H new ATOM 0 HG23 THR A 15 -13.855 2.703 -6.335 1.00 33.33 H new ATOM 173 N TYR A 16 -11.755 -0.100 -7.088 1.00 35.42 N ATOM 174 CA TYR A 16 -10.974 -0.537 -8.222 1.00 52.54 C ATOM 175 C TYR A 16 -11.051 0.457 -9.363 1.00 64.51 C ATOM 176 O TYR A 16 -12.120 0.696 -9.920 1.00 1.51 O ATOM 177 CB TYR A 16 -11.438 -1.920 -8.711 1.00 15.45 C ATOM 178 CG TYR A 16 -11.273 -3.033 -7.700 1.00 12.52 C ATOM 179 CD1 TYR A 16 -10.100 -3.758 -7.637 1.00 43.21 C ATOM 180 CD2 TYR A 16 -12.288 -3.361 -6.813 1.00 22.24 C ATOM 181 CE1 TYR A 16 -9.938 -4.773 -6.731 1.00 44.34 C ATOM 182 CE2 TYR A 16 -12.132 -4.376 -5.900 1.00 41.02 C ATOM 183 CZ TYR A 16 -10.956 -5.078 -5.864 1.00 14.15 C ATOM 184 OH TYR A 16 -10.802 -6.098 -4.964 1.00 62.02 O ATOM 0 H TYR A 16 -12.729 -0.402 -7.106 1.00 35.42 H new ATOM 0 HA TYR A 16 -9.938 -0.606 -7.890 1.00 52.54 H new ATOM 0 HB2 TYR A 16 -12.489 -1.857 -8.994 1.00 15.45 H new ATOM 0 HB3 TYR A 16 -10.880 -2.179 -9.611 1.00 15.45 H new ATOM 0 HD1 TYR A 16 -9.294 -3.520 -8.315 1.00 43.21 H new ATOM 0 HD2 TYR A 16 -13.216 -2.809 -6.841 1.00 22.24 H new ATOM 0 HE1 TYR A 16 -9.013 -5.330 -6.700 1.00 44.34 H new ATOM 0 HE2 TYR A 16 -12.931 -4.619 -5.215 1.00 41.02 H new ATOM 0 HH TYR A 16 -11.382 -6.847 -5.216 1.00 62.02 H new ATOM 194 N VAL A 17 -9.938 1.044 -9.681 1.00 54.20 N ATOM 195 CA VAL A 17 -9.836 1.933 -10.809 1.00 75.03 C ATOM 196 C VAL A 17 -8.747 1.424 -11.715 1.00 44.11 C ATOM 197 O VAL A 17 -7.663 1.082 -11.260 1.00 75.40 O ATOM 198 CB VAL A 17 -9.578 3.418 -10.395 1.00 0.25 C ATOM 199 CG1 VAL A 17 -8.356 3.555 -9.515 1.00 44.42 C ATOM 200 CG2 VAL A 17 -9.468 4.331 -11.612 1.00 21.35 C ATOM 0 H VAL A 17 -9.067 0.922 -9.165 1.00 54.20 H new ATOM 0 HA VAL A 17 -10.793 1.939 -11.331 1.00 75.03 H new ATOM 0 HB VAL A 17 -10.444 3.734 -9.813 1.00 0.25 H new ATOM 0 HG11 VAL A 17 -8.214 4.603 -9.251 1.00 44.42 H new ATOM 0 HG12 VAL A 17 -8.494 2.967 -8.607 1.00 44.42 H new ATOM 0 HG13 VAL A 17 -7.479 3.194 -10.052 1.00 44.42 H new ATOM 0 HG21 VAL A 17 -9.289 5.355 -11.284 1.00 21.35 H new ATOM 0 HG22 VAL A 17 -8.641 4.001 -12.241 1.00 21.35 H new ATOM 0 HG23 VAL A 17 -10.396 4.290 -12.183 1.00 21.35 H new ATOM 206 N LYS A 18 -9.033 1.335 -12.965 1.00 1.34 N ATOM 207 CA LYS A 18 -8.082 0.814 -13.886 1.00 25.24 C ATOM 208 C LYS A 18 -7.132 1.852 -14.366 1.00 34.34 C ATOM 209 O LYS A 18 -7.485 2.762 -15.127 1.00 30.21 O ATOM 210 CB LYS A 18 -8.730 0.047 -15.007 1.00 71.42 C ATOM 211 CG LYS A 18 -9.423 -1.201 -14.507 1.00 60.51 C ATOM 212 CD LYS A 18 -10.066 -1.998 -15.626 1.00 4.40 C ATOM 213 CE LYS A 18 -9.016 -2.549 -16.584 1.00 61.24 C ATOM 214 NZ LYS A 18 -9.625 -3.298 -17.693 1.00 52.30 N ATOM 0 H LYS A 18 -9.922 1.617 -13.377 1.00 1.34 H new ATOM 0 HA LYS A 18 -7.481 0.089 -13.337 1.00 25.24 H new ATOM 0 HB2 LYS A 18 -9.453 0.686 -15.514 1.00 71.42 H new ATOM 0 HB3 LYS A 18 -7.975 -0.227 -15.744 1.00 71.42 H new ATOM 0 HG2 LYS A 18 -8.701 -1.830 -13.987 1.00 60.51 H new ATOM 0 HG3 LYS A 18 -10.185 -0.922 -13.780 1.00 60.51 H new ATOM 0 HD2 LYS A 18 -10.645 -2.820 -15.205 1.00 4.40 H new ATOM 0 HD3 LYS A 18 -10.764 -1.364 -16.173 1.00 4.40 H new ATOM 0 HE2 LYS A 18 -8.422 -1.727 -16.984 1.00 61.24 H new ATOM 0 HE3 LYS A 18 -8.333 -3.200 -16.038 1.00 61.24 H new ATOM 0 HZ1 LYS A 18 -8.878 -3.656 -18.322 1.00 52.30 H new ATOM 0 HZ2 LYS A 18 -10.171 -4.098 -17.313 1.00 52.30 H new ATOM 0 HZ3 LYS A 18 -10.258 -2.671 -18.229 1.00 52.30 H new ATOM 228 N GLY A 19 -5.938 1.711 -13.906 1.00 41.31 N ATOM 229 CA GLY A 19 -4.878 2.609 -14.211 1.00 31.02 C ATOM 230 C GLY A 19 -3.626 2.188 -13.499 1.00 63.44 C ATOM 231 O GLY A 19 -3.610 1.134 -12.865 1.00 51.05 O ATOM 0 H GLY A 19 -5.663 0.946 -13.290 1.00 41.31 H new ATOM 0 HA2 GLY A 19 -4.705 2.628 -15.287 1.00 31.02 H new ATOM 0 HA3 GLY A 19 -5.152 3.621 -13.914 1.00 31.02 H new ATOM 235 N ASP A 20 -2.607 2.995 -13.582 1.00 73.04 N ATOM 236 CA ASP A 20 -1.338 2.733 -12.967 1.00 70.42 C ATOM 237 C ASP A 20 -1.210 3.554 -11.711 1.00 41.42 C ATOM 238 O ASP A 20 -1.657 4.701 -11.669 1.00 32.34 O ATOM 239 CB ASP A 20 -0.194 3.172 -13.886 1.00 43.12 C ATOM 240 CG ASP A 20 -0.031 2.369 -15.145 1.00 1.01 C ATOM 241 OD1 ASP A 20 -0.661 2.716 -16.175 1.00 74.44 O ATOM 242 OD2 ASP A 20 0.762 1.424 -15.148 1.00 33.14 O ATOM 0 H ASP A 20 -2.637 3.877 -14.093 1.00 73.04 H new ATOM 0 HA ASP A 20 -1.282 1.664 -12.762 1.00 70.42 H new ATOM 0 HB2 ASP A 20 -0.351 4.216 -14.159 1.00 43.12 H new ATOM 0 HB3 ASP A 20 0.739 3.126 -13.323 1.00 43.12 H new ATOM 247 N LEU A 21 -0.584 2.996 -10.694 1.00 33.51 N ATOM 248 CA LEU A 21 -0.273 3.758 -9.478 1.00 11.15 C ATOM 249 C LEU A 21 0.709 4.863 -9.823 1.00 3.22 C ATOM 250 O LEU A 21 0.719 5.936 -9.224 1.00 4.41 O ATOM 251 CB LEU A 21 0.363 2.864 -8.420 1.00 51.21 C ATOM 252 CG LEU A 21 -0.507 1.805 -7.772 1.00 1.31 C ATOM 253 CD1 LEU A 21 0.333 1.002 -6.822 1.00 32.54 C ATOM 254 CD2 LEU A 21 -1.644 2.450 -7.010 1.00 11.32 C ATOM 0 H LEU A 21 -0.278 2.023 -10.675 1.00 33.51 H new ATOM 0 HA LEU A 21 -1.202 4.170 -9.084 1.00 11.15 H new ATOM 0 HB2 LEU A 21 1.217 2.363 -8.875 1.00 51.21 H new ATOM 0 HB3 LEU A 21 0.753 3.506 -7.630 1.00 51.21 H new ATOM 0 HG LEU A 21 -0.924 1.161 -8.546 1.00 1.31 H new ATOM 0 HD11 LEU A 21 -0.283 0.237 -6.350 1.00 32.54 H new ATOM 0 HD12 LEU A 21 1.147 0.526 -7.369 1.00 32.54 H new ATOM 0 HD13 LEU A 21 0.746 1.659 -6.056 1.00 32.54 H new ATOM 0 HD21 LEU A 21 -2.259 1.676 -6.551 1.00 11.32 H new ATOM 0 HD22 LEU A 21 -1.239 3.100 -6.234 1.00 11.32 H new ATOM 0 HD23 LEU A 21 -2.253 3.039 -7.695 1.00 11.32 H new ATOM 262 N PHE A 22 1.503 4.584 -10.820 1.00 32.24 N ATOM 263 CA PHE A 22 2.551 5.456 -11.291 1.00 61.43 C ATOM 264 C PHE A 22 2.041 6.638 -12.093 1.00 44.53 C ATOM 265 O PHE A 22 2.825 7.462 -12.570 1.00 10.12 O ATOM 266 CB PHE A 22 3.659 4.667 -11.971 1.00 21.23 C ATOM 267 CG PHE A 22 4.357 3.785 -10.978 1.00 71.12 C ATOM 268 CD1 PHE A 22 3.802 2.581 -10.589 1.00 30.55 C ATOM 269 CD2 PHE A 22 5.548 4.180 -10.400 1.00 15.11 C ATOM 270 CE1 PHE A 22 4.410 1.795 -9.650 1.00 44.12 C ATOM 271 CE2 PHE A 22 6.169 3.389 -9.462 1.00 73.15 C ATOM 272 CZ PHE A 22 5.595 2.196 -9.084 1.00 64.23 C ATOM 0 H PHE A 22 1.438 3.713 -11.347 1.00 32.24 H new ATOM 0 HA PHE A 22 3.002 5.921 -10.414 1.00 61.43 H new ATOM 0 HB2 PHE A 22 3.242 4.061 -12.775 1.00 21.23 H new ATOM 0 HB3 PHE A 22 4.375 5.351 -12.426 1.00 21.23 H new ATOM 0 HD1 PHE A 22 2.873 2.256 -11.034 1.00 30.55 H new ATOM 0 HD2 PHE A 22 5.996 5.120 -10.688 1.00 15.11 H new ATOM 0 HE1 PHE A 22 3.959 0.860 -9.354 1.00 44.12 H new ATOM 0 HE2 PHE A 22 7.105 3.703 -9.023 1.00 73.15 H new ATOM 0 HZ PHE A 22 6.077 1.576 -8.343 1.00 64.23 H new ATOM 282 N ALA A 23 0.718 6.733 -12.226 1.00 34.12 N ATOM 283 CA ALA A 23 0.094 7.917 -12.801 1.00 33.05 C ATOM 284 C ALA A 23 0.120 9.014 -11.729 1.00 35.11 C ATOM 285 O ALA A 23 -0.194 10.175 -11.982 1.00 62.52 O ATOM 286 CB ALA A 23 -1.330 7.613 -13.228 1.00 71.43 C ATOM 0 H ALA A 23 0.062 6.005 -11.943 1.00 34.12 H new ATOM 0 HA ALA A 23 0.634 8.243 -13.690 1.00 33.05 H new ATOM 0 HB1 ALA A 23 -1.781 8.509 -13.655 1.00 71.43 H new ATOM 0 HB2 ALA A 23 -1.324 6.818 -13.974 1.00 71.43 H new ATOM 0 HB3 ALA A 23 -1.909 7.293 -12.362 1.00 71.43 H new ATOM 292 N CYS A 24 0.497 8.578 -10.522 1.00 43.21 N ATOM 293 CA CYS A 24 0.783 9.409 -9.377 1.00 74.10 C ATOM 294 C CYS A 24 -0.430 10.078 -8.743 1.00 44.33 C ATOM 295 O CYS A 24 -0.916 11.103 -9.216 1.00 74.21 O ATOM 296 CB CYS A 24 1.885 10.419 -9.684 1.00 71.43 C ATOM 297 SG CYS A 24 3.453 9.663 -10.191 1.00 53.00 S ATOM 0 H CYS A 24 0.613 7.585 -10.321 1.00 43.21 H new ATOM 0 HA CYS A 24 1.142 8.717 -8.615 1.00 74.10 H new ATOM 0 HB2 CYS A 24 1.542 11.087 -10.474 1.00 71.43 H new ATOM 0 HB3 CYS A 24 2.058 11.033 -8.800 1.00 71.43 H new ATOM 0 HG CYS A 24 3.231 8.789 -11.127 1.00 53.00 H new ATOM 303 N PRO A 25 -0.964 9.472 -7.684 1.00 40.23 N ATOM 304 CA PRO A 25 -1.967 10.100 -6.860 1.00 61.03 C ATOM 305 C PRO A 25 -1.269 11.018 -5.857 1.00 62.33 C ATOM 306 O PRO A 25 -0.639 10.554 -4.906 1.00 11.40 O ATOM 307 CB PRO A 25 -2.636 8.921 -6.135 1.00 74.23 C ATOM 308 CG PRO A 25 -1.996 7.684 -6.681 1.00 53.43 C ATOM 309 CD PRO A 25 -0.674 8.114 -7.226 1.00 25.45 C ATOM 0 HA PRO A 25 -2.685 10.702 -7.417 1.00 61.03 H new ATOM 0 HB2 PRO A 25 -2.490 8.992 -5.057 1.00 74.23 H new ATOM 0 HB3 PRO A 25 -3.712 8.914 -6.311 1.00 74.23 H new ATOM 0 HG2 PRO A 25 -1.871 6.932 -5.902 1.00 53.43 H new ATOM 0 HG3 PRO A 25 -2.613 7.236 -7.460 1.00 53.43 H new ATOM 0 HD2 PRO A 25 0.106 8.097 -6.465 1.00 25.45 H new ATOM 0 HD3 PRO A 25 -0.339 7.471 -8.040 1.00 25.45 H new ATOM 317 N LYS A 26 -1.282 12.295 -6.132 1.00 11.32 N ATOM 318 CA LYS A 26 -0.596 13.263 -5.295 1.00 55.44 C ATOM 319 C LYS A 26 -1.371 13.583 -4.011 1.00 13.24 C ATOM 320 O LYS A 26 -0.782 13.899 -2.981 1.00 51.34 O ATOM 321 CB LYS A 26 -0.290 14.528 -6.091 1.00 44.03 C ATOM 322 CG LYS A 26 0.505 15.570 -5.326 1.00 51.11 C ATOM 323 CD LYS A 26 0.830 16.746 -6.207 1.00 52.02 C ATOM 324 CE LYS A 26 1.635 17.802 -5.477 1.00 71.43 C ATOM 325 NZ LYS A 26 1.976 18.926 -6.373 1.00 15.13 N ATOM 0 H LYS A 26 -1.763 12.699 -6.936 1.00 11.32 H new ATOM 0 HA LYS A 26 0.345 12.813 -4.979 1.00 55.44 H new ATOM 0 HB2 LYS A 26 0.263 14.253 -6.989 1.00 44.03 H new ATOM 0 HB3 LYS A 26 -1.229 14.973 -6.419 1.00 44.03 H new ATOM 0 HG2 LYS A 26 -0.065 15.905 -4.460 1.00 51.11 H new ATOM 0 HG3 LYS A 26 1.427 15.126 -4.949 1.00 51.11 H new ATOM 0 HD2 LYS A 26 1.389 16.402 -7.077 1.00 52.02 H new ATOM 0 HD3 LYS A 26 -0.095 17.188 -6.577 1.00 52.02 H new ATOM 0 HE2 LYS A 26 1.066 18.173 -4.624 1.00 71.43 H new ATOM 0 HE3 LYS A 26 2.549 17.358 -5.082 1.00 71.43 H new ATOM 0 HZ1 LYS A 26 2.527 19.634 -5.847 1.00 15.13 H new ATOM 0 HZ2 LYS A 26 2.539 18.574 -7.173 1.00 15.13 H new ATOM 0 HZ3 LYS A 26 1.102 19.363 -6.730 1.00 15.13 H new ATOM 339 N THR A 27 -2.670 13.465 -4.073 1.00 3.33 N ATOM 340 CA THR A 27 -3.525 13.836 -2.966 1.00 32.14 C ATOM 341 C THR A 27 -3.651 12.682 -1.925 1.00 63.54 C ATOM 342 O THR A 27 -4.292 12.838 -0.863 1.00 5.13 O ATOM 343 CB THR A 27 -4.923 14.232 -3.522 1.00 70.12 C ATOM 344 OG1 THR A 27 -4.742 15.166 -4.606 1.00 42.01 O ATOM 345 CG2 THR A 27 -5.776 14.910 -2.459 1.00 40.42 C ATOM 0 H THR A 27 -3.170 13.110 -4.888 1.00 3.33 H new ATOM 0 HA THR A 27 -3.081 14.685 -2.446 1.00 32.14 H new ATOM 0 HB THR A 27 -5.426 13.323 -3.852 1.00 70.12 H new ATOM 0 HG1 THR A 27 -5.617 15.422 -4.966 1.00 42.01 H new ATOM 0 HG21 THR A 27 -6.745 15.173 -2.883 1.00 40.42 H new ATOM 0 HG22 THR A 27 -5.920 14.230 -1.619 1.00 40.42 H new ATOM 0 HG23 THR A 27 -5.275 15.814 -2.112 1.00 40.42 H new ATOM 351 N ASP A 28 -3.018 11.554 -2.202 1.00 11.00 N ATOM 352 CA ASP A 28 -3.124 10.404 -1.324 1.00 52.00 C ATOM 353 C ASP A 28 -1.841 9.563 -1.297 1.00 64.00 C ATOM 354 O ASP A 28 -0.917 9.804 -2.073 1.00 13.35 O ATOM 355 CB ASP A 28 -4.357 9.567 -1.672 1.00 24.54 C ATOM 356 CG ASP A 28 -4.377 9.060 -3.082 1.00 31.41 C ATOM 357 OD1 ASP A 28 -4.918 9.761 -3.989 1.00 21.41 O ATOM 358 OD2 ASP A 28 -3.913 7.962 -3.309 1.00 13.32 O ATOM 0 H ASP A 28 -2.429 11.412 -3.023 1.00 11.00 H new ATOM 0 HA ASP A 28 -3.253 10.780 -0.309 1.00 52.00 H new ATOM 0 HB2 ASP A 28 -4.409 8.717 -0.991 1.00 24.54 H new ATOM 0 HB3 ASP A 28 -5.250 10.168 -1.501 1.00 24.54 H new ATOM 363 N SER A 29 -1.792 8.589 -0.391 1.00 54.14 N ATOM 364 CA SER A 29 -0.593 7.779 -0.158 1.00 32.44 C ATOM 365 C SER A 29 -0.505 6.538 -1.065 1.00 44.11 C ATOM 366 O SER A 29 -1.496 6.097 -1.634 1.00 4.43 O ATOM 367 CB SER A 29 -0.552 7.343 1.307 1.00 11.33 C ATOM 368 OG SER A 29 -0.495 8.457 2.178 1.00 1.31 O ATOM 0 H SER A 29 -2.581 8.337 0.204 1.00 54.14 H new ATOM 0 HA SER A 29 0.263 8.407 -0.403 1.00 32.44 H new ATOM 0 HB2 SER A 29 -1.435 6.746 1.535 1.00 11.33 H new ATOM 0 HB3 SER A 29 0.316 6.705 1.474 1.00 11.33 H new ATOM 0 HG SER A 29 -0.788 8.187 3.074 1.00 1.31 H new ATOM 374 N LEU A 30 0.698 5.977 -1.152 1.00 63.24 N ATOM 375 CA LEU A 30 0.982 4.779 -1.946 1.00 41.25 C ATOM 376 C LEU A 30 1.461 3.660 -1.031 1.00 71.12 C ATOM 377 O LEU A 30 2.363 3.859 -0.225 1.00 34.12 O ATOM 378 CB LEU A 30 2.061 5.086 -3.002 1.00 3.31 C ATOM 379 CG LEU A 30 1.651 6.037 -4.130 1.00 15.22 C ATOM 380 CD1 LEU A 30 2.878 6.646 -4.803 1.00 54.53 C ATOM 381 CD2 LEU A 30 0.884 5.244 -5.162 1.00 22.41 C ATOM 0 H LEU A 30 1.516 6.345 -0.667 1.00 63.24 H new ATOM 0 HA LEU A 30 0.070 4.466 -2.454 1.00 41.25 H new ATOM 0 HB2 LEU A 30 2.927 5.510 -2.494 1.00 3.31 H new ATOM 0 HB3 LEU A 30 2.382 4.144 -3.447 1.00 3.31 H new ATOM 0 HG LEU A 30 1.044 6.841 -3.713 1.00 15.22 H new ATOM 0 HD11 LEU A 30 2.560 7.318 -5.600 1.00 54.53 H new ATOM 0 HD12 LEU A 30 3.457 7.205 -4.067 1.00 54.53 H new ATOM 0 HD13 LEU A 30 3.495 5.851 -5.222 1.00 54.53 H new ATOM 0 HD21 LEU A 30 0.582 5.903 -5.976 1.00 22.41 H new ATOM 0 HD22 LEU A 30 1.518 4.449 -5.555 1.00 22.41 H new ATOM 0 HD23 LEU A 30 -0.002 4.807 -4.701 1.00 22.41 H new ATOM 389 N ALA A 31 0.861 2.503 -1.141 1.00 24.31 N ATOM 390 CA ALA A 31 1.236 1.373 -0.311 1.00 4.24 C ATOM 391 C ALA A 31 1.462 0.136 -1.137 1.00 32.22 C ATOM 392 O ALA A 31 0.981 0.035 -2.260 1.00 41.42 O ATOM 393 CB ALA A 31 0.165 1.095 0.718 1.00 35.14 C ATOM 0 H ALA A 31 0.106 2.312 -1.799 1.00 24.31 H new ATOM 0 HA ALA A 31 2.168 1.633 0.191 1.00 4.24 H new ATOM 0 HB1 ALA A 31 0.462 0.245 1.332 1.00 35.14 H new ATOM 0 HB2 ALA A 31 0.033 1.972 1.352 1.00 35.14 H new ATOM 0 HB3 ALA A 31 -0.774 0.868 0.213 1.00 35.14 H new ATOM 399 N HIS A 32 2.236 -0.783 -0.588 1.00 34.11 N ATOM 400 CA HIS A 32 2.487 -2.089 -1.176 1.00 44.22 C ATOM 401 C HIS A 32 3.220 -2.956 -0.180 1.00 3.02 C ATOM 402 O HIS A 32 3.768 -2.449 0.800 1.00 24.10 O ATOM 403 CB HIS A 32 3.259 -2.013 -2.524 1.00 0.24 C ATOM 404 CG HIS A 32 4.604 -1.347 -2.467 1.00 63.34 C ATOM 405 ND1 HIS A 32 5.799 -2.023 -2.649 1.00 3.35 N ATOM 406 CD2 HIS A 32 4.937 -0.044 -2.317 1.00 50.01 C ATOM 407 CE1 HIS A 32 6.788 -1.172 -2.620 1.00 22.24 C ATOM 408 NE2 HIS A 32 6.296 0.037 -2.419 1.00 20.10 N ATOM 0 H HIS A 32 2.719 -0.640 0.299 1.00 34.11 H new ATOM 0 HA HIS A 32 1.520 -2.535 -1.411 1.00 44.22 H new ATOM 0 HB2 HIS A 32 3.391 -3.026 -2.903 1.00 0.24 H new ATOM 0 HB3 HIS A 32 2.640 -1.480 -3.246 1.00 0.24 H new ATOM 0 HD2 HIS A 32 4.256 0.777 -2.148 1.00 50.01 H new ATOM 0 HE1 HIS A 32 7.833 -1.416 -2.740 1.00 22.24 H new ATOM 0 HE2 HIS A 32 6.844 0.895 -2.351 1.00 20.10 H new ATOM 417 N CYS A 33 3.248 -4.228 -0.422 1.00 70.34 N ATOM 418 CA CYS A 33 3.916 -5.142 0.458 1.00 42.30 C ATOM 419 C CYS A 33 5.283 -5.463 -0.107 1.00 10.31 C ATOM 420 O CYS A 33 5.503 -5.330 -1.323 1.00 23.13 O ATOM 421 CB CYS A 33 3.102 -6.432 0.582 1.00 41.22 C ATOM 422 SG CYS A 33 1.404 -6.198 1.135 1.00 34.35 S ATOM 0 H CYS A 33 2.810 -4.665 -1.233 1.00 70.34 H new ATOM 0 HA CYS A 33 4.019 -4.688 1.443 1.00 42.30 H new ATOM 0 HB2 CYS A 33 3.089 -6.932 -0.386 1.00 41.22 H new ATOM 0 HB3 CYS A 33 3.608 -7.100 1.279 1.00 41.22 H new ATOM 0 HG CYS A 33 0.807 -7.351 1.203 1.00 34.35 H new ATOM 428 N ILE A 34 6.198 -5.821 0.772 1.00 33.42 N ATOM 429 CA ILE A 34 7.538 -6.279 0.427 1.00 63.44 C ATOM 430 C ILE A 34 7.991 -7.242 1.502 1.00 74.00 C ATOM 431 O ILE A 34 7.283 -7.440 2.490 1.00 30.23 O ATOM 432 CB ILE A 34 8.605 -5.147 0.293 1.00 52.31 C ATOM 433 CG1 ILE A 34 8.759 -4.356 1.589 1.00 14.03 C ATOM 434 CG2 ILE A 34 8.296 -4.221 -0.876 1.00 30.35 C ATOM 435 CD1 ILE A 34 9.893 -3.363 1.534 1.00 4.24 C ATOM 0 H ILE A 34 6.029 -5.802 1.778 1.00 33.42 H new ATOM 0 HA ILE A 34 7.465 -6.739 -0.558 1.00 63.44 H new ATOM 0 HB ILE A 34 9.559 -5.634 0.090 1.00 52.31 H new ATOM 0 HG12 ILE A 34 7.829 -3.828 1.800 1.00 14.03 H new ATOM 0 HG13 ILE A 34 8.927 -5.048 2.414 1.00 14.03 H new ATOM 0 HG21 ILE A 34 9.060 -3.446 -0.938 1.00 30.35 H new ATOM 0 HG22 ILE A 34 8.286 -4.795 -1.802 1.00 30.35 H new ATOM 0 HG23 ILE A 34 7.321 -3.758 -0.726 1.00 30.35 H new ATOM 0 HD11 ILE A 34 9.956 -2.829 2.482 1.00 4.24 H new ATOM 0 HD12 ILE A 34 10.830 -3.890 1.352 1.00 4.24 H new ATOM 0 HD13 ILE A 34 9.714 -2.651 0.728 1.00 4.24 H new ATOM 442 N SER A 35 9.115 -7.850 1.326 1.00 33.43 N ATOM 443 CA SER A 35 9.622 -8.764 2.305 1.00 0.51 C ATOM 444 C SER A 35 10.621 -8.039 3.249 1.00 34.03 C ATOM 445 O SER A 35 11.131 -6.966 2.920 1.00 2.10 O ATOM 446 CB SER A 35 10.294 -9.936 1.584 1.00 35.21 C ATOM 447 OG SER A 35 11.273 -9.465 0.660 1.00 54.02 O ATOM 0 H SER A 35 9.709 -7.732 0.505 1.00 33.43 H new ATOM 0 HA SER A 35 8.806 -9.145 2.919 1.00 0.51 H new ATOM 0 HB2 SER A 35 10.763 -10.597 2.313 1.00 35.21 H new ATOM 0 HB3 SER A 35 9.543 -10.524 1.057 1.00 35.21 H new ATOM 0 HG SER A 35 11.692 -10.228 0.211 1.00 54.02 H new ATOM 453 N GLU A 36 10.903 -8.652 4.399 1.00 42.31 N ATOM 454 CA GLU A 36 11.835 -8.123 5.429 1.00 21.11 C ATOM 455 C GLU A 36 13.261 -8.122 4.862 1.00 20.10 C ATOM 456 O GLU A 36 14.111 -7.320 5.235 1.00 44.12 O ATOM 457 CB GLU A 36 11.675 -9.036 6.683 1.00 0.51 C ATOM 458 CG GLU A 36 12.436 -8.704 7.980 1.00 64.01 C ATOM 459 CD GLU A 36 13.884 -9.145 8.015 1.00 35.41 C ATOM 460 OE1 GLU A 36 14.133 -10.371 8.075 1.00 55.20 O ATOM 461 OE2 GLU A 36 14.784 -8.294 8.062 1.00 61.14 O ATOM 0 H GLU A 36 10.489 -9.548 4.658 1.00 42.31 H new ATOM 0 HA GLU A 36 11.616 -7.093 5.712 1.00 21.11 H new ATOM 0 HB2 GLU A 36 10.613 -9.066 6.929 1.00 0.51 H new ATOM 0 HB3 GLU A 36 11.962 -10.045 6.388 1.00 0.51 H new ATOM 0 HG2 GLU A 36 12.398 -7.626 8.137 1.00 64.01 H new ATOM 0 HG3 GLU A 36 11.913 -9.167 8.817 1.00 64.01 H new ATOM 468 N ASP A 37 13.450 -8.975 3.886 1.00 12.43 N ATOM 469 CA ASP A 37 14.712 -9.179 3.177 1.00 63.20 C ATOM 470 C ASP A 37 15.047 -7.992 2.264 1.00 44.11 C ATOM 471 O ASP A 37 16.198 -7.831 1.818 1.00 11.22 O ATOM 472 CB ASP A 37 14.596 -10.502 2.422 1.00 1.31 C ATOM 473 CG ASP A 37 15.713 -10.858 1.495 1.00 64.25 C ATOM 474 OD1 ASP A 37 16.885 -10.906 1.927 1.00 52.42 O ATOM 475 OD2 ASP A 37 15.418 -11.178 0.344 1.00 4.32 O ATOM 0 H ASP A 37 12.703 -9.578 3.541 1.00 12.43 H new ATOM 0 HA ASP A 37 15.546 -9.233 3.876 1.00 63.20 H new ATOM 0 HB2 ASP A 37 14.497 -11.302 3.155 1.00 1.31 H new ATOM 0 HB3 ASP A 37 13.671 -10.482 1.845 1.00 1.31 H new ATOM 480 N CYS A 38 14.033 -7.152 2.017 1.00 10.42 N ATOM 481 CA CYS A 38 14.167 -5.885 1.279 1.00 33.41 C ATOM 482 C CYS A 38 14.593 -6.087 -0.176 1.00 23.11 C ATOM 483 O CYS A 38 15.183 -5.190 -0.800 1.00 2.50 O ATOM 484 CB CYS A 38 15.138 -4.949 2.005 1.00 23.14 C ATOM 485 SG CYS A 38 14.718 -4.659 3.746 1.00 71.23 S ATOM 0 H CYS A 38 13.079 -7.335 2.329 1.00 10.42 H new ATOM 0 HA CYS A 38 13.179 -5.426 1.250 1.00 33.41 H new ATOM 0 HB2 CYS A 38 16.142 -5.369 1.949 1.00 23.14 H new ATOM 0 HB3 CYS A 38 15.163 -3.992 1.483 1.00 23.14 H new ATOM 0 HG CYS A 38 14.470 -5.795 4.328 1.00 71.23 H new ATOM 491 N ARG A 39 14.281 -7.233 -0.731 1.00 54.34 N ATOM 492 CA ARG A 39 14.524 -7.442 -2.130 1.00 13.21 C ATOM 493 C ARG A 39 13.363 -6.943 -2.944 1.00 13.21 C ATOM 494 O ARG A 39 12.409 -7.680 -3.205 1.00 52.10 O ATOM 495 CB ARG A 39 14.858 -8.891 -2.480 1.00 11.14 C ATOM 496 CG ARG A 39 16.242 -9.333 -2.063 1.00 43.21 C ATOM 497 CD ARG A 39 16.474 -10.790 -2.423 1.00 13.22 C ATOM 498 NE ARG A 39 17.861 -11.218 -2.186 1.00 24.21 N ATOM 499 CZ ARG A 39 18.218 -12.265 -1.433 1.00 4.33 C ATOM 500 NH1 ARG A 39 17.352 -12.810 -0.601 1.00 4.25 N ATOM 501 NH2 ARG A 39 19.466 -12.698 -1.451 1.00 64.41 N ATOM 0 H ARG A 39 13.864 -8.024 -0.240 1.00 54.34 H new ATOM 0 HA ARG A 39 15.413 -6.863 -2.381 1.00 13.21 H new ATOM 0 HB2 ARG A 39 14.124 -9.544 -2.008 1.00 11.14 H new ATOM 0 HB3 ARG A 39 14.757 -9.024 -3.557 1.00 11.14 H new ATOM 0 HG2 ARG A 39 16.991 -8.709 -2.552 1.00 43.21 H new ATOM 0 HG3 ARG A 39 16.364 -9.195 -0.989 1.00 43.21 H new ATOM 0 HD2 ARG A 39 15.800 -11.416 -1.839 1.00 13.22 H new ATOM 0 HD3 ARG A 39 16.224 -10.945 -3.473 1.00 13.22 H new ATOM 0 HE ARG A 39 18.605 -10.678 -2.628 1.00 24.21 H new ATOM 0 HH11 ARG A 39 16.407 -12.434 -0.530 1.00 4.25 H new ATOM 0 HH12 ARG A 39 17.628 -13.608 -0.029 1.00 4.25 H new ATOM 0 HH21 ARG A 39 20.158 -12.234 -2.039 1.00 64.41 H new ATOM 0 HH22 ARG A 39 19.737 -13.496 -0.877 1.00 64.41 H new ATOM 513 N MET A 40 13.412 -5.672 -3.284 1.00 43.21 N ATOM 514 CA MET A 40 12.399 -5.070 -4.114 1.00 73.45 C ATOM 515 C MET A 40 12.804 -5.084 -5.556 1.00 22.02 C ATOM 516 O MET A 40 12.106 -4.553 -6.382 1.00 51.31 O ATOM 517 CB MET A 40 12.035 -3.620 -3.708 1.00 42.52 C ATOM 518 CG MET A 40 11.297 -3.474 -2.387 1.00 53.31 C ATOM 519 SD MET A 40 12.328 -3.653 -0.933 1.00 41.32 S ATOM 520 CE MET A 40 13.288 -2.150 -1.036 1.00 14.53 C ATOM 0 H MET A 40 14.152 -5.033 -2.993 1.00 43.21 H new ATOM 0 HA MET A 40 11.510 -5.683 -3.964 1.00 73.45 H new ATOM 0 HB2 MET A 40 12.953 -3.034 -3.658 1.00 42.52 H new ATOM 0 HB3 MET A 40 11.422 -3.184 -4.497 1.00 42.52 H new ATOM 0 HG2 MET A 40 10.819 -2.495 -2.359 1.00 53.31 H new ATOM 0 HG3 MET A 40 10.502 -4.218 -2.346 1.00 53.31 H new ATOM 0 HE1 MET A 40 13.712 -1.922 -0.058 1.00 14.53 H new ATOM 0 HE2 MET A 40 14.093 -2.281 -1.759 1.00 14.53 H new ATOM 0 HE3 MET A 40 12.645 -1.329 -1.353 1.00 14.53 H new ATOM 530 N GLY A 41 13.917 -5.713 -5.863 1.00 34.21 N ATOM 531 CA GLY A 41 14.407 -5.747 -7.233 1.00 0.42 C ATOM 532 C GLY A 41 13.624 -6.688 -8.141 1.00 13.30 C ATOM 533 O GLY A 41 14.216 -7.532 -8.827 1.00 45.13 O ATOM 0 H GLY A 41 14.501 -6.208 -5.189 1.00 34.21 H new ATOM 0 HA2 GLY A 41 14.368 -4.740 -7.648 1.00 0.42 H new ATOM 0 HA3 GLY A 41 15.454 -6.050 -7.228 1.00 0.42 H new ATOM 537 N ALA A 42 12.313 -6.539 -8.150 1.00 41.34 N ATOM 538 CA ALA A 42 11.421 -7.332 -8.955 1.00 42.45 C ATOM 539 C ALA A 42 10.063 -6.649 -9.048 1.00 74.25 C ATOM 540 O ALA A 42 9.593 -6.040 -8.068 1.00 74.22 O ATOM 541 CB ALA A 42 11.256 -8.725 -8.353 1.00 3.32 C ATOM 0 H ALA A 42 11.832 -5.843 -7.580 1.00 41.34 H new ATOM 0 HA ALA A 42 11.846 -7.429 -9.954 1.00 42.45 H new ATOM 0 HB1 ALA A 42 10.579 -9.312 -8.974 1.00 3.32 H new ATOM 0 HB2 ALA A 42 12.227 -9.219 -8.308 1.00 3.32 H new ATOM 0 HB3 ALA A 42 10.845 -8.640 -7.347 1.00 3.32 H new ATOM 547 N GLY A 43 9.466 -6.719 -10.228 1.00 34.42 N ATOM 548 CA GLY A 43 8.123 -6.215 -10.459 1.00 25.52 C ATOM 549 C GLY A 43 7.900 -4.761 -10.073 1.00 2.44 C ATOM 550 O GLY A 43 8.744 -3.903 -10.307 1.00 0.04 O ATOM 0 H GLY A 43 9.902 -7.129 -11.054 1.00 34.42 H new ATOM 0 HA2 GLY A 43 7.885 -6.334 -11.516 1.00 25.52 H new ATOM 0 HA3 GLY A 43 7.419 -6.834 -9.902 1.00 25.52 H new ATOM 554 N ILE A 44 6.759 -4.506 -9.471 1.00 13.23 N ATOM 555 CA ILE A 44 6.350 -3.159 -9.090 1.00 30.42 C ATOM 556 C ILE A 44 7.186 -2.595 -7.917 1.00 42.12 C ATOM 557 O ILE A 44 7.330 -1.372 -7.769 1.00 55.05 O ATOM 558 CB ILE A 44 4.831 -3.116 -8.736 1.00 73.21 C ATOM 559 CG1 ILE A 44 4.388 -1.683 -8.420 1.00 33.53 C ATOM 560 CG2 ILE A 44 4.505 -4.058 -7.574 1.00 12.13 C ATOM 561 CD1 ILE A 44 2.938 -1.545 -8.047 1.00 51.32 C ATOM 0 H ILE A 44 6.080 -5.227 -9.228 1.00 13.23 H new ATOM 0 HA ILE A 44 6.533 -2.523 -9.956 1.00 30.42 H new ATOM 0 HB ILE A 44 4.274 -3.461 -9.607 1.00 73.21 H new ATOM 0 HG12 ILE A 44 4.998 -1.300 -7.602 1.00 33.53 H new ATOM 0 HG13 ILE A 44 4.588 -1.055 -9.288 1.00 33.53 H new ATOM 0 HG21 ILE A 44 3.439 -4.006 -7.351 1.00 12.13 H new ATOM 0 HG22 ILE A 44 4.768 -5.079 -7.849 1.00 12.13 H new ATOM 0 HG23 ILE A 44 5.075 -3.761 -6.694 1.00 12.13 H new ATOM 0 HD11 ILE A 44 2.713 -0.499 -7.840 1.00 51.32 H new ATOM 0 HD12 ILE A 44 2.316 -1.894 -8.871 1.00 51.32 H new ATOM 0 HD13 ILE A 44 2.732 -2.142 -7.159 1.00 51.32 H new ATOM 568 N ALA A 45 7.756 -3.470 -7.107 1.00 34.25 N ATOM 569 CA ALA A 45 8.498 -3.032 -5.939 1.00 25.12 C ATOM 570 C ALA A 45 9.773 -2.289 -6.328 1.00 74.31 C ATOM 571 O ALA A 45 10.195 -1.354 -5.627 1.00 24.11 O ATOM 572 CB ALA A 45 8.778 -4.192 -4.989 1.00 55.20 C ATOM 0 H ALA A 45 7.720 -4.481 -7.235 1.00 34.25 H new ATOM 0 HA ALA A 45 7.871 -2.322 -5.400 1.00 25.12 H new ATOM 0 HB1 ALA A 45 9.335 -3.829 -4.125 1.00 55.20 H new ATOM 0 HB2 ALA A 45 7.835 -4.626 -4.656 1.00 55.20 H new ATOM 0 HB3 ALA A 45 9.364 -4.952 -5.506 1.00 55.20 H new ATOM 578 N VAL A 46 10.366 -2.665 -7.464 1.00 51.24 N ATOM 579 CA VAL A 46 11.584 -2.007 -7.915 1.00 65.21 C ATOM 580 C VAL A 46 11.258 -0.623 -8.434 1.00 71.30 C ATOM 581 O VAL A 46 12.037 0.300 -8.273 1.00 1.53 O ATOM 582 CB VAL A 46 12.407 -2.843 -8.966 1.00 14.33 C ATOM 583 CG1 VAL A 46 11.655 -3.046 -10.266 1.00 50.22 C ATOM 584 CG2 VAL A 46 13.780 -2.227 -9.217 1.00 34.44 C ATOM 0 H VAL A 46 10.027 -3.408 -8.075 1.00 51.24 H new ATOM 0 HA VAL A 46 12.239 -1.922 -7.048 1.00 65.21 H new ATOM 0 HB VAL A 46 12.553 -3.830 -8.528 1.00 14.33 H new ATOM 0 HG11 VAL A 46 12.268 -3.628 -10.954 1.00 50.22 H new ATOM 0 HG12 VAL A 46 10.725 -3.579 -10.069 1.00 50.22 H new ATOM 0 HG13 VAL A 46 11.430 -2.077 -10.711 1.00 50.22 H new ATOM 0 HG21 VAL A 46 14.321 -2.829 -9.947 1.00 34.44 H new ATOM 0 HG22 VAL A 46 13.660 -1.214 -9.600 1.00 34.44 H new ATOM 0 HG23 VAL A 46 14.342 -2.198 -8.283 1.00 34.44 H new ATOM 590 N LEU A 47 10.070 -0.484 -9.018 1.00 30.13 N ATOM 591 CA LEU A 47 9.593 0.794 -9.515 1.00 43.20 C ATOM 592 C LEU A 47 9.529 1.813 -8.386 1.00 73.53 C ATOM 593 O LEU A 47 10.053 2.922 -8.513 1.00 43.22 O ATOM 594 CB LEU A 47 8.220 0.633 -10.161 1.00 54.33 C ATOM 595 CG LEU A 47 8.147 -0.155 -11.463 1.00 63.52 C ATOM 596 CD1 LEU A 47 6.695 -0.340 -11.883 1.00 11.51 C ATOM 597 CD2 LEU A 47 8.895 0.594 -12.551 1.00 34.51 C ATOM 0 H LEU A 47 9.416 -1.255 -9.157 1.00 30.13 H new ATOM 0 HA LEU A 47 10.293 1.155 -10.269 1.00 43.20 H new ATOM 0 HB2 LEU A 47 7.562 0.151 -9.438 1.00 54.33 H new ATOM 0 HB3 LEU A 47 7.816 1.628 -10.346 1.00 54.33 H new ATOM 0 HG LEU A 47 8.602 -1.134 -11.311 1.00 63.52 H new ATOM 0 HD11 LEU A 47 6.655 -0.904 -12.815 1.00 11.51 H new ATOM 0 HD12 LEU A 47 6.158 -0.884 -11.106 1.00 11.51 H new ATOM 0 HD13 LEU A 47 6.232 0.636 -12.030 1.00 11.51 H new ATOM 0 HD21 LEU A 47 8.843 0.030 -13.482 1.00 34.51 H new ATOM 0 HD22 LEU A 47 8.442 1.575 -12.695 1.00 34.51 H new ATOM 0 HD23 LEU A 47 9.938 0.715 -12.258 1.00 34.51 H new ATOM 605 N PHE A 48 8.910 1.428 -7.271 1.00 51.44 N ATOM 606 CA PHE A 48 8.852 2.306 -6.108 1.00 32.41 C ATOM 607 C PHE A 48 10.236 2.587 -5.545 1.00 33.24 C ATOM 608 O PHE A 48 10.567 3.719 -5.296 1.00 61.05 O ATOM 609 CB PHE A 48 7.936 1.775 -4.996 1.00 74.35 C ATOM 610 CG PHE A 48 6.447 1.929 -5.220 1.00 34.10 C ATOM 611 CD1 PHE A 48 5.803 3.118 -4.886 1.00 52.30 C ATOM 612 CD2 PHE A 48 5.682 0.888 -5.709 1.00 52.43 C ATOM 613 CE1 PHE A 48 4.458 3.258 -5.036 1.00 12.21 C ATOM 614 CE2 PHE A 48 4.313 1.039 -5.866 1.00 51.24 C ATOM 615 CZ PHE A 48 3.709 2.234 -5.522 1.00 72.35 C ATOM 0 H PHE A 48 8.448 0.527 -7.150 1.00 51.44 H new ATOM 0 HA PHE A 48 8.420 3.239 -6.471 1.00 32.41 H new ATOM 0 HB2 PHE A 48 8.152 0.716 -4.852 1.00 74.35 H new ATOM 0 HB3 PHE A 48 8.196 2.283 -4.067 1.00 74.35 H new ATOM 0 HD1 PHE A 48 6.382 3.944 -4.501 1.00 52.30 H new ATOM 0 HD2 PHE A 48 6.153 -0.048 -5.970 1.00 52.43 H new ATOM 0 HE1 PHE A 48 3.982 4.190 -4.767 1.00 12.21 H new ATOM 0 HE2 PHE A 48 3.720 0.225 -6.256 1.00 51.24 H new ATOM 0 HZ PHE A 48 2.642 2.353 -5.640 1.00 72.35 H new ATOM 625 N LYS A 49 11.044 1.544 -5.372 1.00 11.15 N ATOM 626 CA LYS A 49 12.378 1.684 -4.806 1.00 54.04 C ATOM 627 C LYS A 49 13.273 2.605 -5.663 1.00 71.34 C ATOM 628 O LYS A 49 14.063 3.396 -5.135 1.00 44.44 O ATOM 629 CB LYS A 49 12.995 0.270 -4.596 1.00 70.04 C ATOM 630 CG LYS A 49 14.393 0.232 -3.970 1.00 74.41 C ATOM 631 CD LYS A 49 15.523 0.525 -4.955 1.00 31.12 C ATOM 632 CE LYS A 49 15.681 -0.585 -5.979 1.00 42.15 C ATOM 633 NZ LYS A 49 16.801 -0.331 -6.908 1.00 75.21 N ATOM 0 H LYS A 49 10.793 0.587 -5.619 1.00 11.15 H new ATOM 0 HA LYS A 49 12.306 2.174 -3.835 1.00 54.04 H new ATOM 0 HB2 LYS A 49 12.320 -0.309 -3.965 1.00 70.04 H new ATOM 0 HB3 LYS A 49 13.038 -0.233 -5.562 1.00 70.04 H new ATOM 0 HG2 LYS A 49 14.436 0.957 -3.158 1.00 74.41 H new ATOM 0 HG3 LYS A 49 14.556 -0.751 -3.528 1.00 74.41 H new ATOM 0 HD2 LYS A 49 15.324 1.466 -5.467 1.00 31.12 H new ATOM 0 HD3 LYS A 49 16.458 0.651 -4.409 1.00 31.12 H new ATOM 0 HE2 LYS A 49 15.846 -1.531 -5.464 1.00 42.15 H new ATOM 0 HE3 LYS A 49 14.756 -0.688 -6.547 1.00 42.15 H new ATOM 0 HZ1 LYS A 49 16.872 -1.114 -7.589 1.00 75.21 H new ATOM 0 HZ2 LYS A 49 16.633 0.559 -7.419 1.00 75.21 H new ATOM 0 HZ3 LYS A 49 17.688 -0.259 -6.370 1.00 75.21 H new ATOM 647 N LYS A 50 13.156 2.476 -6.957 1.00 64.25 N ATOM 648 CA LYS A 50 13.896 3.259 -7.888 1.00 70.02 C ATOM 649 C LYS A 50 13.434 4.733 -7.871 1.00 43.24 C ATOM 650 O LYS A 50 14.255 5.644 -7.884 1.00 54.10 O ATOM 651 CB LYS A 50 13.783 2.576 -9.288 1.00 14.50 C ATOM 652 CG LYS A 50 14.471 3.251 -10.471 1.00 50.44 C ATOM 653 CD LYS A 50 13.742 4.495 -10.898 1.00 31.32 C ATOM 654 CE LYS A 50 14.422 5.175 -12.066 1.00 65.15 C ATOM 655 NZ LYS A 50 13.725 6.409 -12.456 1.00 33.04 N ATOM 0 H LYS A 50 12.526 1.805 -7.396 1.00 64.25 H new ATOM 0 HA LYS A 50 14.950 3.298 -7.614 1.00 70.02 H new ATOM 0 HB2 LYS A 50 14.184 1.566 -9.200 1.00 14.50 H new ATOM 0 HB3 LYS A 50 12.724 2.479 -9.528 1.00 14.50 H new ATOM 0 HG2 LYS A 50 15.496 3.504 -10.201 1.00 50.44 H new ATOM 0 HG3 LYS A 50 14.524 2.554 -11.308 1.00 50.44 H new ATOM 0 HD2 LYS A 50 12.718 4.240 -11.172 1.00 31.32 H new ATOM 0 HD3 LYS A 50 13.684 5.188 -10.058 1.00 31.32 H new ATOM 0 HE2 LYS A 50 15.454 5.407 -11.802 1.00 65.15 H new ATOM 0 HE3 LYS A 50 14.456 4.492 -12.915 1.00 65.15 H new ATOM 0 HZ1 LYS A 50 14.219 6.848 -13.259 1.00 33.04 H new ATOM 0 HZ2 LYS A 50 12.748 6.183 -12.732 1.00 33.04 H new ATOM 0 HZ3 LYS A 50 13.714 7.070 -11.653 1.00 33.04 H new ATOM 669 N LYS A 51 12.131 4.961 -7.835 1.00 22.20 N ATOM 670 CA LYS A 51 11.608 6.324 -7.907 1.00 21.02 C ATOM 671 C LYS A 51 11.598 7.009 -6.551 1.00 63.43 C ATOM 672 O LYS A 51 11.654 8.243 -6.463 1.00 25.03 O ATOM 673 CB LYS A 51 10.215 6.351 -8.533 1.00 74.33 C ATOM 674 CG LYS A 51 10.166 5.761 -9.937 1.00 72.31 C ATOM 675 CD LYS A 51 8.784 5.871 -10.553 1.00 22.42 C ATOM 676 CE LYS A 51 8.384 7.326 -10.763 1.00 44.24 C ATOM 677 NZ LYS A 51 7.055 7.455 -11.389 1.00 11.34 N ATOM 0 H LYS A 51 11.421 4.233 -7.757 1.00 22.20 H new ATOM 0 HA LYS A 51 12.286 6.885 -8.550 1.00 21.02 H new ATOM 0 HB2 LYS A 51 9.527 5.800 -7.892 1.00 74.33 H new ATOM 0 HB3 LYS A 51 9.862 7.381 -8.568 1.00 74.33 H new ATOM 0 HG2 LYS A 51 10.888 6.276 -10.572 1.00 72.31 H new ATOM 0 HG3 LYS A 51 10.464 4.713 -9.900 1.00 72.31 H new ATOM 0 HD2 LYS A 51 8.767 5.346 -11.508 1.00 22.42 H new ATOM 0 HD3 LYS A 51 8.056 5.381 -9.907 1.00 22.42 H new ATOM 0 HE2 LYS A 51 8.383 7.843 -9.803 1.00 44.24 H new ATOM 0 HE3 LYS A 51 9.128 7.818 -11.389 1.00 44.24 H new ATOM 0 HZ1 LYS A 51 6.869 8.455 -11.605 1.00 11.34 H new ATOM 0 HZ2 LYS A 51 7.030 6.900 -12.268 1.00 11.34 H new ATOM 0 HZ3 LYS A 51 6.328 7.101 -10.736 1.00 11.34 H new ATOM 691 N PHE A 52 11.545 6.226 -5.520 1.00 73.44 N ATOM 692 CA PHE A 52 11.524 6.691 -4.186 1.00 41.23 C ATOM 693 C PHE A 52 12.534 5.884 -3.445 1.00 73.54 C ATOM 694 O PHE A 52 12.277 4.727 -3.094 1.00 44.31 O ATOM 695 CB PHE A 52 10.144 6.501 -3.522 1.00 5.32 C ATOM 696 CG PHE A 52 8.985 7.136 -4.244 1.00 65.35 C ATOM 697 CD1 PHE A 52 8.791 8.508 -4.209 1.00 61.13 C ATOM 698 CD2 PHE A 52 8.079 6.352 -4.940 1.00 0.32 C ATOM 699 CE1 PHE A 52 7.716 9.086 -4.860 1.00 45.02 C ATOM 700 CE2 PHE A 52 7.005 6.921 -5.592 1.00 73.11 C ATOM 701 CZ PHE A 52 6.821 8.292 -5.552 1.00 11.44 C ATOM 0 H PHE A 52 11.514 5.209 -5.597 1.00 73.44 H new ATOM 0 HA PHE A 52 11.741 7.759 -4.168 1.00 41.23 H new ATOM 0 HB2 PHE A 52 9.950 5.433 -3.428 1.00 5.32 H new ATOM 0 HB3 PHE A 52 10.187 6.908 -2.512 1.00 5.32 H new ATOM 0 HD1 PHE A 52 9.486 9.132 -3.668 1.00 61.13 H new ATOM 0 HD2 PHE A 52 8.216 5.281 -4.972 1.00 0.32 H new ATOM 0 HE1 PHE A 52 7.576 10.156 -4.828 1.00 45.02 H new ATOM 0 HE2 PHE A 52 6.309 6.297 -6.133 1.00 73.11 H new ATOM 0 HZ PHE A 52 5.980 8.740 -6.060 1.00 11.44 H new ATOM 711 N GLY A 53 13.700 6.448 -3.306 1.00 73.33 N ATOM 712 CA GLY A 53 14.800 5.827 -2.575 1.00 24.33 C ATOM 713 C GLY A 53 14.487 5.587 -1.108 1.00 35.34 C ATOM 714 O GLY A 53 14.981 6.286 -0.230 1.00 23.53 O ATOM 0 H GLY A 53 13.930 7.362 -3.696 1.00 73.33 H new ATOM 0 HA2 GLY A 53 15.049 4.876 -3.046 1.00 24.33 H new ATOM 0 HA3 GLY A 53 15.683 6.462 -2.652 1.00 24.33 H new ATOM 718 N GLY A 54 13.618 4.650 -0.876 1.00 55.22 N ATOM 719 CA GLY A 54 13.208 4.257 0.432 1.00 73.31 C ATOM 720 C GLY A 54 14.078 3.203 1.058 1.00 11.03 C ATOM 721 O GLY A 54 14.142 3.106 2.272 1.00 11.42 O ATOM 0 H GLY A 54 13.161 4.122 -1.620 1.00 55.22 H new ATOM 0 HA2 GLY A 54 13.199 5.135 1.077 1.00 73.31 H new ATOM 0 HA3 GLY A 54 12.184 3.886 0.384 1.00 73.31 H new ATOM 725 N VAL A 55 14.743 2.418 0.217 1.00 5.41 N ATOM 726 CA VAL A 55 15.456 1.207 0.643 1.00 73.21 C ATOM 727 C VAL A 55 16.394 1.409 1.849 1.00 25.32 C ATOM 728 O VAL A 55 16.269 0.699 2.833 1.00 22.40 O ATOM 729 CB VAL A 55 16.199 0.517 -0.552 1.00 12.01 C ATOM 730 CG1 VAL A 55 17.229 1.430 -1.200 1.00 34.42 C ATOM 731 CG2 VAL A 55 16.827 -0.810 -0.134 1.00 40.15 C ATOM 0 H VAL A 55 14.806 2.600 -0.785 1.00 5.41 H new ATOM 0 HA VAL A 55 14.675 0.533 0.996 1.00 73.21 H new ATOM 0 HB VAL A 55 15.440 0.306 -1.306 1.00 12.01 H new ATOM 0 HG11 VAL A 55 17.715 0.904 -2.022 1.00 34.42 H new ATOM 0 HG12 VAL A 55 16.734 2.323 -1.582 1.00 34.42 H new ATOM 0 HG13 VAL A 55 17.976 1.718 -0.461 1.00 34.42 H new ATOM 0 HG21 VAL A 55 17.333 -1.258 -0.989 1.00 40.15 H new ATOM 0 HG22 VAL A 55 17.549 -0.636 0.664 1.00 40.15 H new ATOM 0 HG23 VAL A 55 16.049 -1.485 0.222 1.00 40.15 H new ATOM 737 N GLN A 56 17.264 2.390 1.802 1.00 14.41 N ATOM 738 CA GLN A 56 18.203 2.598 2.892 1.00 50.11 C ATOM 739 C GLN A 56 17.482 3.042 4.171 1.00 10.02 C ATOM 740 O GLN A 56 17.873 2.665 5.293 1.00 23.42 O ATOM 741 CB GLN A 56 19.302 3.577 2.488 1.00 60.42 C ATOM 742 CG GLN A 56 20.278 3.881 3.590 1.00 52.25 C ATOM 743 CD GLN A 56 21.018 2.646 4.084 1.00 15.24 C ATOM 744 OE1 GLN A 56 21.251 1.700 3.336 1.00 32.10 O ATOM 745 NE2 GLN A 56 21.379 2.644 5.337 1.00 15.14 N ATOM 0 H GLN A 56 17.346 3.053 1.032 1.00 14.41 H new ATOM 0 HA GLN A 56 18.683 1.644 3.111 1.00 50.11 H new ATOM 0 HB2 GLN A 56 19.846 3.168 1.637 1.00 60.42 H new ATOM 0 HB3 GLN A 56 18.842 4.508 2.155 1.00 60.42 H new ATOM 0 HG2 GLN A 56 21.002 4.614 3.235 1.00 52.25 H new ATOM 0 HG3 GLN A 56 19.745 4.337 4.424 1.00 52.25 H new ATOM 0 HE21 GLN A 56 21.169 3.447 5.930 1.00 15.14 H new ATOM 0 HE22 GLN A 56 21.871 1.839 5.725 1.00 15.14 H new ATOM 753 N GLU A 57 16.444 3.824 4.007 1.00 64.10 N ATOM 754 CA GLU A 57 15.628 4.234 5.127 1.00 54.33 C ATOM 755 C GLU A 57 14.973 3.036 5.781 1.00 74.02 C ATOM 756 O GLU A 57 14.994 2.913 6.997 1.00 2.34 O ATOM 757 CB GLU A 57 14.566 5.268 4.738 1.00 71.23 C ATOM 758 CG GLU A 57 15.105 6.600 4.265 1.00 54.44 C ATOM 759 CD GLU A 57 15.963 7.264 5.301 1.00 42.25 C ATOM 760 OE1 GLU A 57 15.432 7.708 6.341 1.00 40.14 O ATOM 761 OE2 GLU A 57 17.184 7.334 5.110 1.00 75.33 O ATOM 0 H GLU A 57 16.142 4.192 3.105 1.00 64.10 H new ATOM 0 HA GLU A 57 16.299 4.713 5.841 1.00 54.33 H new ATOM 0 HB2 GLU A 57 13.943 4.846 3.950 1.00 71.23 H new ATOM 0 HB3 GLU A 57 13.919 5.441 5.598 1.00 71.23 H new ATOM 0 HG2 GLU A 57 15.686 6.452 3.355 1.00 54.44 H new ATOM 0 HG3 GLU A 57 14.273 7.257 4.009 1.00 54.44 H new ATOM 768 N LEU A 58 14.448 2.140 4.967 1.00 20.41 N ATOM 769 CA LEU A 58 13.739 0.959 5.466 1.00 45.43 C ATOM 770 C LEU A 58 14.675 0.128 6.342 1.00 4.14 C ATOM 771 O LEU A 58 14.304 -0.312 7.442 1.00 73.22 O ATOM 772 CB LEU A 58 13.228 0.105 4.299 1.00 34.44 C ATOM 773 CG LEU A 58 12.321 0.804 3.275 1.00 54.40 C ATOM 774 CD1 LEU A 58 11.928 -0.151 2.169 1.00 52.22 C ATOM 775 CD2 LEU A 58 11.088 1.378 3.937 1.00 72.25 C ATOM 0 H LEU A 58 14.496 2.201 3.950 1.00 20.41 H new ATOM 0 HA LEU A 58 12.885 1.289 6.057 1.00 45.43 H new ATOM 0 HB2 LEU A 58 14.091 -0.298 3.769 1.00 34.44 H new ATOM 0 HB3 LEU A 58 12.683 -0.744 4.712 1.00 34.44 H new ATOM 0 HG LEU A 58 12.886 1.628 2.840 1.00 54.40 H new ATOM 0 HD11 LEU A 58 11.286 0.364 1.455 1.00 52.22 H new ATOM 0 HD12 LEU A 58 12.824 -0.507 1.660 1.00 52.22 H new ATOM 0 HD13 LEU A 58 11.391 -0.999 2.594 1.00 52.22 H new ATOM 0 HD21 LEU A 58 10.466 1.866 3.187 1.00 72.25 H new ATOM 0 HD22 LEU A 58 10.523 0.576 4.411 1.00 72.25 H new ATOM 0 HD23 LEU A 58 11.386 2.106 4.691 1.00 72.25 H new ATOM 783 N LEU A 59 15.901 -0.067 5.860 1.00 24.13 N ATOM 784 CA LEU A 59 16.905 -0.788 6.609 1.00 24.24 C ATOM 785 C LEU A 59 17.260 -0.114 7.926 1.00 1.52 C ATOM 786 O LEU A 59 17.501 -0.800 8.908 1.00 0.11 O ATOM 787 CB LEU A 59 18.176 -1.096 5.786 1.00 21.30 C ATOM 788 CG LEU A 59 18.099 -2.260 4.768 1.00 75.42 C ATOM 789 CD1 LEU A 59 17.083 -2.026 3.677 1.00 72.32 C ATOM 790 CD2 LEU A 59 19.465 -2.553 4.178 1.00 64.43 C ATOM 0 H LEU A 59 16.215 0.269 4.950 1.00 24.13 H new ATOM 0 HA LEU A 59 16.440 -1.744 6.848 1.00 24.24 H new ATOM 0 HB2 LEU A 59 18.454 -0.192 5.244 1.00 21.30 H new ATOM 0 HB3 LEU A 59 18.985 -1.311 6.484 1.00 21.30 H new ATOM 0 HG LEU A 59 17.760 -3.134 5.324 1.00 75.42 H new ATOM 0 HD11 LEU A 59 17.077 -2.877 2.996 1.00 72.32 H new ATOM 0 HD12 LEU A 59 16.094 -1.909 4.120 1.00 72.32 H new ATOM 0 HD13 LEU A 59 17.343 -1.122 3.126 1.00 72.32 H new ATOM 0 HD21 LEU A 59 19.385 -3.374 3.466 1.00 64.43 H new ATOM 0 HD22 LEU A 59 19.839 -1.665 3.668 1.00 64.43 H new ATOM 0 HD23 LEU A 59 20.154 -2.830 4.976 1.00 64.43 H new ATOM 798 N ASN A 60 17.264 1.217 7.977 1.00 15.22 N ATOM 799 CA ASN A 60 17.612 1.867 9.242 1.00 44.44 C ATOM 800 C ASN A 60 16.430 1.859 10.210 1.00 5.42 C ATOM 801 O ASN A 60 16.600 2.047 11.420 1.00 22.40 O ATOM 802 CB ASN A 60 18.225 3.297 9.107 1.00 4.52 C ATOM 803 CG ASN A 60 17.277 4.410 8.704 1.00 62.13 C ATOM 804 OD1 ASN A 60 17.342 4.806 7.473 1.00 41.31 O flip ATOM 805 ND2 ASN A 60 16.562 4.976 9.533 1.00 4.32 N flip ATOM 0 H ASN A 60 17.043 1.841 7.201 1.00 15.22 H new ATOM 0 HA ASN A 60 18.418 1.260 9.654 1.00 44.44 H new ATOM 0 HB2 ASN A 60 18.677 3.565 10.062 1.00 4.52 H new ATOM 0 HB3 ASN A 60 19.030 3.254 8.374 1.00 4.52 H new ATOM 0 HD21 ASN A 60 16.533 4.640 10.496 1.00 4.32 H new ATOM 0 HD22 ASN A 60 16.000 5.781 9.257 1.00 4.32 H new ATOM 811 N GLN A 61 15.240 1.622 9.675 1.00 32.25 N ATOM 812 CA GLN A 61 14.038 1.536 10.481 1.00 33.52 C ATOM 813 C GLN A 61 13.971 0.191 11.179 1.00 44.02 C ATOM 814 O GLN A 61 13.582 0.110 12.346 1.00 42.12 O ATOM 815 CB GLN A 61 12.794 1.717 9.612 1.00 74.42 C ATOM 816 CG GLN A 61 12.717 3.055 8.918 1.00 12.54 C ATOM 817 CD GLN A 61 11.533 3.162 7.997 1.00 54.23 C ATOM 818 OE1 GLN A 61 11.605 2.839 6.831 1.00 54.01 O ATOM 819 NE2 GLN A 61 10.444 3.619 8.511 1.00 13.04 N ATOM 0 H GLN A 61 15.085 1.485 8.676 1.00 32.25 H new ATOM 0 HA GLN A 61 14.071 2.331 11.226 1.00 33.52 H new ATOM 0 HB2 GLN A 61 12.771 0.928 8.860 1.00 74.42 H new ATOM 0 HB3 GLN A 61 11.908 1.591 10.234 1.00 74.42 H new ATOM 0 HG2 GLN A 61 12.663 3.846 9.666 1.00 12.54 H new ATOM 0 HG3 GLN A 61 13.632 3.218 8.348 1.00 12.54 H new ATOM 0 HE21 GLN A 61 10.416 3.882 9.496 1.00 13.04 H new ATOM 0 HE22 GLN A 61 9.609 3.718 7.933 1.00 13.04 H new ATOM 827 N GLN A 62 14.360 -0.862 10.447 1.00 4.31 N ATOM 828 CA GLN A 62 14.331 -2.245 10.945 1.00 61.31 C ATOM 829 C GLN A 62 12.935 -2.709 11.246 1.00 31.32 C ATOM 830 O GLN A 62 12.433 -2.576 12.364 1.00 12.14 O ATOM 831 CB GLN A 62 15.265 -2.475 12.131 1.00 23.10 C ATOM 832 CG GLN A 62 16.725 -2.425 11.768 1.00 60.43 C ATOM 833 CD GLN A 62 17.162 -3.611 10.929 1.00 52.14 C ATOM 834 OE1 GLN A 62 17.569 -4.642 11.462 1.00 11.30 O ATOM 835 NE2 GLN A 62 17.139 -3.467 9.636 1.00 70.12 N ATOM 0 H GLN A 62 14.705 -0.779 9.491 1.00 4.31 H new ATOM 0 HA GLN A 62 14.712 -2.860 10.129 1.00 61.31 H new ATOM 0 HB2 GLN A 62 15.063 -1.722 12.893 1.00 23.10 H new ATOM 0 HB3 GLN A 62 15.043 -3.445 12.575 1.00 23.10 H new ATOM 0 HG2 GLN A 62 16.928 -1.504 11.221 1.00 60.43 H new ATOM 0 HG3 GLN A 62 17.321 -2.392 12.680 1.00 60.43 H new ATOM 0 HE21 GLN A 62 16.795 -2.599 9.226 1.00 70.12 H new ATOM 0 HE22 GLN A 62 17.465 -4.222 9.033 1.00 70.12 H new ATOM 843 N LYS A 63 12.307 -3.199 10.239 1.00 20.20 N ATOM 844 CA LYS A 63 10.974 -3.709 10.322 1.00 11.32 C ATOM 845 C LYS A 63 10.925 -5.169 9.943 1.00 52.34 C ATOM 846 O LYS A 63 11.497 -5.581 8.930 1.00 15.42 O ATOM 847 CB LYS A 63 10.010 -2.887 9.462 1.00 23.10 C ATOM 848 CG LYS A 63 9.785 -1.467 9.959 1.00 62.45 C ATOM 849 CD LYS A 63 9.328 -1.517 11.394 1.00 23.51 C ATOM 850 CE LYS A 63 8.766 -0.196 11.885 1.00 13.24 C ATOM 851 NZ LYS A 63 8.310 -0.301 13.292 1.00 23.12 N ATOM 0 H LYS A 63 12.712 -3.261 9.305 1.00 20.20 H new ATOM 0 HA LYS A 63 10.652 -3.621 11.360 1.00 11.32 H new ATOM 0 HB2 LYS A 63 10.395 -2.846 8.443 1.00 23.10 H new ATOM 0 HB3 LYS A 63 9.050 -3.401 9.420 1.00 23.10 H new ATOM 0 HG2 LYS A 63 10.705 -0.889 9.877 1.00 62.45 H new ATOM 0 HG3 LYS A 63 9.038 -0.966 9.343 1.00 62.45 H new ATOM 0 HD2 LYS A 63 8.568 -2.291 11.500 1.00 23.51 H new ATOM 0 HD3 LYS A 63 10.167 -1.806 12.027 1.00 23.51 H new ATOM 0 HE2 LYS A 63 9.527 0.580 11.803 1.00 13.24 H new ATOM 0 HE3 LYS A 63 7.933 0.107 11.251 1.00 13.24 H new ATOM 0 HZ1 LYS A 63 7.395 0.182 13.397 1.00 23.12 H new ATOM 0 HZ2 LYS A 63 8.204 -1.303 13.549 1.00 23.12 H new ATOM 0 HZ3 LYS A 63 9.011 0.144 13.918 1.00 23.12 H new ATOM 865 N LYS A 64 10.253 -5.937 10.758 1.00 55.51 N ATOM 866 CA LYS A 64 10.112 -7.354 10.564 1.00 63.45 C ATOM 867 C LYS A 64 8.688 -7.707 10.200 1.00 65.13 C ATOM 868 O LYS A 64 7.812 -6.846 10.228 1.00 25.52 O ATOM 869 CB LYS A 64 10.589 -8.138 11.780 1.00 55.12 C ATOM 870 CG LYS A 64 12.076 -7.990 12.044 1.00 1.31 C ATOM 871 CD LYS A 64 12.519 -8.837 13.212 1.00 40.20 C ATOM 872 CE LYS A 64 14.013 -8.724 13.433 1.00 74.51 C ATOM 873 NZ LYS A 64 14.478 -9.563 14.560 1.00 61.40 N ATOM 0 H LYS A 64 9.779 -5.588 11.591 1.00 55.51 H new ATOM 0 HA LYS A 64 10.752 -7.641 9.729 1.00 63.45 H new ATOM 0 HB2 LYS A 64 10.036 -7.805 12.658 1.00 55.12 H new ATOM 0 HB3 LYS A 64 10.356 -9.193 11.638 1.00 55.12 H new ATOM 0 HG2 LYS A 64 12.635 -8.277 11.153 1.00 1.31 H new ATOM 0 HG3 LYS A 64 12.309 -6.944 12.243 1.00 1.31 H new ATOM 0 HD2 LYS A 64 11.991 -8.525 14.113 1.00 40.20 H new ATOM 0 HD3 LYS A 64 12.253 -9.878 13.031 1.00 40.20 H new ATOM 0 HE2 LYS A 64 14.536 -9.019 12.523 1.00 74.51 H new ATOM 0 HE3 LYS A 64 14.272 -7.683 13.627 1.00 74.51 H new ATOM 0 HZ1 LYS A 64 15.506 -9.453 14.673 1.00 61.40 H new ATOM 0 HZ2 LYS A 64 14.000 -9.266 15.434 1.00 61.40 H new ATOM 0 HZ3 LYS A 64 14.256 -10.560 14.365 1.00 61.40 H new ATOM 887 N SER A 65 8.477 -8.960 9.820 1.00 31.02 N ATOM 888 CA SER A 65 7.182 -9.448 9.362 1.00 41.42 C ATOM 889 C SER A 65 6.028 -9.057 10.298 1.00 14.11 C ATOM 890 O SER A 65 6.076 -9.308 11.516 1.00 34.44 O ATOM 891 CB SER A 65 7.253 -10.962 9.173 1.00 3.34 C ATOM 892 OG SER A 65 7.711 -11.613 10.353 1.00 4.35 O ATOM 0 H SER A 65 9.206 -9.673 9.821 1.00 31.02 H new ATOM 0 HA SER A 65 6.963 -8.968 8.408 1.00 41.42 H new ATOM 0 HB2 SER A 65 6.268 -11.343 8.905 1.00 3.34 H new ATOM 0 HB3 SER A 65 7.921 -11.196 8.344 1.00 3.34 H new ATOM 0 HG SER A 65 7.250 -11.239 11.133 1.00 4.35 H new ATOM 898 N GLY A 66 5.010 -8.442 9.723 1.00 23.30 N ATOM 899 CA GLY A 66 3.870 -8.006 10.484 1.00 1.04 C ATOM 900 C GLY A 66 3.958 -6.541 10.869 1.00 43.02 C ATOM 901 O GLY A 66 3.117 -6.038 11.613 1.00 70.12 O ATOM 0 H GLY A 66 4.957 -8.236 8.725 1.00 23.30 H new ATOM 0 HA2 GLY A 66 2.963 -8.172 9.903 1.00 1.04 H new ATOM 0 HA3 GLY A 66 3.786 -8.612 11.386 1.00 1.04 H new ATOM 905 N GLU A 67 4.975 -5.861 10.375 1.00 61.12 N ATOM 906 CA GLU A 67 5.150 -4.438 10.635 1.00 42.01 C ATOM 907 C GLU A 67 5.054 -3.656 9.344 1.00 21.34 C ATOM 908 O GLU A 67 5.022 -4.236 8.251 1.00 2.03 O ATOM 909 CB GLU A 67 6.499 -4.137 11.296 1.00 24.32 C ATOM 910 CG GLU A 67 6.712 -4.775 12.648 1.00 54.35 C ATOM 911 CD GLU A 67 8.028 -4.370 13.252 1.00 30.50 C ATOM 912 OE1 GLU A 67 8.077 -3.328 13.943 1.00 14.20 O ATOM 913 OE2 GLU A 67 9.032 -5.084 13.059 1.00 44.50 O ATOM 0 H GLU A 67 5.700 -6.272 9.786 1.00 61.12 H new ATOM 0 HA GLU A 67 4.356 -4.138 11.319 1.00 42.01 H new ATOM 0 HB2 GLU A 67 7.294 -4.467 10.628 1.00 24.32 H new ATOM 0 HB3 GLU A 67 6.600 -3.057 11.402 1.00 24.32 H new ATOM 0 HG2 GLU A 67 5.901 -4.489 13.317 1.00 54.35 H new ATOM 0 HG3 GLU A 67 6.676 -5.860 12.548 1.00 54.35 H new ATOM 920 N VAL A 68 5.019 -2.351 9.458 1.00 43.52 N ATOM 921 CA VAL A 68 4.936 -1.508 8.304 1.00 32.21 C ATOM 922 C VAL A 68 6.028 -0.454 8.360 1.00 45.14 C ATOM 923 O VAL A 68 6.333 0.100 9.423 1.00 43.14 O ATOM 924 CB VAL A 68 3.531 -0.821 8.173 1.00 61.33 C ATOM 925 CG1 VAL A 68 3.245 0.103 9.349 1.00 20.13 C ATOM 926 CG2 VAL A 68 3.404 -0.063 6.859 1.00 34.14 C ATOM 0 H VAL A 68 5.047 -1.852 10.347 1.00 43.52 H new ATOM 0 HA VAL A 68 5.073 -2.137 7.424 1.00 32.21 H new ATOM 0 HB VAL A 68 2.786 -1.617 8.182 1.00 61.33 H new ATOM 0 HG11 VAL A 68 2.264 0.560 9.222 1.00 20.13 H new ATOM 0 HG12 VAL A 68 3.261 -0.471 10.275 1.00 20.13 H new ATOM 0 HG13 VAL A 68 4.005 0.883 9.392 1.00 20.13 H new ATOM 0 HG21 VAL A 68 2.419 0.401 6.800 1.00 34.14 H new ATOM 0 HG22 VAL A 68 4.172 0.709 6.808 1.00 34.14 H new ATOM 0 HG23 VAL A 68 3.529 -0.755 6.026 1.00 34.14 H new ATOM 932 N ALA A 69 6.640 -0.219 7.256 1.00 3.55 N ATOM 933 CA ALA A 69 7.596 0.822 7.148 1.00 51.32 C ATOM 934 C ALA A 69 6.974 1.916 6.322 1.00 53.13 C ATOM 935 O ALA A 69 6.553 1.676 5.201 1.00 75.43 O ATOM 936 CB ALA A 69 8.879 0.309 6.516 1.00 64.51 C ATOM 0 H ALA A 69 6.491 -0.747 6.396 1.00 3.55 H new ATOM 0 HA ALA A 69 7.866 1.205 8.132 1.00 51.32 H new ATOM 0 HB1 ALA A 69 9.599 1.124 6.442 1.00 64.51 H new ATOM 0 HB2 ALA A 69 9.295 -0.488 7.132 1.00 64.51 H new ATOM 0 HB3 ALA A 69 8.665 -0.077 5.519 1.00 64.51 H new ATOM 942 N VAL A 70 6.875 3.090 6.871 1.00 74.34 N ATOM 943 CA VAL A 70 6.263 4.181 6.157 1.00 75.43 C ATOM 944 C VAL A 70 7.281 5.262 6.021 1.00 54.53 C ATOM 945 O VAL A 70 8.083 5.488 6.942 1.00 23.34 O ATOM 946 CB VAL A 70 5.037 4.779 6.916 1.00 74.12 C ATOM 947 CG1 VAL A 70 4.250 5.753 6.051 1.00 51.30 C ATOM 948 CG2 VAL A 70 4.148 3.713 7.533 1.00 53.13 C ATOM 0 H VAL A 70 7.207 3.321 7.807 1.00 74.34 H new ATOM 0 HA VAL A 70 5.915 3.803 5.196 1.00 75.43 H new ATOM 0 HB VAL A 70 5.445 5.351 7.750 1.00 74.12 H new ATOM 0 HG11 VAL A 70 3.406 6.144 6.619 1.00 51.30 H new ATOM 0 HG12 VAL A 70 4.897 6.576 5.749 1.00 51.30 H new ATOM 0 HG13 VAL A 70 3.882 5.237 5.164 1.00 51.30 H new ATOM 0 HG21 VAL A 70 3.313 4.189 8.047 1.00 53.13 H new ATOM 0 HG22 VAL A 70 3.767 3.059 6.749 1.00 53.13 H new ATOM 0 HG23 VAL A 70 4.726 3.125 8.246 1.00 53.13 H new ATOM 954 N LEU A 71 7.278 5.901 4.904 1.00 14.43 N ATOM 955 CA LEU A 71 8.188 6.965 4.638 1.00 74.40 C ATOM 956 C LEU A 71 7.399 8.181 4.256 1.00 34.41 C ATOM 957 O LEU A 71 6.400 8.064 3.540 1.00 4.23 O ATOM 958 CB LEU A 71 9.078 6.589 3.457 1.00 15.14 C ATOM 959 CG LEU A 71 9.860 5.286 3.575 1.00 24.12 C ATOM 960 CD1 LEU A 71 10.604 5.025 2.301 1.00 33.33 C ATOM 961 CD2 LEU A 71 10.826 5.335 4.738 1.00 44.02 C ATOM 0 H LEU A 71 6.636 5.699 4.138 1.00 14.43 H new ATOM 0 HA LEU A 71 8.798 7.156 5.521 1.00 74.40 H new ATOM 0 HB2 LEU A 71 8.453 6.531 2.566 1.00 15.14 H new ATOM 0 HB3 LEU A 71 9.789 7.399 3.296 1.00 15.14 H new ATOM 0 HG LEU A 71 9.153 4.476 3.755 1.00 24.12 H new ATOM 0 HD11 LEU A 71 11.162 4.093 2.390 1.00 33.33 H new ATOM 0 HD12 LEU A 71 9.896 4.947 1.476 1.00 33.33 H new ATOM 0 HD13 LEU A 71 11.296 5.845 2.109 1.00 33.33 H new ATOM 0 HD21 LEU A 71 11.370 4.393 4.799 1.00 44.02 H new ATOM 0 HD22 LEU A 71 11.531 6.153 4.591 1.00 44.02 H new ATOM 0 HD23 LEU A 71 10.273 5.495 5.664 1.00 44.02 H new ATOM 969 N LYS A 72 7.800 9.331 4.738 1.00 14.05 N ATOM 970 CA LYS A 72 7.184 10.543 4.291 1.00 51.41 C ATOM 971 C LYS A 72 7.992 11.043 3.138 1.00 3.41 C ATOM 972 O LYS A 72 9.155 11.427 3.303 1.00 42.35 O ATOM 973 CB LYS A 72 7.165 11.610 5.378 1.00 61.10 C ATOM 974 CG LYS A 72 6.523 12.923 4.921 1.00 20.31 C ATOM 975 CD LYS A 72 6.606 14.066 5.953 1.00 24.22 C ATOM 976 CE LYS A 72 5.762 13.856 7.220 1.00 75.44 C ATOM 977 NZ LYS A 72 6.243 12.764 8.112 1.00 71.34 N ATOM 0 H LYS A 72 8.540 9.448 5.430 1.00 14.05 H new ATOM 0 HA LYS A 72 6.149 10.340 4.017 1.00 51.41 H new ATOM 0 HB2 LYS A 72 6.622 11.229 6.243 1.00 61.10 H new ATOM 0 HB3 LYS A 72 8.186 11.806 5.704 1.00 61.10 H new ATOM 0 HG2 LYS A 72 7.005 13.247 3.999 1.00 20.31 H new ATOM 0 HG3 LYS A 72 5.475 12.738 4.685 1.00 20.31 H new ATOM 0 HD2 LYS A 72 7.648 14.197 6.246 1.00 24.22 H new ATOM 0 HD3 LYS A 72 6.291 14.993 5.473 1.00 24.22 H new ATOM 0 HE2 LYS A 72 5.742 14.787 7.786 1.00 75.44 H new ATOM 0 HE3 LYS A 72 4.735 13.640 6.925 1.00 75.44 H new ATOM 0 HZ1 LYS A 72 5.557 11.983 8.106 1.00 71.34 H new ATOM 0 HZ2 LYS A 72 7.164 12.419 7.773 1.00 71.34 H new ATOM 0 HZ3 LYS A 72 6.345 13.127 9.081 1.00 71.34 H new ATOM 991 N ARG A 73 7.423 11.021 1.991 1.00 12.52 N ATOM 992 CA ARG A 73 8.132 11.455 0.829 1.00 40.32 C ATOM 993 C ARG A 73 7.210 12.270 -0.057 1.00 65.24 C ATOM 994 O ARG A 73 6.098 11.829 -0.364 1.00 63.42 O ATOM 995 CB ARG A 73 8.684 10.264 0.041 1.00 3.44 C ATOM 996 CG ARG A 73 9.755 10.637 -0.987 1.00 32.40 C ATOM 997 CD ARG A 73 11.168 10.763 -0.362 1.00 11.51 C ATOM 998 NE ARG A 73 11.280 11.708 0.777 1.00 63.54 N ATOM 999 CZ ARG A 73 12.309 11.713 1.657 1.00 70.15 C ATOM 1000 NH1 ARG A 73 13.330 10.882 1.492 1.00 51.43 N ATOM 1001 NH2 ARG A 73 12.310 12.553 2.688 1.00 0.32 N ATOM 0 H ARG A 73 6.467 10.708 1.823 1.00 12.52 H new ATOM 0 HA ARG A 73 8.972 12.070 1.152 1.00 40.32 H new ATOM 0 HB2 ARG A 73 9.104 9.542 0.741 1.00 3.44 H new ATOM 0 HB3 ARG A 73 7.860 9.768 -0.472 1.00 3.44 H new ATOM 0 HG2 ARG A 73 9.776 9.882 -1.773 1.00 32.40 H new ATOM 0 HG3 ARG A 73 9.486 11.582 -1.459 1.00 32.40 H new ATOM 0 HD2 ARG A 73 11.487 9.776 -0.026 1.00 11.51 H new ATOM 0 HD3 ARG A 73 11.864 11.075 -1.140 1.00 11.51 H new ATOM 0 HE ARG A 73 10.537 12.395 0.905 1.00 63.54 H new ATOM 0 HH11 ARG A 73 13.341 10.238 0.701 1.00 51.43 H new ATOM 0 HH12 ARG A 73 14.104 10.887 2.156 1.00 51.43 H new ATOM 0 HH21 ARG A 73 11.532 13.199 2.820 1.00 0.32 H new ATOM 0 HH22 ARG A 73 13.089 12.551 3.347 1.00 0.32 H new ATOM 1013 N ASP A 74 7.656 13.458 -0.435 1.00 42.53 N ATOM 1014 CA ASP A 74 6.935 14.339 -1.382 1.00 41.21 C ATOM 1015 C ASP A 74 5.549 14.747 -0.824 1.00 63.55 C ATOM 1016 O ASP A 74 4.605 15.039 -1.559 1.00 50.31 O ATOM 1017 CB ASP A 74 6.842 13.628 -2.764 1.00 74.14 C ATOM 1018 CG ASP A 74 6.271 14.486 -3.869 1.00 4.02 C ATOM 1019 OD1 ASP A 74 6.939 15.466 -4.284 1.00 72.44 O ATOM 1020 OD2 ASP A 74 5.181 14.167 -4.374 1.00 41.12 O ATOM 0 H ASP A 74 8.534 13.854 -0.099 1.00 42.53 H new ATOM 0 HA ASP A 74 7.487 15.269 -1.514 1.00 41.21 H new ATOM 0 HB2 ASP A 74 7.838 13.296 -3.056 1.00 74.14 H new ATOM 0 HB3 ASP A 74 6.226 12.735 -2.659 1.00 74.14 H new ATOM 1025 N GLY A 75 5.467 14.820 0.494 1.00 3.54 N ATOM 1026 CA GLY A 75 4.242 15.227 1.160 1.00 22.32 C ATOM 1027 C GLY A 75 3.279 14.082 1.390 1.00 45.44 C ATOM 1028 O GLY A 75 2.277 14.233 2.086 1.00 70.22 O ATOM 0 H GLY A 75 6.238 14.602 1.126 1.00 3.54 H new ATOM 0 HA2 GLY A 75 4.491 15.682 2.119 1.00 22.32 H new ATOM 0 HA3 GLY A 75 3.749 15.994 0.562 1.00 22.32 H new ATOM 1032 N ARG A 76 3.569 12.955 0.795 1.00 52.32 N ATOM 1033 CA ARG A 76 2.766 11.783 0.912 1.00 61.24 C ATOM 1034 C ARG A 76 3.458 10.720 1.728 1.00 3.32 C ATOM 1035 O ARG A 76 4.639 10.849 2.075 1.00 43.11 O ATOM 1036 CB ARG A 76 2.505 11.271 -0.471 1.00 20.23 C ATOM 1037 CG ARG A 76 1.689 12.219 -1.287 1.00 32.04 C ATOM 1038 CD ARG A 76 1.579 11.755 -2.703 1.00 55.42 C ATOM 1039 NE ARG A 76 2.783 12.044 -3.493 1.00 62.55 N ATOM 1040 CZ ARG A 76 3.026 11.562 -4.712 1.00 32.32 C ATOM 1041 NH1 ARG A 76 2.178 10.697 -5.276 1.00 31.20 N ATOM 1042 NH2 ARG A 76 4.095 11.969 -5.376 1.00 2.34 N ATOM 0 H ARG A 76 4.391 12.831 0.204 1.00 52.32 H new ATOM 0 HA ARG A 76 1.835 12.030 1.422 1.00 61.24 H new ATOM 0 HB2 ARG A 76 3.455 11.089 -0.973 1.00 20.23 H new ATOM 0 HB3 ARG A 76 1.989 10.313 -0.409 1.00 20.23 H new ATOM 0 HG2 ARG A 76 0.693 12.312 -0.854 1.00 32.04 H new ATOM 0 HG3 ARG A 76 2.143 13.210 -1.260 1.00 32.04 H new ATOM 0 HD2 ARG A 76 1.392 10.681 -2.715 1.00 55.42 H new ATOM 0 HD3 ARG A 76 0.719 12.234 -3.172 1.00 55.42 H new ATOM 0 HE ARG A 76 3.484 12.658 -3.079 1.00 62.55 H new ATOM 0 HH11 ARG A 76 1.340 10.403 -4.774 1.00 31.20 H new ATOM 0 HH12 ARG A 76 2.368 10.331 -6.209 1.00 31.20 H new ATOM 0 HH21 ARG A 76 4.729 12.648 -4.955 1.00 2.34 H new ATOM 0 HH22 ARG A 76 4.286 11.603 -6.309 1.00 2.34 H new ATOM 1054 N TYR A 77 2.729 9.686 2.042 1.00 10.20 N ATOM 1055 CA TYR A 77 3.266 8.566 2.740 1.00 23.43 C ATOM 1056 C TYR A 77 3.383 7.381 1.846 1.00 33.22 C ATOM 1057 O TYR A 77 2.553 7.172 0.952 1.00 75.20 O ATOM 1058 CB TYR A 77 2.472 8.230 3.991 1.00 40.44 C ATOM 1059 CG TYR A 77 2.716 9.191 5.108 1.00 21.21 C ATOM 1060 CD1 TYR A 77 3.942 9.203 5.729 1.00 60.24 C ATOM 1061 CD2 TYR A 77 1.746 10.079 5.545 1.00 2.42 C ATOM 1062 CE1 TYR A 77 4.217 10.048 6.745 1.00 73.32 C ATOM 1063 CE2 TYR A 77 2.013 10.952 6.585 1.00 33.22 C ATOM 1064 CZ TYR A 77 3.259 10.927 7.181 1.00 11.32 C ATOM 1065 OH TYR A 77 3.546 11.781 8.219 1.00 23.31 O ATOM 0 H TYR A 77 1.738 9.602 1.816 1.00 10.20 H new ATOM 0 HA TYR A 77 4.267 8.848 3.066 1.00 23.43 H new ATOM 0 HB2 TYR A 77 1.409 8.223 3.750 1.00 40.44 H new ATOM 0 HB3 TYR A 77 2.731 7.224 4.321 1.00 40.44 H new ATOM 0 HD1 TYR A 77 4.707 8.517 5.395 1.00 60.24 H new ATOM 0 HD2 TYR A 77 0.776 10.090 5.071 1.00 2.42 H new ATOM 0 HE1 TYR A 77 5.190 10.032 7.214 1.00 73.32 H new ATOM 0 HE2 TYR A 77 1.257 11.644 6.926 1.00 33.22 H new ATOM 0 HH TYR A 77 2.764 12.340 8.408 1.00 23.31 H new ATOM 1075 N ILE A 78 4.400 6.612 2.065 1.00 42.12 N ATOM 1076 CA ILE A 78 4.635 5.455 1.262 1.00 1.00 C ATOM 1077 C ILE A 78 4.713 4.287 2.215 1.00 5.42 C ATOM 1078 O ILE A 78 5.580 4.258 3.093 1.00 23.33 O ATOM 1079 CB ILE A 78 5.969 5.577 0.440 1.00 61.44 C ATOM 1080 CG1 ILE A 78 6.036 6.919 -0.353 1.00 1.03 C ATOM 1081 CG2 ILE A 78 6.112 4.399 -0.524 1.00 42.11 C ATOM 1082 CD1 ILE A 78 4.937 7.117 -1.393 1.00 34.14 C ATOM 0 H ILE A 78 5.088 6.766 2.802 1.00 42.12 H new ATOM 0 HA ILE A 78 3.835 5.331 0.533 1.00 1.00 H new ATOM 0 HB ILE A 78 6.794 5.563 1.153 1.00 61.44 H new ATOM 0 HG12 ILE A 78 5.994 7.744 0.358 1.00 1.03 H new ATOM 0 HG13 ILE A 78 7.002 6.978 -0.854 1.00 1.03 H new ATOM 0 HG21 ILE A 78 7.041 4.499 -1.085 1.00 42.11 H new ATOM 0 HG22 ILE A 78 6.128 3.467 0.041 1.00 42.11 H new ATOM 0 HG23 ILE A 78 5.269 4.390 -1.215 1.00 42.11 H new ATOM 0 HD11 ILE A 78 5.073 8.079 -1.888 1.00 34.14 H new ATOM 0 HD12 ILE A 78 4.988 6.318 -2.133 1.00 34.14 H new ATOM 0 HD13 ILE A 78 3.964 7.096 -0.902 1.00 34.14 H new ATOM 1089 N TYR A 79 3.802 3.360 2.078 1.00 34.24 N ATOM 1090 CA TYR A 79 3.708 2.243 2.993 1.00 53.12 C ATOM 1091 C TYR A 79 4.354 0.993 2.423 1.00 72.52 C ATOM 1092 O TYR A 79 4.093 0.600 1.270 1.00 41.54 O ATOM 1093 CB TYR A 79 2.245 1.923 3.331 1.00 3.10 C ATOM 1094 CG TYR A 79 1.453 3.009 4.043 1.00 74.35 C ATOM 1095 CD1 TYR A 79 0.794 4.011 3.336 1.00 61.11 C ATOM 1096 CD2 TYR A 79 1.333 3.001 5.423 1.00 20.05 C ATOM 1097 CE1 TYR A 79 0.041 4.972 3.995 1.00 1.32 C ATOM 1098 CE2 TYR A 79 0.591 3.956 6.083 1.00 73.01 C ATOM 1099 CZ TYR A 79 -0.053 4.936 5.367 1.00 2.13 C ATOM 1100 OH TYR A 79 -0.804 5.883 6.035 1.00 5.21 O ATOM 0 H TYR A 79 3.105 3.354 1.334 1.00 34.24 H new ATOM 0 HA TYR A 79 4.239 2.541 3.897 1.00 53.12 H new ATOM 0 HB2 TYR A 79 1.728 1.678 2.403 1.00 3.10 H new ATOM 0 HB3 TYR A 79 2.228 1.027 3.952 1.00 3.10 H new ATOM 0 HD1 TYR A 79 0.870 4.041 2.259 1.00 61.11 H new ATOM 0 HD2 TYR A 79 1.831 2.231 5.993 1.00 20.05 H new ATOM 0 HE1 TYR A 79 -0.468 5.743 3.435 1.00 1.32 H new ATOM 0 HE2 TYR A 79 0.516 3.934 7.160 1.00 73.01 H new ATOM 0 HH TYR A 79 -1.703 5.530 6.202 1.00 5.21 H new ATOM 1110 N TYR A 80 5.193 0.394 3.216 1.00 4.14 N ATOM 1111 CA TYR A 80 5.808 -0.868 2.911 1.00 11.53 C ATOM 1112 C TYR A 80 5.400 -1.885 3.960 1.00 73.30 C ATOM 1113 O TYR A 80 5.863 -1.823 5.102 1.00 70.52 O ATOM 1114 CB TYR A 80 7.339 -0.748 2.879 1.00 14.45 C ATOM 1115 CG TYR A 80 7.884 0.112 1.768 1.00 54.02 C ATOM 1116 CD1 TYR A 80 8.024 1.485 1.913 1.00 64.44 C ATOM 1117 CD2 TYR A 80 8.255 -0.456 0.570 1.00 23.11 C ATOM 1118 CE1 TYR A 80 8.522 2.255 0.883 1.00 3.54 C ATOM 1119 CE2 TYR A 80 8.747 0.295 -0.455 1.00 74.23 C ATOM 1120 CZ TYR A 80 8.882 1.651 -0.300 1.00 0.55 C ATOM 1121 OH TYR A 80 9.366 2.400 -1.340 1.00 64.15 O ATOM 0 H TYR A 80 5.477 0.778 4.117 1.00 4.14 H new ATOM 0 HA TYR A 80 5.473 -1.188 1.924 1.00 11.53 H new ATOM 0 HB2 TYR A 80 7.677 -0.342 3.832 1.00 14.45 H new ATOM 0 HB3 TYR A 80 7.766 -1.747 2.788 1.00 14.45 H new ATOM 0 HD1 TYR A 80 7.740 1.956 2.843 1.00 64.44 H new ATOM 0 HD2 TYR A 80 8.154 -1.523 0.439 1.00 23.11 H new ATOM 0 HE1 TYR A 80 8.629 3.323 1.004 1.00 3.54 H new ATOM 0 HE2 TYR A 80 9.029 -0.175 -1.385 1.00 74.23 H new ATOM 0 HH TYR A 80 9.572 1.813 -2.098 1.00 64.15 H new ATOM 1131 N LEU A 81 4.509 -2.775 3.597 1.00 40.45 N ATOM 1132 CA LEU A 81 4.070 -3.819 4.508 1.00 23.40 C ATOM 1133 C LEU A 81 5.086 -4.937 4.486 1.00 44.11 C ATOM 1134 O LEU A 81 5.383 -5.487 3.418 1.00 54.43 O ATOM 1135 CB LEU A 81 2.689 -4.354 4.101 1.00 54.42 C ATOM 1136 CG LEU A 81 1.545 -3.336 4.069 1.00 50.23 C ATOM 1137 CD1 LEU A 81 0.264 -4.002 3.622 1.00 1.41 C ATOM 1138 CD2 LEU A 81 1.338 -2.711 5.431 1.00 43.34 C ATOM 0 H LEU A 81 4.069 -2.802 2.677 1.00 40.45 H new ATOM 0 HA LEU A 81 3.986 -3.408 5.514 1.00 23.40 H new ATOM 0 HB2 LEU A 81 2.775 -4.802 3.111 1.00 54.42 H new ATOM 0 HB3 LEU A 81 2.416 -5.153 4.790 1.00 54.42 H new ATOM 0 HG LEU A 81 1.814 -2.552 3.361 1.00 50.23 H new ATOM 0 HD11 LEU A 81 -0.541 -3.267 3.604 1.00 1.41 H new ATOM 0 HD12 LEU A 81 0.399 -4.417 2.623 1.00 1.41 H new ATOM 0 HD13 LEU A 81 0.009 -4.803 4.316 1.00 1.41 H new ATOM 0 HD21 LEU A 81 0.520 -1.992 5.381 1.00 43.34 H new ATOM 0 HD22 LEU A 81 1.094 -3.489 6.155 1.00 43.34 H new ATOM 0 HD23 LEU A 81 2.251 -2.201 5.740 1.00 43.34 H new ATOM 1146 N ILE A 82 5.626 -5.265 5.633 1.00 61.35 N ATOM 1147 CA ILE A 82 6.645 -6.280 5.712 1.00 22.43 C ATOM 1148 C ILE A 82 6.000 -7.653 5.881 1.00 22.14 C ATOM 1149 O ILE A 82 5.437 -7.975 6.935 1.00 10.41 O ATOM 1150 CB ILE A 82 7.642 -6.007 6.862 1.00 60.41 C ATOM 1151 CG1 ILE A 82 8.248 -4.589 6.740 1.00 34.03 C ATOM 1152 CG2 ILE A 82 8.748 -7.048 6.850 1.00 24.23 C ATOM 1153 CD1 ILE A 82 9.014 -4.330 5.450 1.00 12.52 C ATOM 0 H ILE A 82 5.376 -4.842 6.527 1.00 61.35 H new ATOM 0 HA ILE A 82 7.210 -6.259 4.780 1.00 22.43 H new ATOM 0 HB ILE A 82 7.102 -6.069 7.807 1.00 60.41 H new ATOM 0 HG12 ILE A 82 7.444 -3.858 6.822 1.00 34.03 H new ATOM 0 HG13 ILE A 82 8.918 -4.422 7.583 1.00 34.03 H new ATOM 0 HG21 ILE A 82 9.445 -6.847 7.663 1.00 24.23 H new ATOM 0 HG22 ILE A 82 8.315 -8.040 6.979 1.00 24.23 H new ATOM 0 HG23 ILE A 82 9.278 -7.005 5.899 1.00 24.23 H new ATOM 0 HD11 ILE A 82 9.401 -3.311 5.455 1.00 12.52 H new ATOM 0 HD12 ILE A 82 9.843 -5.033 5.372 1.00 12.52 H new ATOM 0 HD13 ILE A 82 8.347 -4.460 4.598 1.00 12.52 H new ATOM 1160 N THR A 83 6.083 -8.437 4.837 1.00 53.45 N ATOM 1161 CA THR A 83 5.446 -9.730 4.768 1.00 1.51 C ATOM 1162 C THR A 83 6.159 -10.841 5.545 1.00 3.52 C ATOM 1163 O THR A 83 5.711 -11.233 6.612 1.00 10.22 O ATOM 1164 CB THR A 83 5.238 -10.141 3.313 1.00 63.44 C ATOM 1165 OG1 THR A 83 6.479 -9.978 2.583 1.00 44.35 O ATOM 1166 CG2 THR A 83 4.134 -9.312 2.682 1.00 0.41 C ATOM 0 H THR A 83 6.604 -8.192 3.995 1.00 53.45 H new ATOM 0 HA THR A 83 4.484 -9.607 5.265 1.00 1.51 H new ATOM 0 HB THR A 83 4.938 -11.188 3.275 1.00 63.44 H new ATOM 0 HG1 THR A 83 6.556 -9.052 2.271 1.00 44.35 H new ATOM 0 HG21 THR A 83 3.998 -9.617 1.644 1.00 0.41 H new ATOM 0 HG22 THR A 83 3.205 -9.466 3.231 1.00 0.41 H new ATOM 0 HG23 THR A 83 4.406 -8.257 2.717 1.00 0.41 H new ATOM 1172 N LYS A 84 7.246 -11.354 5.003 1.00 71.24 N ATOM 1173 CA LYS A 84 7.992 -12.440 5.630 1.00 1.23 C ATOM 1174 C LYS A 84 9.478 -12.104 5.605 1.00 11.25 C ATOM 1175 O LYS A 84 9.871 -11.117 4.983 1.00 32.32 O ATOM 1176 CB LYS A 84 7.720 -13.775 4.899 1.00 12.21 C ATOM 1177 CG LYS A 84 6.240 -14.207 4.876 1.00 23.14 C ATOM 1178 CD LYS A 84 5.672 -14.546 6.270 1.00 23.50 C ATOM 1179 CE LYS A 84 6.309 -15.801 6.843 1.00 52.12 C ATOM 1180 NZ LYS A 84 5.791 -16.160 8.188 1.00 32.02 N ATOM 0 H LYS A 84 7.640 -11.035 4.118 1.00 71.24 H new ATOM 0 HA LYS A 84 7.668 -12.554 6.664 1.00 1.23 H new ATOM 0 HB2 LYS A 84 8.076 -13.690 3.872 1.00 12.21 H new ATOM 0 HB3 LYS A 84 8.306 -14.561 5.376 1.00 12.21 H new ATOM 0 HG2 LYS A 84 5.644 -13.408 4.435 1.00 23.14 H new ATOM 0 HG3 LYS A 84 6.135 -15.078 4.229 1.00 23.14 H new ATOM 0 HD2 LYS A 84 5.843 -13.709 6.947 1.00 23.50 H new ATOM 0 HD3 LYS A 84 4.593 -14.684 6.200 1.00 23.50 H new ATOM 0 HE2 LYS A 84 6.135 -16.633 6.160 1.00 52.12 H new ATOM 0 HE3 LYS A 84 7.388 -15.658 6.903 1.00 52.12 H new ATOM 0 HZ1 LYS A 84 6.264 -17.023 8.523 1.00 32.02 H new ATOM 0 HZ2 LYS A 84 5.980 -15.382 8.852 1.00 32.02 H new ATOM 0 HZ3 LYS A 84 4.766 -16.327 8.132 1.00 32.02 H new ATOM 1194 N LYS A 85 10.299 -12.931 6.254 1.00 23.30 N ATOM 1195 CA LYS A 85 11.742 -12.671 6.386 1.00 11.41 C ATOM 1196 C LYS A 85 12.478 -12.582 5.059 1.00 74.31 C ATOM 1197 O LYS A 85 13.351 -11.753 4.905 1.00 3.03 O ATOM 1198 CB LYS A 85 12.428 -13.723 7.250 1.00 70.34 C ATOM 1199 CG LYS A 85 11.953 -13.770 8.677 1.00 43.42 C ATOM 1200 CD LYS A 85 12.702 -14.825 9.452 1.00 32.54 C ATOM 1201 CE LYS A 85 12.156 -14.968 10.852 1.00 2.15 C ATOM 1202 NZ LYS A 85 12.892 -15.985 11.631 1.00 74.11 N ATOM 0 H LYS A 85 9.990 -13.794 6.701 1.00 23.30 H new ATOM 0 HA LYS A 85 11.798 -11.693 6.865 1.00 11.41 H new ATOM 0 HB2 LYS A 85 12.274 -14.703 6.797 1.00 70.34 H new ATOM 0 HB3 LYS A 85 13.502 -13.535 7.244 1.00 70.34 H new ATOM 0 HG2 LYS A 85 12.096 -12.796 9.146 1.00 43.42 H new ATOM 0 HG3 LYS A 85 10.884 -13.982 8.703 1.00 43.42 H new ATOM 0 HD2 LYS A 85 12.631 -15.780 8.932 1.00 32.54 H new ATOM 0 HD3 LYS A 85 13.759 -14.564 9.497 1.00 32.54 H new ATOM 0 HE2 LYS A 85 12.214 -14.007 11.364 1.00 2.15 H new ATOM 0 HE3 LYS A 85 11.102 -15.241 10.804 1.00 2.15 H new ATOM 0 HZ1 LYS A 85 12.486 -16.052 12.586 1.00 74.11 H new ATOM 0 HZ2 LYS A 85 12.816 -16.908 11.157 1.00 74.11 H new ATOM 0 HZ3 LYS A 85 13.893 -15.712 11.699 1.00 74.11 H new ATOM 1216 N ARG A 86 12.137 -13.442 4.100 1.00 15.53 N ATOM 1217 CA ARG A 86 12.890 -13.488 2.838 1.00 10.11 C ATOM 1218 C ARG A 86 11.979 -13.642 1.640 1.00 51.40 C ATOM 1219 O ARG A 86 10.854 -14.109 1.779 1.00 72.20 O ATOM 1220 CB ARG A 86 13.953 -14.596 2.865 1.00 21.12 C ATOM 1221 CG ARG A 86 14.964 -14.456 3.992 1.00 54.10 C ATOM 1222 CD ARG A 86 16.004 -15.542 3.952 1.00 35.21 C ATOM 1223 NE ARG A 86 16.974 -15.399 5.035 1.00 61.30 N ATOM 1224 CZ ARG A 86 18.096 -16.108 5.153 1.00 41.44 C ATOM 1225 NH1 ARG A 86 18.423 -17.001 4.228 1.00 11.13 N ATOM 1226 NH2 ARG A 86 18.894 -15.907 6.189 1.00 61.21 N ATOM 0 H ARG A 86 11.363 -14.104 4.164 1.00 15.53 H new ATOM 0 HA ARG A 86 13.400 -12.530 2.736 1.00 10.11 H new ATOM 0 HB2 ARG A 86 13.455 -15.561 2.956 1.00 21.12 H new ATOM 0 HB3 ARG A 86 14.484 -14.599 1.913 1.00 21.12 H new ATOM 0 HG2 ARG A 86 15.452 -13.484 3.923 1.00 54.10 H new ATOM 0 HG3 ARG A 86 14.445 -14.485 4.950 1.00 54.10 H new ATOM 0 HD2 ARG A 86 15.518 -16.515 4.025 1.00 35.21 H new ATOM 0 HD3 ARG A 86 16.522 -15.515 2.993 1.00 35.21 H new ATOM 0 HE ARG A 86 16.778 -14.704 5.755 1.00 61.30 H new ATOM 0 HH11 ARG A 86 17.815 -17.147 3.422 1.00 11.13 H new ATOM 0 HH12 ARG A 86 19.283 -17.542 4.322 1.00 11.13 H new ATOM 0 HH21 ARG A 86 18.649 -15.211 6.894 1.00 61.21 H new ATOM 0 HH22 ARG A 86 19.754 -16.448 6.283 1.00 61.21 H new ATOM 1238 N ALA A 87 12.485 -13.274 0.465 1.00 52.32 N ATOM 1239 CA ALA A 87 11.713 -13.280 -0.786 1.00 0.00 C ATOM 1240 C ALA A 87 11.276 -14.687 -1.214 1.00 4.23 C ATOM 1241 O ALA A 87 10.237 -14.850 -1.855 1.00 60.52 O ATOM 1242 CB ALA A 87 12.510 -12.606 -1.898 1.00 32.22 C ATOM 0 H ALA A 87 13.448 -12.960 0.348 1.00 52.32 H new ATOM 0 HA ALA A 87 10.799 -12.716 -0.598 1.00 0.00 H new ATOM 0 HB1 ALA A 87 11.929 -12.616 -2.820 1.00 32.22 H new ATOM 0 HB2 ALA A 87 12.727 -11.575 -1.617 1.00 32.22 H new ATOM 0 HB3 ALA A 87 13.445 -13.144 -2.053 1.00 32.22 H new ATOM 1248 N SER A 88 12.064 -15.693 -0.854 1.00 74.54 N ATOM 1249 CA SER A 88 11.741 -17.072 -1.188 1.00 61.53 C ATOM 1250 C SER A 88 10.656 -17.637 -0.251 1.00 30.41 C ATOM 1251 O SER A 88 10.175 -18.757 -0.445 1.00 12.21 O ATOM 1252 CB SER A 88 13.012 -17.953 -1.155 1.00 31.20 C ATOM 1253 OG SER A 88 12.727 -19.312 -1.502 1.00 31.25 O ATOM 0 H SER A 88 12.932 -15.578 -0.330 1.00 74.54 H new ATOM 0 HA SER A 88 11.340 -17.085 -2.202 1.00 61.53 H new ATOM 0 HB2 SER A 88 13.752 -17.549 -1.846 1.00 31.20 H new ATOM 0 HB3 SER A 88 13.453 -17.917 -0.159 1.00 31.20 H new ATOM 0 HG SER A 88 11.804 -19.526 -1.254 1.00 31.25 H new ATOM 1259 N HIS A 89 10.269 -16.867 0.748 1.00 5.41 N ATOM 1260 CA HIS A 89 9.230 -17.302 1.670 1.00 50.03 C ATOM 1261 C HIS A 89 7.901 -16.925 1.087 1.00 51.44 C ATOM 1262 O HIS A 89 7.782 -15.876 0.455 1.00 2.04 O ATOM 1263 CB HIS A 89 9.363 -16.633 3.055 1.00 3.41 C ATOM 1264 CG HIS A 89 10.592 -16.975 3.862 1.00 50.01 C ATOM 1265 ND1 HIS A 89 11.833 -17.356 3.494 1.00 11.31 N flip ATOM 1266 CD2 HIS A 89 10.636 -16.844 5.228 1.00 41.45 C flip ATOM 1267 CE1 HIS A 89 12.589 -17.432 4.638 1.00 63.34 C flip ATOM 1268 NE2 HIS A 89 11.837 -17.114 5.665 1.00 32.43 N flip ATOM 0 H HIS A 89 10.654 -15.943 0.944 1.00 5.41 H new ATOM 0 HA HIS A 89 9.325 -18.379 1.807 1.00 50.03 H new ATOM 0 HB2 HIS A 89 9.339 -15.552 2.914 1.00 3.41 H new ATOM 0 HB3 HIS A 89 8.485 -16.897 3.645 1.00 3.41 H new ATOM 0 HD2 HIS A 89 9.800 -16.559 5.850 1.00 41.45 H new ATOM 0 HE1 HIS A 89 13.632 -17.708 4.685 1.00 63.34 H new ATOM 0 HE2 HIS A 89 12.139 -17.083 6.639 1.00 32.43 H new ATOM 1277 N LYS A 90 6.920 -17.758 1.268 1.00 24.32 N ATOM 1278 CA LYS A 90 5.600 -17.451 0.781 1.00 21.02 C ATOM 1279 C LYS A 90 4.878 -16.656 1.851 1.00 72.41 C ATOM 1280 O LYS A 90 4.766 -17.120 2.996 1.00 73.23 O ATOM 1281 CB LYS A 90 4.830 -18.737 0.449 1.00 42.45 C ATOM 1282 CG LYS A 90 3.424 -18.500 -0.092 1.00 21.24 C ATOM 1283 CD LYS A 90 2.732 -19.813 -0.407 1.00 23.14 C ATOM 1284 CE LYS A 90 1.326 -19.591 -0.934 1.00 54.33 C ATOM 1285 NZ LYS A 90 0.653 -20.867 -1.246 1.00 21.11 N ATOM 0 H LYS A 90 7.004 -18.654 1.748 1.00 24.32 H new ATOM 0 HA LYS A 90 5.668 -16.867 -0.137 1.00 21.02 H new ATOM 0 HB2 LYS A 90 5.398 -19.309 -0.285 1.00 42.45 H new ATOM 0 HB3 LYS A 90 4.763 -19.350 1.348 1.00 42.45 H new ATOM 0 HG2 LYS A 90 2.839 -17.943 0.640 1.00 21.24 H new ATOM 0 HG3 LYS A 90 3.476 -17.887 -0.992 1.00 21.24 H new ATOM 0 HD2 LYS A 90 3.315 -20.364 -1.145 1.00 23.14 H new ATOM 0 HD3 LYS A 90 2.691 -20.428 0.492 1.00 23.14 H new ATOM 0 HE2 LYS A 90 0.742 -19.043 -0.194 1.00 54.33 H new ATOM 0 HE3 LYS A 90 1.367 -18.972 -1.830 1.00 54.33 H new ATOM 0 HZ1 LYS A 90 -0.305 -20.676 -1.603 1.00 21.11 H new ATOM 0 HZ2 LYS A 90 1.197 -21.378 -1.970 1.00 21.11 H new ATOM 0 HZ3 LYS A 90 0.592 -21.447 -0.385 1.00 21.11 H new ATOM 1299 N PRO A 91 4.419 -15.441 1.528 1.00 21.20 N ATOM 1300 CA PRO A 91 3.744 -14.592 2.489 1.00 60.10 C ATOM 1301 C PRO A 91 2.457 -15.210 2.996 1.00 4.05 C ATOM 1302 O PRO A 91 1.710 -15.860 2.247 1.00 25.15 O ATOM 1303 CB PRO A 91 3.463 -13.298 1.724 1.00 22.40 C ATOM 1304 CG PRO A 91 3.533 -13.680 0.291 1.00 74.35 C ATOM 1305 CD PRO A 91 4.521 -14.803 0.202 1.00 54.21 C ATOM 0 HA PRO A 91 4.353 -14.434 3.379 1.00 60.10 H new ATOM 0 HB2 PRO A 91 2.483 -12.894 1.978 1.00 22.40 H new ATOM 0 HB3 PRO A 91 4.197 -12.529 1.964 1.00 22.40 H new ATOM 0 HG2 PRO A 91 2.555 -13.992 -0.076 1.00 74.35 H new ATOM 0 HG3 PRO A 91 3.848 -12.835 -0.321 1.00 74.35 H new ATOM 0 HD2 PRO A 91 4.271 -15.497 -0.600 1.00 54.21 H new ATOM 0 HD3 PRO A 91 5.529 -14.439 0.006 1.00 54.21 H new ATOM 1313 N THR A 92 2.208 -15.034 4.257 1.00 10.30 N ATOM 1314 CA THR A 92 1.061 -15.531 4.843 1.00 14.45 C ATOM 1315 C THR A 92 0.056 -14.420 5.067 1.00 63.13 C ATOM 1316 O THR A 92 0.426 -13.238 5.192 1.00 24.13 O ATOM 1317 CB THR A 92 1.423 -16.218 6.163 1.00 21.41 C ATOM 1318 OG1 THR A 92 2.261 -15.360 6.965 1.00 41.11 O ATOM 1319 CG2 THR A 92 2.111 -17.558 5.930 1.00 25.22 C ATOM 0 H THR A 92 2.823 -14.529 4.895 1.00 10.30 H new ATOM 0 HA THR A 92 0.603 -16.263 4.178 1.00 14.45 H new ATOM 0 HB THR A 92 0.493 -16.410 6.699 1.00 21.41 H new ATOM 0 HG1 THR A 92 2.876 -15.907 7.497 1.00 41.11 H new ATOM 0 HG21 THR A 92 2.352 -18.015 6.890 1.00 25.22 H new ATOM 0 HG22 THR A 92 1.446 -18.216 5.372 1.00 25.22 H new ATOM 0 HG23 THR A 92 3.028 -17.402 5.362 1.00 25.22 H new ATOM 1325 N TYR A 93 -1.193 -14.796 5.137 1.00 1.22 N ATOM 1326 CA TYR A 93 -2.277 -13.864 5.357 1.00 44.40 C ATOM 1327 C TYR A 93 -2.228 -13.335 6.772 1.00 14.04 C ATOM 1328 O TYR A 93 -2.610 -12.196 7.051 1.00 41.44 O ATOM 1329 CB TYR A 93 -3.612 -14.522 5.032 1.00 30.12 C ATOM 1330 CG TYR A 93 -3.795 -14.779 3.547 1.00 64.41 C ATOM 1331 CD1 TYR A 93 -3.326 -15.939 2.940 1.00 2.30 C ATOM 1332 CD2 TYR A 93 -4.436 -13.849 2.757 1.00 53.33 C ATOM 1333 CE1 TYR A 93 -3.499 -16.147 1.580 1.00 0.40 C ATOM 1334 CE2 TYR A 93 -4.611 -14.050 1.417 1.00 14.12 C ATOM 1335 CZ TYR A 93 -4.147 -15.192 0.826 1.00 70.52 C ATOM 1336 OH TYR A 93 -4.336 -15.376 -0.528 1.00 15.43 O ATOM 0 H TYR A 93 -1.494 -15.766 5.043 1.00 1.22 H new ATOM 0 HA TYR A 93 -2.166 -13.011 4.687 1.00 44.40 H new ATOM 0 HB2 TYR A 93 -3.687 -15.466 5.571 1.00 30.12 H new ATOM 0 HB3 TYR A 93 -4.422 -13.886 5.388 1.00 30.12 H new ATOM 0 HD1 TYR A 93 -2.821 -16.686 3.535 1.00 2.30 H new ATOM 0 HD2 TYR A 93 -4.808 -12.941 3.207 1.00 53.33 H new ATOM 0 HE1 TYR A 93 -3.129 -17.049 1.116 1.00 0.40 H new ATOM 0 HE2 TYR A 93 -5.118 -13.304 0.823 1.00 14.12 H new ATOM 0 HH TYR A 93 -4.797 -14.597 -0.903 1.00 15.43 H new ATOM 1346 N GLU A 94 -1.737 -14.179 7.642 1.00 43.32 N ATOM 1347 CA GLU A 94 -1.507 -13.887 9.040 1.00 32.24 C ATOM 1348 C GLU A 94 -0.703 -12.594 9.200 1.00 40.13 C ATOM 1349 O GLU A 94 -1.097 -11.696 9.954 1.00 70.10 O ATOM 1350 CB GLU A 94 -0.729 -15.052 9.625 1.00 50.24 C ATOM 1351 CG GLU A 94 -0.348 -14.928 11.075 1.00 63.54 C ATOM 1352 CD GLU A 94 0.479 -16.096 11.512 1.00 34.25 C ATOM 1353 OE1 GLU A 94 -0.094 -17.140 11.858 1.00 72.14 O ATOM 1354 OE2 GLU A 94 1.715 -15.993 11.507 1.00 34.53 O ATOM 0 H GLU A 94 -1.474 -15.131 7.388 1.00 43.32 H new ATOM 0 HA GLU A 94 -2.458 -13.752 9.556 1.00 32.24 H new ATOM 0 HB2 GLU A 94 -1.322 -15.958 9.502 1.00 50.24 H new ATOM 0 HB3 GLU A 94 0.181 -15.185 9.041 1.00 50.24 H new ATOM 0 HG2 GLU A 94 0.209 -14.004 11.231 1.00 63.54 H new ATOM 0 HG3 GLU A 94 -1.248 -14.865 11.687 1.00 63.54 H new ATOM 1361 N ASN A 95 0.406 -12.501 8.472 1.00 2.13 N ATOM 1362 CA ASN A 95 1.271 -11.328 8.534 1.00 11.32 C ATOM 1363 C ASN A 95 0.692 -10.155 7.795 1.00 61.10 C ATOM 1364 O ASN A 95 0.939 -9.004 8.167 1.00 55.24 O ATOM 1365 CB ASN A 95 2.712 -11.621 8.094 1.00 51.31 C ATOM 1366 CG ASN A 95 3.456 -12.480 9.099 1.00 70.53 C ATOM 1367 OD1 ASN A 95 4.087 -11.968 10.018 1.00 73.20 O ATOM 1368 ND2 ASN A 95 3.394 -13.773 8.937 1.00 63.42 N ATOM 0 H ASN A 95 0.727 -13.226 7.831 1.00 2.13 H new ATOM 0 HA ASN A 95 1.322 -11.053 9.588 1.00 11.32 H new ATOM 0 HB2 ASN A 95 2.699 -12.125 7.127 1.00 51.31 H new ATOM 0 HB3 ASN A 95 3.246 -10.681 7.957 1.00 51.31 H new ATOM 0 HD21 ASN A 95 3.880 -14.392 9.586 1.00 63.42 H new ATOM 0 HD22 ASN A 95 2.860 -14.165 8.161 1.00 63.42 H new ATOM 1374 N LEU A 96 -0.086 -10.429 6.744 1.00 60.23 N ATOM 1375 CA LEU A 96 -0.748 -9.355 6.009 1.00 73.30 C ATOM 1376 C LEU A 96 -1.652 -8.595 6.918 1.00 15.30 C ATOM 1377 O LEU A 96 -1.586 -7.377 6.972 1.00 52.40 O ATOM 1378 CB LEU A 96 -1.570 -9.860 4.833 1.00 24.33 C ATOM 1379 CG LEU A 96 -0.810 -10.508 3.715 1.00 4.32 C ATOM 1380 CD1 LEU A 96 -1.752 -10.828 2.571 1.00 23.53 C ATOM 1381 CD2 LEU A 96 0.324 -9.602 3.270 1.00 63.53 C ATOM 0 H LEU A 96 -0.269 -11.368 6.390 1.00 60.23 H new ATOM 0 HA LEU A 96 0.046 -8.717 5.620 1.00 73.30 H new ATOM 0 HB2 LEU A 96 -2.300 -10.577 5.210 1.00 24.33 H new ATOM 0 HB3 LEU A 96 -2.130 -9.020 4.423 1.00 24.33 H new ATOM 0 HG LEU A 96 -0.373 -11.445 4.061 1.00 4.32 H new ATOM 0 HD11 LEU A 96 -1.194 -11.299 1.761 1.00 23.53 H new ATOM 0 HD12 LEU A 96 -2.530 -11.508 2.919 1.00 23.53 H new ATOM 0 HD13 LEU A 96 -2.210 -9.908 2.209 1.00 23.53 H new ATOM 0 HD21 LEU A 96 0.873 -10.078 2.457 1.00 63.53 H new ATOM 0 HD22 LEU A 96 -0.084 -8.652 2.925 1.00 63.53 H new ATOM 0 HD23 LEU A 96 0.998 -9.425 4.108 1.00 63.53 H new ATOM 1389 N GLN A 97 -2.481 -9.334 7.655 1.00 61.31 N ATOM 1390 CA GLN A 97 -3.423 -8.762 8.596 1.00 11.01 C ATOM 1391 C GLN A 97 -2.704 -7.821 9.538 1.00 71.22 C ATOM 1392 O GLN A 97 -3.087 -6.675 9.696 1.00 32.33 O ATOM 1393 CB GLN A 97 -4.066 -9.873 9.408 1.00 32.52 C ATOM 1394 CG GLN A 97 -5.076 -9.395 10.432 1.00 2.42 C ATOM 1395 CD GLN A 97 -5.546 -10.518 11.316 1.00 23.35 C ATOM 1396 OE1 GLN A 97 -4.800 -11.463 11.575 1.00 63.21 O ATOM 1397 NE2 GLN A 97 -6.758 -10.442 11.778 1.00 53.22 N ATOM 0 H GLN A 97 -2.512 -10.353 7.610 1.00 61.31 H new ATOM 0 HA GLN A 97 -4.186 -8.214 8.044 1.00 11.01 H new ATOM 0 HB2 GLN A 97 -4.558 -10.567 8.726 1.00 32.52 H new ATOM 0 HB3 GLN A 97 -3.283 -10.432 9.921 1.00 32.52 H new ATOM 0 HG2 GLN A 97 -4.630 -8.612 11.045 1.00 2.42 H new ATOM 0 HG3 GLN A 97 -5.931 -8.952 9.921 1.00 2.42 H new ATOM 0 HE21 GLN A 97 -7.345 -9.642 11.540 1.00 53.22 H new ATOM 0 HE22 GLN A 97 -7.122 -11.182 12.378 1.00 53.22 H new ATOM 1405 N LYS A 98 -1.619 -8.321 10.107 1.00 23.15 N ATOM 1406 CA LYS A 98 -0.833 -7.591 11.086 1.00 55.21 C ATOM 1407 C LYS A 98 -0.276 -6.298 10.491 1.00 4.44 C ATOM 1408 O LYS A 98 -0.209 -5.262 11.171 1.00 25.11 O ATOM 1409 CB LYS A 98 0.320 -8.460 11.583 1.00 71.11 C ATOM 1410 CG LYS A 98 -0.103 -9.808 12.153 1.00 64.01 C ATOM 1411 CD LYS A 98 -1.043 -9.672 13.334 1.00 25.24 C ATOM 1412 CE LYS A 98 -1.470 -11.041 13.863 1.00 52.11 C ATOM 1413 NZ LYS A 98 -2.259 -11.827 12.869 1.00 63.41 N ATOM 0 H LYS A 98 -1.257 -9.252 9.900 1.00 23.15 H new ATOM 0 HA LYS A 98 -1.487 -7.336 11.920 1.00 55.21 H new ATOM 0 HB2 LYS A 98 1.012 -8.630 10.758 1.00 71.11 H new ATOM 0 HB3 LYS A 98 0.867 -7.911 12.350 1.00 71.11 H new ATOM 0 HG2 LYS A 98 -0.589 -10.392 11.372 1.00 64.01 H new ATOM 0 HG3 LYS A 98 0.783 -10.363 12.461 1.00 64.01 H new ATOM 0 HD2 LYS A 98 -0.553 -9.109 14.129 1.00 25.24 H new ATOM 0 HD3 LYS A 98 -1.924 -9.103 13.037 1.00 25.24 H new ATOM 0 HE2 LYS A 98 -0.583 -11.608 14.146 1.00 52.11 H new ATOM 0 HE3 LYS A 98 -2.064 -10.907 14.767 1.00 52.11 H new ATOM 0 HZ1 LYS A 98 -2.521 -12.745 13.282 1.00 63.41 H new ATOM 0 HZ2 LYS A 98 -3.121 -11.302 12.617 1.00 63.41 H new ATOM 0 HZ3 LYS A 98 -1.686 -11.982 12.015 1.00 63.41 H new ATOM 1427 N SER A 99 0.100 -6.355 9.226 1.00 61.02 N ATOM 1428 CA SER A 99 0.665 -5.219 8.566 1.00 1.51 C ATOM 1429 C SER A 99 -0.450 -4.223 8.167 1.00 51.22 C ATOM 1430 O SER A 99 -0.288 -3.002 8.295 1.00 12.32 O ATOM 1431 CB SER A 99 1.455 -5.696 7.353 1.00 0.13 C ATOM 1432 OG SER A 99 2.415 -6.668 7.741 1.00 3.40 O ATOM 0 H SER A 99 0.019 -7.187 8.642 1.00 61.02 H new ATOM 0 HA SER A 99 1.343 -4.693 9.238 1.00 1.51 H new ATOM 0 HB2 SER A 99 0.777 -6.120 6.613 1.00 0.13 H new ATOM 0 HB3 SER A 99 1.954 -4.850 6.880 1.00 0.13 H new ATOM 0 HG SER A 99 1.964 -7.518 7.926 1.00 3.40 H new ATOM 1438 N LEU A 100 -1.587 -4.757 7.726 1.00 64.11 N ATOM 1439 CA LEU A 100 -2.735 -3.945 7.332 1.00 2.44 C ATOM 1440 C LEU A 100 -3.272 -3.149 8.527 1.00 32.22 C ATOM 1441 O LEU A 100 -3.696 -1.990 8.384 1.00 31.31 O ATOM 1442 CB LEU A 100 -3.857 -4.821 6.737 1.00 71.40 C ATOM 1443 CG LEU A 100 -3.549 -5.597 5.432 1.00 31.25 C ATOM 1444 CD1 LEU A 100 -4.742 -6.426 5.034 1.00 41.12 C ATOM 1445 CD2 LEU A 100 -3.201 -4.641 4.307 1.00 2.24 C ATOM 0 H LEU A 100 -1.738 -5.761 7.632 1.00 64.11 H new ATOM 0 HA LEU A 100 -2.398 -3.247 6.566 1.00 2.44 H new ATOM 0 HB2 LEU A 100 -4.155 -5.545 7.495 1.00 71.40 H new ATOM 0 HB3 LEU A 100 -4.719 -4.181 6.551 1.00 71.40 H new ATOM 0 HG LEU A 100 -2.695 -6.249 5.616 1.00 31.25 H new ATOM 0 HD11 LEU A 100 -4.518 -6.969 4.116 1.00 41.12 H new ATOM 0 HD12 LEU A 100 -4.973 -7.136 5.828 1.00 41.12 H new ATOM 0 HD13 LEU A 100 -5.600 -5.774 4.870 1.00 41.12 H new ATOM 0 HD21 LEU A 100 -2.988 -5.208 3.401 1.00 2.24 H new ATOM 0 HD22 LEU A 100 -4.041 -3.970 4.127 1.00 2.24 H new ATOM 0 HD23 LEU A 100 -2.323 -4.057 4.584 1.00 2.24 H new ATOM 1453 N GLU A 101 -3.211 -3.763 9.704 1.00 4.44 N ATOM 1454 CA GLU A 101 -3.697 -3.131 10.947 1.00 23.35 C ATOM 1455 C GLU A 101 -2.848 -1.923 11.297 1.00 22.21 C ATOM 1456 O GLU A 101 -3.341 -0.922 11.825 1.00 35.23 O ATOM 1457 CB GLU A 101 -3.684 -4.105 12.132 1.00 11.24 C ATOM 1458 CG GLU A 101 -4.561 -5.331 11.973 1.00 22.43 C ATOM 1459 CD GLU A 101 -4.522 -6.219 13.195 1.00 5.02 C ATOM 1460 OE1 GLU A 101 -3.475 -6.856 13.452 1.00 70.42 O ATOM 1461 OE2 GLU A 101 -5.544 -6.301 13.917 1.00 75.13 O ATOM 0 H GLU A 101 -2.830 -4.700 9.834 1.00 4.44 H new ATOM 0 HA GLU A 101 -4.727 -2.825 10.762 1.00 23.35 H new ATOM 0 HB2 GLU A 101 -2.658 -4.432 12.301 1.00 11.24 H new ATOM 0 HB3 GLU A 101 -3.998 -3.567 13.026 1.00 11.24 H new ATOM 0 HG2 GLU A 101 -5.588 -5.019 11.784 1.00 22.43 H new ATOM 0 HG3 GLU A 101 -4.235 -5.899 11.102 1.00 22.43 H new ATOM 1468 N ALA A 102 -1.581 -2.009 10.984 1.00 43.14 N ATOM 1469 CA ALA A 102 -0.663 -0.946 11.275 1.00 40.11 C ATOM 1470 C ALA A 102 -0.931 0.266 10.380 1.00 22.55 C ATOM 1471 O ALA A 102 -0.754 1.412 10.805 1.00 33.21 O ATOM 1472 CB ALA A 102 0.765 -1.431 11.148 1.00 65.52 C ATOM 0 H ALA A 102 -1.161 -2.816 10.522 1.00 43.14 H new ATOM 0 HA ALA A 102 -0.815 -0.627 12.306 1.00 40.11 H new ATOM 0 HB1 ALA A 102 1.449 -0.612 11.372 1.00 65.52 H new ATOM 0 HB2 ALA A 102 0.935 -2.248 11.849 1.00 65.52 H new ATOM 0 HB3 ALA A 102 0.941 -1.783 10.131 1.00 65.52 H new ATOM 1478 N MET A 103 -1.396 0.019 9.151 1.00 40.35 N ATOM 1479 CA MET A 103 -1.693 1.116 8.235 1.00 1.03 C ATOM 1480 C MET A 103 -2.879 1.912 8.687 1.00 40.03 C ATOM 1481 O MET A 103 -2.818 3.135 8.706 1.00 2.41 O ATOM 1482 CB MET A 103 -1.899 0.682 6.789 1.00 30.24 C ATOM 1483 CG MET A 103 -0.692 0.068 6.140 1.00 71.44 C ATOM 1484 SD MET A 103 -0.905 -0.152 4.361 1.00 22.11 S ATOM 1485 CE MET A 103 -2.368 -1.171 4.305 1.00 40.50 C ATOM 0 H MET A 103 -1.571 -0.913 8.776 1.00 40.35 H new ATOM 0 HA MET A 103 -0.800 1.740 8.259 1.00 1.03 H new ATOM 0 HB2 MET A 103 -2.719 -0.036 6.753 1.00 30.24 H new ATOM 0 HB3 MET A 103 -2.208 1.549 6.204 1.00 30.24 H new ATOM 0 HG2 MET A 103 0.177 0.700 6.324 1.00 71.44 H new ATOM 0 HG3 MET A 103 -0.487 -0.898 6.601 1.00 71.44 H new ATOM 0 HE1 MET A 103 -2.293 -1.870 3.472 1.00 40.50 H new ATOM 0 HE2 MET A 103 -2.460 -1.726 5.238 1.00 40.50 H new ATOM 0 HE3 MET A 103 -3.246 -0.540 4.170 1.00 40.50 H new ATOM 1495 N LYS A 104 -3.967 1.228 9.063 1.00 55.33 N ATOM 1496 CA LYS A 104 -5.162 1.929 9.526 1.00 22.13 C ATOM 1497 C LYS A 104 -4.851 2.767 10.746 1.00 4.21 C ATOM 1498 O LYS A 104 -5.266 3.914 10.840 1.00 22.35 O ATOM 1499 CB LYS A 104 -6.329 0.984 9.808 1.00 24.21 C ATOM 1500 CG LYS A 104 -6.079 -0.049 10.882 1.00 22.25 C ATOM 1501 CD LYS A 104 -7.350 -0.742 11.298 1.00 4.21 C ATOM 1502 CE LYS A 104 -8.353 0.278 11.772 1.00 14.24 C ATOM 1503 NZ LYS A 104 -9.519 -0.340 12.429 1.00 4.21 N ATOM 0 H LYS A 104 -4.041 0.211 9.055 1.00 55.33 H new ATOM 0 HA LYS A 104 -5.475 2.585 8.714 1.00 22.13 H new ATOM 0 HB2 LYS A 104 -7.196 1.579 10.095 1.00 24.21 H new ATOM 0 HB3 LYS A 104 -6.588 0.468 8.884 1.00 24.21 H new ATOM 0 HG2 LYS A 104 -5.365 -0.787 10.517 1.00 22.25 H new ATOM 0 HG3 LYS A 104 -5.626 0.431 11.749 1.00 22.25 H new ATOM 0 HD2 LYS A 104 -7.759 -1.306 10.460 1.00 4.21 H new ATOM 0 HD3 LYS A 104 -7.142 -1.458 12.093 1.00 4.21 H new ATOM 0 HE2 LYS A 104 -7.869 0.963 12.468 1.00 14.24 H new ATOM 0 HE3 LYS A 104 -8.691 0.872 10.923 1.00 14.24 H new ATOM 0 HZ1 LYS A 104 -10.179 0.403 12.736 1.00 4.21 H new ATOM 0 HZ2 LYS A 104 -9.999 -0.974 11.759 1.00 4.21 H new ATOM 0 HZ3 LYS A 104 -9.203 -0.886 13.256 1.00 4.21 H new ATOM 1517 N SER A 105 -4.088 2.192 11.652 1.00 41.25 N ATOM 1518 CA SER A 105 -3.666 2.863 12.855 1.00 52.43 C ATOM 1519 C SER A 105 -2.899 4.154 12.494 1.00 21.41 C ATOM 1520 O SER A 105 -3.169 5.230 13.045 1.00 32.43 O ATOM 1521 CB SER A 105 -2.788 1.907 13.677 1.00 22.31 C ATOM 1522 OG SER A 105 -2.436 2.451 14.935 1.00 51.04 O ATOM 0 H SER A 105 -3.742 1.236 11.569 1.00 41.25 H new ATOM 0 HA SER A 105 -4.533 3.145 13.452 1.00 52.43 H new ATOM 0 HB2 SER A 105 -3.319 0.967 13.826 1.00 22.31 H new ATOM 0 HB3 SER A 105 -1.882 1.677 13.117 1.00 22.31 H new ATOM 0 HG SER A 105 -1.880 1.810 15.425 1.00 51.04 H new ATOM 1528 N HIS A 106 -1.982 4.044 11.535 1.00 34.23 N ATOM 1529 CA HIS A 106 -1.208 5.192 11.072 1.00 52.42 C ATOM 1530 C HIS A 106 -2.104 6.235 10.390 1.00 52.43 C ATOM 1531 O HIS A 106 -1.889 7.445 10.539 1.00 43.10 O ATOM 1532 CB HIS A 106 -0.078 4.749 10.120 1.00 64.21 C ATOM 1533 CG HIS A 106 0.729 5.891 9.556 1.00 32.11 C ATOM 1534 ND1 HIS A 106 0.449 6.481 8.340 1.00 30.05 N ATOM 1535 CD2 HIS A 106 1.793 6.562 10.050 1.00 31.21 C ATOM 1536 CE1 HIS A 106 1.285 7.454 8.120 1.00 31.31 C ATOM 1537 NE2 HIS A 106 2.114 7.529 9.135 1.00 64.11 N ATOM 0 H HIS A 106 -1.757 3.168 11.063 1.00 34.23 H new ATOM 0 HA HIS A 106 -0.758 5.657 11.950 1.00 52.42 H new ATOM 0 HB2 HIS A 106 0.590 4.074 10.655 1.00 64.21 H new ATOM 0 HB3 HIS A 106 -0.512 4.182 9.296 1.00 64.21 H new ATOM 0 HD1 HIS A 106 -0.300 6.197 7.709 1.00 30.05 H new ATOM 0 HD2 HIS A 106 2.294 6.372 10.987 1.00 31.21 H new ATOM 0 HE1 HIS A 106 1.295 8.092 7.249 1.00 31.31 H new ATOM 1546 N CYS A 107 -3.087 5.768 9.651 1.00 40.11 N ATOM 1547 CA CYS A 107 -3.978 6.644 8.924 1.00 25.41 C ATOM 1548 C CYS A 107 -4.787 7.545 9.858 1.00 15.01 C ATOM 1549 O CYS A 107 -4.829 8.754 9.652 1.00 70.11 O ATOM 1550 CB CYS A 107 -4.865 5.858 7.972 1.00 23.51 C ATOM 1551 SG CYS A 107 -3.947 4.963 6.696 1.00 51.20 S ATOM 0 H CYS A 107 -3.290 4.775 9.538 1.00 40.11 H new ATOM 0 HA CYS A 107 -3.361 7.308 8.318 1.00 25.41 H new ATOM 0 HB2 CYS A 107 -5.459 5.147 8.546 1.00 23.51 H new ATOM 0 HB3 CYS A 107 -5.564 6.543 7.492 1.00 23.51 H new ATOM 0 HG CYS A 107 -3.235 4.027 7.250 1.00 51.20 H new ATOM 1557 N LEU A 108 -5.400 6.976 10.892 1.00 63.25 N ATOM 1558 CA LEU A 108 -6.137 7.797 11.859 1.00 63.30 C ATOM 1559 C LEU A 108 -5.193 8.696 12.648 1.00 42.14 C ATOM 1560 O LEU A 108 -5.524 9.838 12.960 1.00 62.34 O ATOM 1561 CB LEU A 108 -7.021 6.967 12.822 1.00 74.54 C ATOM 1562 CG LEU A 108 -8.304 6.317 12.250 1.00 13.30 C ATOM 1563 CD1 LEU A 108 -9.229 7.360 11.643 1.00 53.53 C ATOM 1564 CD2 LEU A 108 -8.004 5.217 11.259 1.00 33.23 C ATOM 0 H LEU A 108 -5.405 5.974 11.083 1.00 63.25 H new ATOM 0 HA LEU A 108 -6.813 8.417 11.270 1.00 63.30 H new ATOM 0 HB2 LEU A 108 -6.403 6.173 13.243 1.00 74.54 H new ATOM 0 HB3 LEU A 108 -7.314 7.615 13.648 1.00 74.54 H new ATOM 0 HG LEU A 108 -8.818 5.853 13.092 1.00 13.30 H new ATOM 0 HD11 LEU A 108 -10.121 6.871 11.250 1.00 53.53 H new ATOM 0 HD12 LEU A 108 -9.517 8.080 12.409 1.00 53.53 H new ATOM 0 HD13 LEU A 108 -8.713 7.877 10.834 1.00 53.53 H new ATOM 0 HD21 LEU A 108 -8.939 4.796 10.889 1.00 33.23 H new ATOM 0 HD22 LEU A 108 -7.434 5.625 10.424 1.00 33.23 H new ATOM 0 HD23 LEU A 108 -7.422 4.436 11.748 1.00 33.23 H new ATOM 1572 N LYS A 109 -4.010 8.182 12.943 1.00 33.51 N ATOM 1573 CA LYS A 109 -3.008 8.921 13.697 1.00 33.11 C ATOM 1574 C LYS A 109 -2.552 10.182 12.944 1.00 43.24 C ATOM 1575 O LYS A 109 -2.413 11.248 13.535 1.00 63.13 O ATOM 1576 CB LYS A 109 -1.799 8.012 13.991 1.00 75.04 C ATOM 1577 CG LYS A 109 -0.674 8.657 14.817 1.00 31.24 C ATOM 1578 CD LYS A 109 -1.129 9.071 16.220 1.00 34.15 C ATOM 1579 CE LYS A 109 -1.611 7.878 17.048 1.00 75.42 C ATOM 1580 NZ LYS A 109 -0.562 6.845 17.228 1.00 22.45 N ATOM 0 H LYS A 109 -3.717 7.244 12.668 1.00 33.51 H new ATOM 0 HA LYS A 109 -3.460 9.240 14.636 1.00 33.11 H new ATOM 0 HB2 LYS A 109 -2.152 7.126 14.519 1.00 75.04 H new ATOM 0 HB3 LYS A 109 -1.382 7.673 13.043 1.00 75.04 H new ATOM 0 HG2 LYS A 109 0.156 7.956 14.902 1.00 31.24 H new ATOM 0 HG3 LYS A 109 -0.298 9.533 14.289 1.00 31.24 H new ATOM 0 HD2 LYS A 109 -0.304 9.561 16.738 1.00 34.15 H new ATOM 0 HD3 LYS A 109 -1.933 9.803 16.138 1.00 34.15 H new ATOM 0 HE2 LYS A 109 -1.941 8.229 18.026 1.00 75.42 H new ATOM 0 HE3 LYS A 109 -2.477 7.429 16.561 1.00 75.42 H new ATOM 0 HZ1 LYS A 109 -0.893 6.128 17.904 1.00 22.45 H new ATOM 0 HZ2 LYS A 109 -0.360 6.392 16.314 1.00 22.45 H new ATOM 0 HZ3 LYS A 109 0.305 7.290 17.592 1.00 22.45 H new ATOM 1594 N ASN A 110 -2.330 10.053 11.642 1.00 0.02 N ATOM 1595 CA ASN A 110 -1.815 11.178 10.828 1.00 65.42 C ATOM 1596 C ASN A 110 -2.915 11.967 10.134 1.00 64.30 C ATOM 1597 O ASN A 110 -2.670 13.064 9.642 1.00 54.54 O ATOM 1598 CB ASN A 110 -0.785 10.710 9.781 1.00 61.22 C ATOM 1599 CG ASN A 110 0.554 10.241 10.352 1.00 43.31 C ATOM 1600 OD1 ASN A 110 0.560 9.691 11.536 1.00 10.12 O flip ATOM 1601 ND2 ASN A 110 1.580 10.365 9.703 1.00 3.12 N flip ATOM 0 H ASN A 110 -2.493 9.193 11.118 1.00 0.02 H new ATOM 0 HA ASN A 110 -1.325 11.841 11.541 1.00 65.42 H new ATOM 0 HB2 ASN A 110 -1.222 9.895 9.204 1.00 61.22 H new ATOM 0 HB3 ASN A 110 -0.599 11.529 9.086 1.00 61.22 H new ATOM 0 HD21 ASN A 110 1.550 10.798 8.780 1.00 3.12 H new ATOM 0 HD22 ASN A 110 2.467 10.036 10.084 1.00 3.12 H new ATOM 1607 N GLY A 111 -4.101 11.412 10.070 1.00 51.13 N ATOM 1608 CA GLY A 111 -5.200 12.103 9.415 1.00 32.01 C ATOM 1609 C GLY A 111 -5.241 11.819 7.924 1.00 5.04 C ATOM 1610 O GLY A 111 -5.486 12.714 7.118 1.00 33.12 O ATOM 0 H GLY A 111 -4.335 10.497 10.456 1.00 51.13 H new ATOM 0 HA2 GLY A 111 -6.143 11.797 9.869 1.00 32.01 H new ATOM 0 HA3 GLY A 111 -5.102 13.176 9.577 1.00 32.01 H new ATOM 1614 N VAL A 112 -5.005 10.581 7.567 1.00 64.11 N ATOM 1615 CA VAL A 112 -5.002 10.149 6.180 1.00 72.20 C ATOM 1616 C VAL A 112 -6.199 9.225 5.948 1.00 45.30 C ATOM 1617 O VAL A 112 -6.332 8.211 6.617 1.00 13.03 O ATOM 1618 CB VAL A 112 -3.669 9.399 5.811 1.00 2.30 C ATOM 1619 CG1 VAL A 112 -3.688 8.925 4.365 1.00 73.24 C ATOM 1620 CG2 VAL A 112 -2.457 10.296 6.046 1.00 15.34 C ATOM 0 H VAL A 112 -4.807 9.834 8.232 1.00 64.11 H new ATOM 0 HA VAL A 112 -5.072 11.029 5.541 1.00 72.20 H new ATOM 0 HB VAL A 112 -3.593 8.527 6.461 1.00 2.30 H new ATOM 0 HG11 VAL A 112 -2.754 8.410 4.139 1.00 73.24 H new ATOM 0 HG12 VAL A 112 -4.524 8.242 4.217 1.00 73.24 H new ATOM 0 HG13 VAL A 112 -3.799 9.783 3.702 1.00 73.24 H new ATOM 0 HG21 VAL A 112 -1.548 9.755 5.784 1.00 15.34 H new ATOM 0 HG22 VAL A 112 -2.540 11.189 5.426 1.00 15.34 H new ATOM 0 HG23 VAL A 112 -2.417 10.586 7.096 1.00 15.34 H new ATOM 1626 N THR A 113 -7.078 9.592 5.037 1.00 11.44 N ATOM 1627 CA THR A 113 -8.242 8.771 4.739 1.00 11.32 C ATOM 1628 C THR A 113 -8.234 8.303 3.297 1.00 15.12 C ATOM 1629 O THR A 113 -9.215 7.729 2.819 1.00 55.31 O ATOM 1630 CB THR A 113 -9.569 9.521 5.021 1.00 54.33 C ATOM 1631 OG1 THR A 113 -9.609 10.756 4.285 1.00 44.42 O ATOM 1632 CG2 THR A 113 -9.737 9.798 6.501 1.00 13.02 C ATOM 0 H THR A 113 -7.012 10.450 4.490 1.00 11.44 H new ATOM 0 HA THR A 113 -8.182 7.906 5.399 1.00 11.32 H new ATOM 0 HB THR A 113 -10.391 8.882 4.697 1.00 54.33 H new ATOM 0 HG1 THR A 113 -10.452 11.220 4.470 1.00 44.42 H new ATOM 0 HG21 THR A 113 -10.676 10.325 6.668 1.00 13.02 H new ATOM 0 HG22 THR A 113 -9.747 8.856 7.049 1.00 13.02 H new ATOM 0 HG23 THR A 113 -8.909 10.413 6.852 1.00 13.02 H new ATOM 1638 N ASP A 114 -7.139 8.529 2.608 1.00 1.52 N ATOM 1639 CA ASP A 114 -7.040 8.154 1.206 1.00 64.21 C ATOM 1640 C ASP A 114 -5.747 7.405 0.994 1.00 74.43 C ATOM 1641 O ASP A 114 -4.661 7.946 1.240 1.00 23.34 O ATOM 1642 CB ASP A 114 -7.063 9.394 0.298 1.00 32.25 C ATOM 1643 CG ASP A 114 -8.249 10.292 0.519 1.00 53.25 C ATOM 1644 OD1 ASP A 114 -9.344 9.993 0.029 1.00 10.13 O ATOM 1645 OD2 ASP A 114 -8.096 11.323 1.214 1.00 51.24 O ATOM 0 H ASP A 114 -6.302 8.970 2.990 1.00 1.52 H new ATOM 0 HA ASP A 114 -7.894 7.527 0.949 1.00 64.21 H new ATOM 0 HB2 ASP A 114 -6.151 9.968 0.461 1.00 32.25 H new ATOM 0 HB3 ASP A 114 -7.055 9.070 -0.743 1.00 32.25 H new ATOM 1650 N LEU A 115 -5.843 6.177 0.566 1.00 40.31 N ATOM 1651 CA LEU A 115 -4.666 5.366 0.382 1.00 34.11 C ATOM 1652 C LEU A 115 -4.792 4.593 -0.940 1.00 61.55 C ATOM 1653 O LEU A 115 -5.807 3.959 -1.189 1.00 25.05 O ATOM 1654 CB LEU A 115 -4.550 4.408 1.605 1.00 74.05 C ATOM 1655 CG LEU A 115 -3.221 3.670 1.853 1.00 1.03 C ATOM 1656 CD1 LEU A 115 -3.295 2.920 3.172 1.00 4.14 C ATOM 1657 CD2 LEU A 115 -2.912 2.695 0.747 1.00 54.14 C ATOM 0 H LEU A 115 -6.722 5.714 0.337 1.00 40.31 H new ATOM 0 HA LEU A 115 -3.763 5.974 0.325 1.00 34.11 H new ATOM 0 HB2 LEU A 115 -4.776 4.988 2.500 1.00 74.05 H new ATOM 0 HB3 LEU A 115 -5.332 3.654 1.508 1.00 74.05 H new ATOM 0 HG LEU A 115 -2.426 4.415 1.883 1.00 1.03 H new ATOM 0 HD11 LEU A 115 -2.354 2.398 3.347 1.00 4.14 H new ATOM 0 HD12 LEU A 115 -3.474 3.626 3.983 1.00 4.14 H new ATOM 0 HD13 LEU A 115 -4.110 2.197 3.134 1.00 4.14 H new ATOM 0 HD21 LEU A 115 -1.967 2.194 0.957 1.00 54.14 H new ATOM 0 HD22 LEU A 115 -3.709 1.954 0.682 1.00 54.14 H new ATOM 0 HD23 LEU A 115 -2.836 3.230 -0.199 1.00 54.14 H new ATOM 1665 N SER A 116 -3.785 4.662 -1.773 1.00 13.53 N ATOM 1666 CA SER A 116 -3.769 3.917 -3.007 1.00 64.34 C ATOM 1667 C SER A 116 -2.725 2.811 -2.967 1.00 55.01 C ATOM 1668 O SER A 116 -1.602 3.004 -2.494 1.00 31.25 O ATOM 1669 CB SER A 116 -3.550 4.831 -4.203 1.00 74.41 C ATOM 1670 OG SER A 116 -4.602 5.770 -4.307 1.00 62.04 O ATOM 0 H SER A 116 -2.955 5.234 -1.616 1.00 13.53 H new ATOM 0 HA SER A 116 -4.747 3.450 -3.122 1.00 64.34 H new ATOM 0 HB2 SER A 116 -2.598 5.352 -4.101 1.00 74.41 H new ATOM 0 HB3 SER A 116 -3.492 4.238 -5.116 1.00 74.41 H new ATOM 0 HG SER A 116 -4.232 6.678 -4.298 1.00 62.04 H new ATOM 1676 N MET A 117 -3.101 1.665 -3.447 1.00 65.42 N ATOM 1677 CA MET A 117 -2.233 0.513 -3.462 1.00 32.13 C ATOM 1678 C MET A 117 -2.565 -0.303 -4.705 1.00 61.00 C ATOM 1679 O MET A 117 -3.580 -0.042 -5.342 1.00 44.30 O ATOM 1680 CB MET A 117 -2.447 -0.341 -2.179 1.00 22.40 C ATOM 1681 CG MET A 117 -3.831 -0.962 -2.062 1.00 53.41 C ATOM 1682 SD MET A 117 -4.054 -1.965 -0.572 1.00 64.31 S ATOM 1683 CE MET A 117 -3.806 -0.753 0.722 1.00 23.53 C ATOM 0 H MET A 117 -4.025 1.495 -3.844 1.00 65.42 H new ATOM 0 HA MET A 117 -1.189 0.825 -3.483 1.00 32.13 H new ATOM 0 HB2 MET A 117 -1.702 -1.136 -2.158 1.00 22.40 H new ATOM 0 HB3 MET A 117 -2.268 0.286 -1.306 1.00 22.40 H new ATOM 0 HG2 MET A 117 -4.578 -0.168 -2.070 1.00 53.41 H new ATOM 0 HG3 MET A 117 -4.016 -1.583 -2.938 1.00 53.41 H new ATOM 0 HE1 MET A 117 -4.053 -1.196 1.687 1.00 23.53 H new ATOM 0 HE2 MET A 117 -2.764 -0.432 0.725 1.00 23.53 H new ATOM 0 HE3 MET A 117 -4.450 0.108 0.542 1.00 23.53 H new ATOM 1693 N PRO A 118 -1.721 -1.252 -5.105 1.00 23.11 N ATOM 1694 CA PRO A 118 -2.021 -2.112 -6.221 1.00 34.31 C ATOM 1695 C PRO A 118 -2.699 -3.377 -5.723 1.00 44.41 C ATOM 1696 O PRO A 118 -3.146 -3.444 -4.571 1.00 41.13 O ATOM 1697 CB PRO A 118 -0.628 -2.447 -6.750 1.00 12.12 C ATOM 1698 CG PRO A 118 0.229 -2.505 -5.526 1.00 13.13 C ATOM 1699 CD PRO A 118 -0.400 -1.565 -4.518 1.00 22.43 C ATOM 0 HA PRO A 118 -2.683 -1.665 -6.963 1.00 34.31 H new ATOM 0 HB2 PRO A 118 -0.623 -3.397 -7.284 1.00 12.12 H new ATOM 0 HB3 PRO A 118 -0.274 -1.688 -7.447 1.00 12.12 H new ATOM 0 HG2 PRO A 118 0.276 -3.521 -5.133 1.00 13.13 H new ATOM 0 HG3 PRO A 118 1.251 -2.203 -5.753 1.00 13.13 H new ATOM 0 HD2 PRO A 118 -0.498 -2.035 -3.539 1.00 22.43 H new ATOM 0 HD3 PRO A 118 0.200 -0.666 -4.381 1.00 22.43 H new ATOM 1707 N ARG A 119 -2.780 -4.371 -6.563 1.00 13.11 N ATOM 1708 CA ARG A 119 -3.292 -5.635 -6.124 1.00 4.23 C ATOM 1709 C ARG A 119 -2.195 -6.365 -5.364 1.00 3.24 C ATOM 1710 O ARG A 119 -1.344 -7.017 -5.962 1.00 14.34 O ATOM 1711 CB ARG A 119 -3.787 -6.488 -7.292 1.00 61.43 C ATOM 1712 CG ARG A 119 -4.948 -5.890 -8.063 1.00 64.05 C ATOM 1713 CD ARG A 119 -5.388 -6.800 -9.201 1.00 23.34 C ATOM 1714 NE ARG A 119 -4.294 -7.069 -10.151 1.00 53.51 N ATOM 1715 CZ ARG A 119 -4.429 -7.121 -11.487 1.00 52.33 C ATOM 1716 NH1 ARG A 119 -5.622 -6.952 -12.055 1.00 25.23 N ATOM 1717 NH2 ARG A 119 -3.375 -7.358 -12.251 1.00 24.45 N ATOM 0 H ARG A 119 -2.501 -4.331 -7.543 1.00 13.11 H new ATOM 0 HA ARG A 119 -4.150 -5.458 -5.475 1.00 4.23 H new ATOM 0 HB2 ARG A 119 -2.958 -6.654 -7.980 1.00 61.43 H new ATOM 0 HB3 ARG A 119 -4.086 -7.464 -6.911 1.00 61.43 H new ATOM 0 HG2 ARG A 119 -5.786 -5.719 -7.387 1.00 64.05 H new ATOM 0 HG3 ARG A 119 -4.659 -4.918 -8.463 1.00 64.05 H new ATOM 0 HD2 ARG A 119 -5.751 -7.742 -8.791 1.00 23.34 H new ATOM 0 HD3 ARG A 119 -6.222 -6.340 -9.730 1.00 23.34 H new ATOM 0 HE ARG A 119 -3.363 -7.228 -9.765 1.00 53.51 H new ATOM 0 HH11 ARG A 119 -6.443 -6.781 -11.475 1.00 25.23 H new ATOM 0 HH12 ARG A 119 -5.714 -6.993 -13.070 1.00 25.23 H new ATOM 0 HH21 ARG A 119 -2.459 -7.501 -11.826 1.00 24.45 H new ATOM 0 HH22 ARG A 119 -3.479 -7.397 -13.265 1.00 24.45 H new ATOM 1729 N ILE A 120 -2.163 -6.179 -4.079 1.00 74.11 N ATOM 1730 CA ILE A 120 -1.178 -6.826 -3.251 1.00 31.43 C ATOM 1731 C ILE A 120 -1.633 -8.215 -2.882 1.00 32.33 C ATOM 1732 O ILE A 120 -2.743 -8.414 -2.413 1.00 15.45 O ATOM 1733 CB ILE A 120 -0.824 -5.999 -1.978 1.00 15.42 C ATOM 1734 CG1 ILE A 120 -2.089 -5.659 -1.155 1.00 44.43 C ATOM 1735 CG2 ILE A 120 -0.069 -4.736 -2.363 1.00 11.30 C ATOM 1736 CD1 ILE A 120 -1.817 -4.904 0.132 1.00 54.22 C ATOM 0 H ILE A 120 -2.813 -5.578 -3.572 1.00 74.11 H new ATOM 0 HA ILE A 120 -0.262 -6.896 -3.838 1.00 31.43 H new ATOM 0 HB ILE A 120 -0.179 -6.610 -1.346 1.00 15.42 H new ATOM 0 HG12 ILE A 120 -2.762 -5.066 -1.774 1.00 44.43 H new ATOM 0 HG13 ILE A 120 -2.611 -6.585 -0.915 1.00 44.43 H new ATOM 0 HG21 ILE A 120 0.172 -4.168 -1.464 1.00 11.30 H new ATOM 0 HG22 ILE A 120 0.852 -5.006 -2.880 1.00 11.30 H new ATOM 0 HG23 ILE A 120 -0.689 -4.128 -3.021 1.00 11.30 H new ATOM 0 HD11 ILE A 120 -2.759 -4.708 0.645 1.00 54.22 H new ATOM 0 HD12 ILE A 120 -1.172 -5.502 0.775 1.00 54.22 H new ATOM 0 HD13 ILE A 120 -1.325 -3.959 -0.098 1.00 54.22 H new ATOM 1743 N GLY A 121 -0.797 -9.167 -3.119 1.00 70.53 N ATOM 1744 CA GLY A 121 -1.154 -10.507 -2.825 1.00 23.23 C ATOM 1745 C GLY A 121 -1.645 -11.224 -4.045 1.00 60.03 C ATOM 1746 O GLY A 121 -2.694 -11.854 -4.010 1.00 30.54 O ATOM 0 H GLY A 121 0.135 -9.041 -3.514 1.00 70.53 H new ATOM 0 HA2 GLY A 121 -0.292 -11.033 -2.415 1.00 23.23 H new ATOM 0 HA3 GLY A 121 -1.929 -10.519 -2.058 1.00 23.23 H new ATOM 1750 N CYS A 122 -0.892 -11.127 -5.136 1.00 50.54 N ATOM 1751 CA CYS A 122 -1.277 -11.803 -6.360 1.00 51.14 C ATOM 1752 C CYS A 122 -0.077 -12.163 -7.246 1.00 53.31 C ATOM 1753 O CYS A 122 0.006 -13.280 -7.760 1.00 42.12 O ATOM 1754 CB CYS A 122 -2.311 -10.978 -7.157 1.00 34.12 C ATOM 1755 SG CYS A 122 -1.742 -9.343 -7.683 1.00 34.04 S ATOM 0 H CYS A 122 -0.024 -10.594 -5.194 1.00 50.54 H new ATOM 0 HA CYS A 122 -1.740 -12.741 -6.054 1.00 51.14 H new ATOM 0 HB2 CYS A 122 -2.604 -11.546 -8.040 1.00 34.12 H new ATOM 0 HB3 CYS A 122 -3.205 -10.856 -6.546 1.00 34.12 H new ATOM 0 HG CYS A 122 -1.783 -8.524 -6.674 1.00 34.04 H new ATOM 1761 N GLY A 123 0.866 -11.241 -7.396 1.00 12.24 N ATOM 1762 CA GLY A 123 1.961 -11.461 -8.327 1.00 15.51 C ATOM 1763 C GLY A 123 3.152 -12.122 -7.687 1.00 42.22 C ATOM 1764 O GLY A 123 3.231 -13.360 -7.607 1.00 32.31 O ATOM 0 H GLY A 123 0.895 -10.352 -6.896 1.00 12.24 H new ATOM 0 HA2 GLY A 123 1.610 -12.079 -9.153 1.00 15.51 H new ATOM 0 HA3 GLY A 123 2.267 -10.505 -8.752 1.00 15.51 H new ATOM 1768 N LEU A 124 4.065 -11.306 -7.202 1.00 71.03 N ATOM 1769 CA LEU A 124 5.287 -11.766 -6.540 1.00 21.44 C ATOM 1770 C LEU A 124 4.929 -12.366 -5.196 1.00 45.42 C ATOM 1771 O LEU A 124 5.706 -13.099 -4.587 1.00 2.03 O ATOM 1772 CB LEU A 124 6.235 -10.579 -6.315 1.00 62.34 C ATOM 1773 CG LEU A 124 6.667 -9.791 -7.555 1.00 61.13 C ATOM 1774 CD1 LEU A 124 7.546 -8.624 -7.152 1.00 50.01 C ATOM 1775 CD2 LEU A 124 7.400 -10.686 -8.541 1.00 63.51 C ATOM 0 H LEU A 124 3.986 -10.290 -7.253 1.00 71.03 H new ATOM 0 HA LEU A 124 5.776 -12.511 -7.167 1.00 21.44 H new ATOM 0 HB2 LEU A 124 5.753 -9.887 -5.624 1.00 62.34 H new ATOM 0 HB3 LEU A 124 7.132 -10.951 -5.820 1.00 62.34 H new ATOM 0 HG LEU A 124 5.772 -9.408 -8.045 1.00 61.13 H new ATOM 0 HD11 LEU A 124 7.847 -8.071 -8.042 1.00 50.01 H new ATOM 0 HD12 LEU A 124 6.991 -7.964 -6.485 1.00 50.01 H new ATOM 0 HD13 LEU A 124 8.433 -8.996 -6.639 1.00 50.01 H new ATOM 0 HD21 LEU A 124 7.696 -10.102 -9.412 1.00 63.51 H new ATOM 0 HD22 LEU A 124 8.288 -11.102 -8.065 1.00 63.51 H new ATOM 0 HD23 LEU A 124 6.743 -11.497 -8.854 1.00 63.51 H new ATOM 1783 N ASP A 125 3.743 -12.035 -4.761 1.00 71.13 N ATOM 1784 CA ASP A 125 3.211 -12.440 -3.481 1.00 44.30 C ATOM 1785 C ASP A 125 2.788 -13.898 -3.549 1.00 11.10 C ATOM 1786 O ASP A 125 2.787 -14.602 -2.557 1.00 55.04 O ATOM 1787 CB ASP A 125 1.973 -11.625 -3.185 1.00 55.52 C ATOM 1788 CG ASP A 125 2.084 -10.178 -3.616 1.00 21.33 C ATOM 1789 OD1 ASP A 125 2.648 -9.362 -2.892 1.00 25.05 O ATOM 1790 OD2 ASP A 125 1.553 -9.858 -4.723 1.00 14.25 O ATOM 0 H ASP A 125 3.098 -11.459 -5.302 1.00 71.13 H new ATOM 0 HA ASP A 125 3.972 -12.294 -2.714 1.00 44.30 H new ATOM 0 HB2 ASP A 125 1.119 -12.081 -3.687 1.00 55.52 H new ATOM 0 HB3 ASP A 125 1.771 -11.662 -2.115 1.00 55.52 H new ATOM 1795 N ARG A 126 2.386 -14.325 -4.757 1.00 35.11 N ATOM 1796 CA ARG A 126 1.940 -15.703 -5.045 1.00 62.42 C ATOM 1797 C ARG A 126 0.584 -16.042 -4.416 1.00 54.32 C ATOM 1798 O ARG A 126 0.088 -17.159 -4.555 1.00 12.44 O ATOM 1799 CB ARG A 126 2.984 -16.723 -4.624 1.00 32.25 C ATOM 1800 CG ARG A 126 4.315 -16.494 -5.278 1.00 30.44 C ATOM 1801 CD ARG A 126 5.276 -17.549 -4.883 1.00 15.24 C ATOM 1802 NE ARG A 126 6.626 -17.267 -5.395 1.00 51.13 N ATOM 1803 CZ ARG A 126 7.663 -18.110 -5.369 1.00 41.42 C ATOM 1804 NH1 ARG A 126 7.526 -19.330 -4.868 1.00 14.22 N ATOM 1805 NH2 ARG A 126 8.843 -17.716 -5.848 1.00 70.44 N ATOM 0 H ARG A 126 2.360 -13.716 -5.575 1.00 35.11 H new ATOM 0 HA ARG A 126 1.812 -15.753 -6.126 1.00 62.42 H new ATOM 0 HB2 ARG A 126 3.105 -16.687 -3.541 1.00 32.25 H new ATOM 0 HB3 ARG A 126 2.629 -17.723 -4.872 1.00 32.25 H new ATOM 0 HG2 ARG A 126 4.198 -16.488 -6.362 1.00 30.44 H new ATOM 0 HG3 ARG A 126 4.703 -15.516 -4.994 1.00 30.44 H new ATOM 0 HD2 ARG A 126 5.307 -17.626 -3.796 1.00 15.24 H new ATOM 0 HD3 ARG A 126 4.936 -18.513 -5.262 1.00 15.24 H new ATOM 0 HE ARG A 126 6.785 -16.347 -5.806 1.00 51.13 H new ATOM 0 HH11 ARG A 126 6.624 -19.631 -4.499 1.00 14.22 H new ATOM 0 HH12 ARG A 126 8.322 -19.967 -4.852 1.00 14.22 H new ATOM 0 HH21 ARG A 126 8.950 -16.777 -6.231 1.00 70.44 H new ATOM 0 HH22 ARG A 126 9.639 -18.354 -5.831 1.00 70.44 H new ATOM 1817 N LEU A 127 -0.018 -15.083 -3.756 1.00 72.02 N ATOM 1818 CA LEU A 127 -1.275 -15.302 -3.053 1.00 71.30 C ATOM 1819 C LEU A 127 -2.470 -14.970 -3.930 1.00 54.50 C ATOM 1820 O LEU A 127 -2.313 -14.540 -5.073 1.00 52.34 O ATOM 1821 CB LEU A 127 -1.323 -14.453 -1.781 1.00 40.41 C ATOM 1822 CG LEU A 127 -0.225 -14.710 -0.754 1.00 61.14 C ATOM 1823 CD1 LEU A 127 -0.395 -13.791 0.443 1.00 62.40 C ATOM 1824 CD2 LEU A 127 -0.230 -16.167 -0.316 1.00 44.14 C ATOM 0 H LEU A 127 0.341 -14.131 -3.686 1.00 72.02 H new ATOM 0 HA LEU A 127 -1.326 -16.359 -2.791 1.00 71.30 H new ATOM 0 HB2 LEU A 127 -1.282 -13.403 -2.069 1.00 40.41 H new ATOM 0 HB3 LEU A 127 -2.287 -14.614 -1.299 1.00 40.41 H new ATOM 0 HG LEU A 127 0.738 -14.498 -1.218 1.00 61.14 H new ATOM 0 HD11 LEU A 127 0.396 -13.986 1.167 1.00 62.40 H new ATOM 0 HD12 LEU A 127 -0.339 -12.753 0.116 1.00 62.40 H new ATOM 0 HD13 LEU A 127 -1.364 -13.973 0.907 1.00 62.40 H new ATOM 0 HD21 LEU A 127 0.561 -16.329 0.417 1.00 44.14 H new ATOM 0 HD22 LEU A 127 -1.194 -16.409 0.131 1.00 44.14 H new ATOM 0 HD23 LEU A 127 -0.060 -16.808 -1.181 1.00 44.14 H new ATOM 1832 N GLN A 128 -3.659 -15.210 -3.403 1.00 33.20 N ATOM 1833 CA GLN A 128 -4.891 -14.866 -4.083 1.00 41.15 C ATOM 1834 C GLN A 128 -5.443 -13.550 -3.555 1.00 40.03 C ATOM 1835 O GLN A 128 -5.718 -13.418 -2.342 1.00 42.22 O ATOM 1836 CB GLN A 128 -5.968 -15.953 -3.933 1.00 13.01 C ATOM 1837 CG GLN A 128 -5.701 -17.282 -4.629 1.00 75.35 C ATOM 1838 CD GLN A 128 -4.510 -18.067 -4.090 1.00 61.55 C ATOM 1839 OE1 GLN A 128 -4.161 -17.984 -2.898 1.00 71.11 O ATOM 1840 NE2 GLN A 128 -3.888 -18.831 -4.949 1.00 70.42 N ATOM 0 H GLN A 128 -3.795 -15.649 -2.492 1.00 33.20 H new ATOM 0 HA GLN A 128 -4.645 -14.774 -5.141 1.00 41.15 H new ATOM 0 HB2 GLN A 128 -6.109 -16.148 -2.870 1.00 13.01 H new ATOM 0 HB3 GLN A 128 -6.909 -15.554 -4.311 1.00 13.01 H new ATOM 0 HG2 GLN A 128 -6.593 -17.903 -4.547 1.00 75.35 H new ATOM 0 HG3 GLN A 128 -5.541 -17.093 -5.690 1.00 75.35 H new ATOM 0 HE21 GLN A 128 -4.205 -18.872 -5.918 1.00 70.42 H new ATOM 0 HE22 GLN A 128 -3.086 -19.386 -4.651 1.00 70.42 H new ATOM 1848 N TRP A 129 -5.628 -12.604 -4.452 1.00 1.21 N ATOM 1849 CA TRP A 129 -6.174 -11.285 -4.139 1.00 61.24 C ATOM 1850 C TRP A 129 -7.590 -11.356 -3.610 1.00 54.14 C ATOM 1851 O TRP A 129 -7.996 -10.497 -2.842 1.00 21.01 O ATOM 1852 CB TRP A 129 -6.038 -10.342 -5.361 1.00 40.24 C ATOM 1853 CG TRP A 129 -6.778 -9.036 -5.252 1.00 63.03 C ATOM 1854 CD1 TRP A 129 -7.953 -8.727 -5.862 1.00 23.43 C ATOM 1855 CD2 TRP A 129 -6.412 -7.877 -4.489 1.00 4.24 C ATOM 1856 NE1 TRP A 129 -8.338 -7.462 -5.535 1.00 54.21 N ATOM 1857 CE2 TRP A 129 -7.411 -6.915 -4.697 1.00 3.42 C ATOM 1858 CE3 TRP A 129 -5.348 -7.561 -3.659 1.00 5.14 C ATOM 1859 CZ2 TRP A 129 -7.377 -5.660 -4.102 1.00 73.32 C ATOM 1860 CZ3 TRP A 129 -5.312 -6.314 -3.068 1.00 13.11 C ATOM 1861 CH2 TRP A 129 -6.320 -5.378 -3.293 1.00 64.11 C ATOM 0 H TRP A 129 -5.401 -12.725 -5.439 1.00 1.21 H new ATOM 0 HA TRP A 129 -5.584 -10.861 -3.326 1.00 61.24 H new ATOM 0 HB2 TRP A 129 -4.981 -10.129 -5.519 1.00 40.24 H new ATOM 0 HB3 TRP A 129 -6.393 -10.869 -6.247 1.00 40.24 H new ATOM 0 HD1 TRP A 129 -8.503 -9.390 -6.513 1.00 23.43 H new ATOM 0 HE1 TRP A 129 -9.184 -6.998 -5.864 1.00 54.21 H new ATOM 0 HE3 TRP A 129 -4.561 -8.278 -3.478 1.00 5.14 H new ATOM 0 HZ2 TRP A 129 -8.160 -4.936 -4.275 1.00 73.32 H new ATOM 0 HZ3 TRP A 129 -4.487 -6.059 -2.419 1.00 13.11 H new ATOM 0 HH2 TRP A 129 -6.261 -4.411 -2.816 1.00 64.11 H new ATOM 1872 N GLU A 130 -8.317 -12.391 -3.993 1.00 42.21 N ATOM 1873 CA GLU A 130 -9.679 -12.609 -3.521 1.00 11.23 C ATOM 1874 C GLU A 130 -9.708 -12.547 -1.984 1.00 25.01 C ATOM 1875 O GLU A 130 -10.514 -11.836 -1.386 1.00 24.25 O ATOM 1876 CB GLU A 130 -10.154 -13.990 -3.986 1.00 30.04 C ATOM 1877 CG GLU A 130 -11.604 -14.308 -3.667 1.00 71.12 C ATOM 1878 CD GLU A 130 -12.569 -13.395 -4.380 1.00 74.30 C ATOM 1879 OE1 GLU A 130 -12.949 -13.703 -5.524 1.00 44.41 O ATOM 1880 OE2 GLU A 130 -12.971 -12.365 -3.804 1.00 64.31 O ATOM 0 H GLU A 130 -7.983 -13.105 -4.640 1.00 42.21 H new ATOM 0 HA GLU A 130 -10.335 -11.838 -3.924 1.00 11.23 H new ATOM 0 HB2 GLU A 130 -10.010 -14.064 -5.064 1.00 30.04 H new ATOM 0 HB3 GLU A 130 -9.521 -14.749 -3.527 1.00 30.04 H new ATOM 0 HG2 GLU A 130 -11.815 -15.341 -3.944 1.00 71.12 H new ATOM 0 HG3 GLU A 130 -11.761 -14.228 -2.591 1.00 71.12 H new ATOM 1887 N ASN A 131 -8.781 -13.260 -1.370 1.00 2.34 N ATOM 1888 CA ASN A 131 -8.712 -13.333 0.089 1.00 22.15 C ATOM 1889 C ASN A 131 -8.143 -12.055 0.677 1.00 24.13 C ATOM 1890 O ASN A 131 -8.609 -11.582 1.713 1.00 73.51 O ATOM 1891 CB ASN A 131 -7.846 -14.502 0.543 1.00 61.14 C ATOM 1892 CG ASN A 131 -8.253 -15.808 -0.065 1.00 5.23 C ATOM 1893 OD1 ASN A 131 -7.633 -16.136 -1.172 1.00 52.41 O flip ATOM 1894 ND2 ASN A 131 -9.103 -16.526 0.463 1.00 44.03 N flip ATOM 0 H ASN A 131 -8.063 -13.799 -1.854 1.00 2.34 H new ATOM 0 HA ASN A 131 -9.732 -13.475 0.445 1.00 22.15 H new ATOM 0 HB2 ASN A 131 -6.807 -14.297 0.286 1.00 61.14 H new ATOM 0 HB3 ASN A 131 -7.896 -14.583 1.629 1.00 61.14 H new ATOM 0 HD21 ASN A 131 -9.559 -16.227 1.325 1.00 44.03 H new ATOM 0 HD22 ASN A 131 -9.351 -17.419 0.038 1.00 44.03 H new ATOM 1900 N VAL A 132 -7.132 -11.496 0.011 1.00 61.33 N ATOM 1901 CA VAL A 132 -6.450 -10.296 0.505 1.00 41.34 C ATOM 1902 C VAL A 132 -7.388 -9.105 0.490 1.00 12.45 C ATOM 1903 O VAL A 132 -7.521 -8.407 1.481 1.00 13.32 O ATOM 1904 CB VAL A 132 -5.186 -9.958 -0.320 1.00 24.45 C ATOM 1905 CG1 VAL A 132 -4.456 -8.756 0.272 1.00 13.52 C ATOM 1906 CG2 VAL A 132 -4.261 -11.153 -0.400 1.00 30.15 C ATOM 0 H VAL A 132 -6.766 -11.854 -0.872 1.00 61.33 H new ATOM 0 HA VAL A 132 -6.140 -10.512 1.528 1.00 41.34 H new ATOM 0 HB VAL A 132 -5.503 -9.701 -1.331 1.00 24.45 H new ATOM 0 HG11 VAL A 132 -3.571 -8.538 -0.325 1.00 13.52 H new ATOM 0 HG12 VAL A 132 -5.118 -7.890 0.269 1.00 13.52 H new ATOM 0 HG13 VAL A 132 -4.157 -8.980 1.296 1.00 13.52 H new ATOM 0 HG21 VAL A 132 -3.379 -10.892 -0.985 1.00 30.15 H new ATOM 0 HG22 VAL A 132 -3.957 -11.445 0.605 1.00 30.15 H new ATOM 0 HG23 VAL A 132 -4.780 -11.984 -0.878 1.00 30.15 H new ATOM 1912 N SER A 133 -8.046 -8.908 -0.630 1.00 0.22 N ATOM 1913 CA SER A 133 -9.004 -7.840 -0.804 1.00 4.43 C ATOM 1914 C SER A 133 -10.100 -7.920 0.267 1.00 23.12 C ATOM 1915 O SER A 133 -10.442 -6.908 0.904 1.00 64.14 O ATOM 1916 CB SER A 133 -9.583 -7.919 -2.226 1.00 13.42 C ATOM 1917 OG SER A 133 -10.626 -6.990 -2.444 1.00 21.31 O ATOM 0 H SER A 133 -7.929 -9.493 -1.457 1.00 0.22 H new ATOM 0 HA SER A 133 -8.513 -6.874 -0.682 1.00 4.43 H new ATOM 0 HB2 SER A 133 -8.786 -7.741 -2.948 1.00 13.42 H new ATOM 0 HB3 SER A 133 -9.957 -8.927 -2.406 1.00 13.42 H new ATOM 0 HG SER A 133 -10.781 -6.893 -3.407 1.00 21.31 H new ATOM 1923 N ALA A 134 -10.608 -9.134 0.498 1.00 20.01 N ATOM 1924 CA ALA A 134 -11.619 -9.358 1.517 1.00 4.45 C ATOM 1925 C ALA A 134 -11.075 -9.007 2.903 1.00 23.15 C ATOM 1926 O ALA A 134 -11.792 -8.449 3.731 1.00 63.13 O ATOM 1927 CB ALA A 134 -12.102 -10.799 1.482 1.00 20.33 C ATOM 0 H ALA A 134 -10.331 -9.973 -0.011 1.00 20.01 H new ATOM 0 HA ALA A 134 -12.467 -8.706 1.307 1.00 4.45 H new ATOM 0 HB1 ALA A 134 -12.859 -10.948 2.252 1.00 20.33 H new ATOM 0 HB2 ALA A 134 -12.532 -11.015 0.504 1.00 20.33 H new ATOM 0 HB3 ALA A 134 -11.262 -11.469 1.665 1.00 20.33 H new ATOM 1933 N MET A 135 -9.794 -9.320 3.129 1.00 64.55 N ATOM 1934 CA MET A 135 -9.117 -9.024 4.401 1.00 4.02 C ATOM 1935 C MET A 135 -9.006 -7.523 4.604 1.00 62.45 C ATOM 1936 O MET A 135 -9.313 -7.015 5.670 1.00 35.12 O ATOM 1937 CB MET A 135 -7.697 -9.603 4.425 1.00 64.24 C ATOM 1938 CG MET A 135 -6.961 -9.344 5.741 1.00 12.43 C ATOM 1939 SD MET A 135 -5.201 -9.736 5.667 1.00 15.32 S ATOM 1940 CE MET A 135 -5.233 -11.450 5.238 1.00 31.35 C ATOM 0 H MET A 135 -9.199 -9.783 2.442 1.00 64.55 H new ATOM 0 HA MET A 135 -9.713 -9.477 5.193 1.00 4.02 H new ATOM 0 HB2 MET A 135 -7.747 -10.678 4.250 1.00 64.24 H new ATOM 0 HB3 MET A 135 -7.123 -9.173 3.605 1.00 64.24 H new ATOM 0 HG2 MET A 135 -7.081 -8.296 6.016 1.00 12.43 H new ATOM 0 HG3 MET A 135 -7.425 -9.936 6.530 1.00 12.43 H new ATOM 0 HE1 MET A 135 -4.214 -11.807 5.089 1.00 31.35 H new ATOM 0 HE2 MET A 135 -5.702 -12.018 6.042 1.00 31.35 H new ATOM 0 HE3 MET A 135 -5.803 -11.584 4.318 1.00 31.35 H new ATOM 1950 N ILE A 136 -8.558 -6.828 3.569 1.00 52.54 N ATOM 1951 CA ILE A 136 -8.366 -5.396 3.617 1.00 31.33 C ATOM 1952 C ILE A 136 -9.670 -4.690 3.984 1.00 5.51 C ATOM 1953 O ILE A 136 -9.709 -3.904 4.928 1.00 61.15 O ATOM 1954 CB ILE A 136 -7.828 -4.859 2.266 1.00 24.51 C ATOM 1955 CG1 ILE A 136 -6.488 -5.522 1.915 1.00 15.32 C ATOM 1956 CG2 ILE A 136 -7.668 -3.347 2.317 1.00 21.11 C ATOM 1957 CD1 ILE A 136 -5.931 -5.128 0.560 1.00 71.05 C ATOM 0 H ILE A 136 -8.318 -7.248 2.671 1.00 52.54 H new ATOM 0 HA ILE A 136 -7.625 -5.185 4.388 1.00 31.33 H new ATOM 0 HB ILE A 136 -8.552 -5.107 1.490 1.00 24.51 H new ATOM 0 HG12 ILE A 136 -5.758 -5.267 2.683 1.00 15.32 H new ATOM 0 HG13 ILE A 136 -6.614 -6.604 1.942 1.00 15.32 H new ATOM 0 HG21 ILE A 136 -7.289 -2.989 1.360 1.00 21.11 H new ATOM 0 HG22 ILE A 136 -8.634 -2.886 2.521 1.00 21.11 H new ATOM 0 HG23 ILE A 136 -6.966 -3.082 3.107 1.00 21.11 H new ATOM 0 HD11 ILE A 136 -4.984 -5.641 0.393 1.00 71.05 H new ATOM 0 HD12 ILE A 136 -6.639 -5.409 -0.220 1.00 71.05 H new ATOM 0 HD13 ILE A 136 -5.769 -4.050 0.532 1.00 71.05 H new ATOM 1964 N GLU A 137 -10.743 -5.003 3.272 1.00 23.43 N ATOM 1965 CA GLU A 137 -12.022 -4.379 3.559 1.00 23.45 C ATOM 1966 C GLU A 137 -12.560 -4.801 4.926 1.00 31.33 C ATOM 1967 O GLU A 137 -13.261 -4.050 5.569 1.00 62.33 O ATOM 1968 CB GLU A 137 -13.043 -4.586 2.439 1.00 64.24 C ATOM 1969 CG GLU A 137 -12.555 -4.055 1.102 1.00 32.01 C ATOM 1970 CD GLU A 137 -13.623 -3.995 0.043 1.00 61.52 C ATOM 1971 OE1 GLU A 137 -13.990 -5.035 -0.518 1.00 13.54 O ATOM 1972 OE2 GLU A 137 -14.120 -2.880 -0.234 1.00 22.41 O ATOM 0 H GLU A 137 -10.753 -5.674 2.504 1.00 23.43 H new ATOM 0 HA GLU A 137 -11.845 -3.304 3.604 1.00 23.45 H new ATOM 0 HB2 GLU A 137 -13.264 -5.649 2.345 1.00 64.24 H new ATOM 0 HB3 GLU A 137 -13.976 -4.089 2.705 1.00 64.24 H new ATOM 0 HG2 GLU A 137 -12.144 -3.056 1.247 1.00 32.01 H new ATOM 0 HG3 GLU A 137 -11.740 -4.686 0.747 1.00 32.01 H new ATOM 1979 N GLU A 138 -12.201 -6.005 5.357 1.00 1.52 N ATOM 1980 CA GLU A 138 -12.564 -6.525 6.654 1.00 43.22 C ATOM 1981 C GLU A 138 -11.924 -5.683 7.771 1.00 60.41 C ATOM 1982 O GLU A 138 -12.545 -5.416 8.797 1.00 54.34 O ATOM 1983 CB GLU A 138 -12.089 -7.976 6.742 1.00 5.24 C ATOM 1984 CG GLU A 138 -12.401 -8.663 8.028 1.00 61.42 C ATOM 1985 CD GLU A 138 -11.910 -10.085 8.052 1.00 25.43 C ATOM 1986 OE1 GLU A 138 -10.701 -10.306 8.279 1.00 31.12 O ATOM 1987 OE2 GLU A 138 -12.728 -11.007 7.872 1.00 23.23 O ATOM 0 H GLU A 138 -11.641 -6.651 4.801 1.00 1.52 H new ATOM 0 HA GLU A 138 -13.646 -6.479 6.781 1.00 43.22 H new ATOM 0 HB2 GLU A 138 -12.541 -8.541 5.927 1.00 5.24 H new ATOM 0 HB3 GLU A 138 -11.010 -8.000 6.587 1.00 5.24 H new ATOM 0 HG2 GLU A 138 -11.947 -8.111 8.851 1.00 61.42 H new ATOM 0 HG3 GLU A 138 -13.479 -8.651 8.191 1.00 61.42 H new ATOM 1994 N VAL A 139 -10.680 -5.300 7.564 1.00 43.50 N ATOM 1995 CA VAL A 139 -9.937 -4.479 8.515 1.00 45.15 C ATOM 1996 C VAL A 139 -10.402 -3.004 8.473 1.00 32.42 C ATOM 1997 O VAL A 139 -10.526 -2.338 9.508 1.00 14.34 O ATOM 1998 CB VAL A 139 -8.396 -4.556 8.238 1.00 11.13 C ATOM 1999 CG1 VAL A 139 -7.612 -3.679 9.198 1.00 53.40 C ATOM 2000 CG2 VAL A 139 -7.894 -5.988 8.324 1.00 0.13 C ATOM 0 H VAL A 139 -10.149 -5.548 6.729 1.00 43.50 H new ATOM 0 HA VAL A 139 -10.139 -4.876 9.510 1.00 45.15 H new ATOM 0 HB VAL A 139 -8.236 -4.187 7.225 1.00 11.13 H new ATOM 0 HG11 VAL A 139 -6.548 -3.758 8.976 1.00 53.40 H new ATOM 0 HG12 VAL A 139 -7.930 -2.642 9.087 1.00 53.40 H new ATOM 0 HG13 VAL A 139 -7.794 -4.006 10.222 1.00 53.40 H new ATOM 0 HG21 VAL A 139 -6.822 -6.010 8.127 1.00 0.13 H new ATOM 0 HG22 VAL A 139 -8.088 -6.382 9.321 1.00 0.13 H new ATOM 0 HG23 VAL A 139 -8.411 -6.600 7.585 1.00 0.13 H new ATOM 2006 N PHE A 140 -10.665 -2.512 7.283 1.00 33.32 N ATOM 2007 CA PHE A 140 -10.987 -1.102 7.099 1.00 42.44 C ATOM 2008 C PHE A 140 -12.485 -0.787 7.055 1.00 41.40 C ATOM 2009 O PHE A 140 -12.851 0.345 6.794 1.00 63.05 O ATOM 2010 CB PHE A 140 -10.289 -0.539 5.845 1.00 1.12 C ATOM 2011 CG PHE A 140 -8.780 -0.440 5.948 1.00 70.12 C ATOM 2012 CD1 PHE A 140 -7.972 -1.535 5.696 1.00 5.04 C ATOM 2013 CD2 PHE A 140 -8.179 0.758 6.291 1.00 41.34 C ATOM 2014 CE1 PHE A 140 -6.598 -1.441 5.787 1.00 64.31 C ATOM 2015 CE2 PHE A 140 -6.805 0.862 6.380 1.00 73.21 C ATOM 2016 CZ PHE A 140 -6.013 -0.241 6.128 1.00 42.20 C ATOM 0 H PHE A 140 -10.664 -3.062 6.424 1.00 33.32 H new ATOM 0 HA PHE A 140 -10.607 -0.607 7.993 1.00 42.44 H new ATOM 0 HB2 PHE A 140 -10.540 -1.170 4.992 1.00 1.12 H new ATOM 0 HB3 PHE A 140 -10.691 0.453 5.637 1.00 1.12 H new ATOM 0 HD1 PHE A 140 -8.424 -2.478 5.424 1.00 5.04 H new ATOM 0 HD2 PHE A 140 -8.793 1.624 6.492 1.00 41.34 H new ATOM 0 HE1 PHE A 140 -5.982 -2.307 5.591 1.00 64.31 H new ATOM 0 HE2 PHE A 140 -6.350 1.805 6.646 1.00 73.21 H new ATOM 0 HZ PHE A 140 -4.938 -0.163 6.198 1.00 42.20 H new ATOM 2026 N GLU A 141 -13.348 -1.749 7.341 1.00 60.34 N ATOM 2027 CA GLU A 141 -14.799 -1.490 7.277 1.00 25.23 C ATOM 2028 C GLU A 141 -15.297 -0.474 8.302 1.00 24.35 C ATOM 2029 O GLU A 141 -16.230 0.290 8.035 1.00 35.21 O ATOM 2030 CB GLU A 141 -15.649 -2.790 7.232 1.00 31.03 C ATOM 2031 CG GLU A 141 -15.373 -3.841 8.323 1.00 54.00 C ATOM 2032 CD GLU A 141 -15.694 -3.406 9.725 1.00 12.04 C ATOM 2033 OE1 GLU A 141 -16.882 -3.448 10.119 1.00 43.33 O ATOM 2034 OE2 GLU A 141 -14.774 -3.050 10.454 1.00 11.14 O ATOM 0 H GLU A 141 -13.090 -2.697 7.614 1.00 60.34 H new ATOM 0 HA GLU A 141 -14.954 -1.003 6.314 1.00 25.23 H new ATOM 0 HB2 GLU A 141 -16.701 -2.510 7.289 1.00 31.03 H new ATOM 0 HB3 GLU A 141 -15.497 -3.261 6.261 1.00 31.03 H new ATOM 0 HG2 GLU A 141 -15.951 -4.737 8.096 1.00 54.00 H new ATOM 0 HG3 GLU A 141 -14.320 -4.120 8.278 1.00 54.00 H new ATOM 2041 N ALA A 142 -14.655 -0.444 9.436 1.00 51.35 N ATOM 2042 CA ALA A 142 -15.024 0.454 10.518 1.00 34.24 C ATOM 2043 C ALA A 142 -14.416 1.839 10.331 1.00 11.52 C ATOM 2044 O ALA A 142 -14.655 2.756 11.128 1.00 22.14 O ATOM 2045 CB ALA A 142 -14.607 -0.144 11.849 1.00 0.31 C ATOM 0 H ALA A 142 -13.855 -1.041 9.647 1.00 51.35 H new ATOM 0 HA ALA A 142 -16.107 0.574 10.506 1.00 34.24 H new ATOM 0 HB1 ALA A 142 -14.886 0.534 12.656 1.00 0.31 H new ATOM 0 HB2 ALA A 142 -15.107 -1.102 11.990 1.00 0.31 H new ATOM 0 HB3 ALA A 142 -13.527 -0.294 11.858 1.00 0.31 H new ATOM 2051 N THR A 143 -13.641 1.993 9.290 1.00 14.25 N ATOM 2052 CA THR A 143 -13.022 3.253 8.980 1.00 50.30 C ATOM 2053 C THR A 143 -13.526 3.729 7.632 1.00 2.32 C ATOM 2054 O THR A 143 -13.859 2.922 6.800 1.00 5.41 O ATOM 2055 CB THR A 143 -11.481 3.122 8.948 1.00 31.30 C ATOM 2056 OG1 THR A 143 -11.095 2.083 8.039 1.00 34.33 O ATOM 2057 CG2 THR A 143 -10.927 2.808 10.327 1.00 4.41 C ATOM 0 H THR A 143 -13.421 1.245 8.632 1.00 14.25 H new ATOM 0 HA THR A 143 -13.282 3.975 9.754 1.00 50.30 H new ATOM 0 HB THR A 143 -11.073 4.077 8.616 1.00 31.30 H new ATOM 0 HG1 THR A 143 -11.894 1.709 7.612 1.00 34.33 H new ATOM 0 HG21 THR A 143 -9.842 2.722 10.272 1.00 4.41 H new ATOM 0 HG22 THR A 143 -11.193 3.609 11.017 1.00 4.41 H new ATOM 0 HG23 THR A 143 -11.348 1.868 10.683 1.00 4.41 H new ATOM 2063 N ASP A 144 -13.566 5.020 7.413 1.00 71.23 N ATOM 2064 CA ASP A 144 -14.074 5.556 6.144 1.00 62.31 C ATOM 2065 C ASP A 144 -12.913 5.861 5.193 1.00 63.31 C ATOM 2066 O ASP A 144 -13.035 6.596 4.220 1.00 64.21 O ATOM 2067 CB ASP A 144 -14.998 6.768 6.369 1.00 4.54 C ATOM 2068 CG ASP A 144 -15.646 7.271 5.081 1.00 23.15 C ATOM 2069 OD1 ASP A 144 -16.382 6.491 4.414 1.00 44.30 O ATOM 2070 OD2 ASP A 144 -15.403 8.440 4.700 1.00 13.34 O ATOM 0 H ASP A 144 -13.259 5.726 8.082 1.00 71.23 H new ATOM 0 HA ASP A 144 -14.692 4.795 5.667 1.00 62.31 H new ATOM 0 HB2 ASP A 144 -15.778 6.496 7.080 1.00 4.54 H new ATOM 0 HB3 ASP A 144 -14.424 7.577 6.820 1.00 4.54 H new ATOM 2075 N ILE A 145 -11.782 5.294 5.507 1.00 61.12 N ATOM 2076 CA ILE A 145 -10.594 5.398 4.689 1.00 30.54 C ATOM 2077 C ILE A 145 -10.841 4.705 3.345 1.00 71.34 C ATOM 2078 O ILE A 145 -11.225 3.532 3.306 1.00 3.14 O ATOM 2079 CB ILE A 145 -9.406 4.710 5.403 1.00 50.33 C ATOM 2080 CG1 ILE A 145 -9.179 5.363 6.765 1.00 64.30 C ATOM 2081 CG2 ILE A 145 -8.129 4.772 4.547 1.00 63.51 C ATOM 2082 CD1 ILE A 145 -8.141 4.674 7.612 1.00 65.14 C ATOM 0 H ILE A 145 -11.652 4.736 6.351 1.00 61.12 H new ATOM 0 HA ILE A 145 -10.361 6.450 4.526 1.00 30.54 H new ATOM 0 HB ILE A 145 -9.649 3.657 5.548 1.00 50.33 H new ATOM 0 HG12 ILE A 145 -8.879 6.400 6.613 1.00 64.30 H new ATOM 0 HG13 ILE A 145 -10.123 5.381 7.309 1.00 64.30 H new ATOM 0 HG21 ILE A 145 -7.312 4.280 5.076 1.00 63.51 H new ATOM 0 HG22 ILE A 145 -8.303 4.266 3.597 1.00 63.51 H new ATOM 0 HG23 ILE A 145 -7.866 5.813 4.361 1.00 63.51 H new ATOM 0 HD11 ILE A 145 -8.040 5.199 8.562 1.00 65.14 H new ATOM 0 HD12 ILE A 145 -8.447 3.644 7.797 1.00 65.14 H new ATOM 0 HD13 ILE A 145 -7.184 4.679 7.091 1.00 65.14 H new ATOM 2089 N LYS A 146 -10.653 5.427 2.272 1.00 72.40 N ATOM 2090 CA LYS A 146 -10.813 4.848 0.952 1.00 24.01 C ATOM 2091 C LYS A 146 -9.515 4.351 0.410 1.00 24.35 C ATOM 2092 O LYS A 146 -8.542 5.110 0.271 1.00 72.22 O ATOM 2093 CB LYS A 146 -11.489 5.781 -0.088 1.00 40.04 C ATOM 2094 CG LYS A 146 -13.015 5.879 -0.010 1.00 72.43 C ATOM 2095 CD LYS A 146 -13.523 6.558 1.241 1.00 61.24 C ATOM 2096 CE LYS A 146 -13.153 8.027 1.274 1.00 23.15 C ATOM 2097 NZ LYS A 146 -13.707 8.701 2.462 1.00 43.10 N ATOM 0 H LYS A 146 -10.390 6.413 2.279 1.00 72.40 H new ATOM 0 HA LYS A 146 -11.495 4.012 1.106 1.00 24.01 H new ATOM 0 HB2 LYS A 146 -11.074 6.782 0.028 1.00 40.04 H new ATOM 0 HB3 LYS A 146 -11.217 5.437 -1.086 1.00 40.04 H new ATOM 0 HG2 LYS A 146 -13.379 6.424 -0.881 1.00 72.43 H new ATOM 0 HG3 LYS A 146 -13.437 4.875 -0.063 1.00 72.43 H new ATOM 0 HD2 LYS A 146 -14.607 6.455 1.296 1.00 61.24 H new ATOM 0 HD3 LYS A 146 -13.110 6.060 2.118 1.00 61.24 H new ATOM 0 HE2 LYS A 146 -12.068 8.129 1.270 1.00 23.15 H new ATOM 0 HE3 LYS A 146 -13.522 8.516 0.373 1.00 23.15 H new ATOM 0 HZ1 LYS A 146 -13.138 9.543 2.680 1.00 43.10 H new ATOM 0 HZ2 LYS A 146 -14.689 8.986 2.273 1.00 43.10 H new ATOM 0 HZ3 LYS A 146 -13.686 8.049 3.272 1.00 43.10 H new ATOM 2111 N ILE A 147 -9.489 3.093 0.122 1.00 53.43 N ATOM 2112 CA ILE A 147 -8.375 2.492 -0.499 1.00 61.43 C ATOM 2113 C ILE A 147 -8.659 2.327 -1.951 1.00 40.52 C ATOM 2114 O ILE A 147 -9.582 1.622 -2.364 1.00 14.54 O ATOM 2115 CB ILE A 147 -7.971 1.165 0.161 1.00 30.51 C ATOM 2116 CG1 ILE A 147 -7.455 1.470 1.554 1.00 73.14 C ATOM 2117 CG2 ILE A 147 -6.918 0.434 -0.672 1.00 22.33 C ATOM 2118 CD1 ILE A 147 -7.055 0.256 2.364 1.00 1.11 C ATOM 0 H ILE A 147 -10.257 2.451 0.318 1.00 53.43 H new ATOM 0 HA ILE A 147 -7.515 3.149 -0.373 1.00 61.43 H new ATOM 0 HB ILE A 147 -8.835 0.503 0.224 1.00 30.51 H new ATOM 0 HG12 ILE A 147 -6.594 2.133 1.470 1.00 73.14 H new ATOM 0 HG13 ILE A 147 -8.225 2.016 2.100 1.00 73.14 H new ATOM 0 HG21 ILE A 147 -6.651 -0.502 -0.181 1.00 22.33 H new ATOM 0 HG22 ILE A 147 -7.321 0.222 -1.663 1.00 22.33 H new ATOM 0 HG23 ILE A 147 -6.031 1.060 -0.767 1.00 22.33 H new ATOM 0 HD11 ILE A 147 -6.699 0.574 3.344 1.00 1.11 H new ATOM 0 HD12 ILE A 147 -7.917 -0.400 2.486 1.00 1.11 H new ATOM 0 HD13 ILE A 147 -6.260 -0.281 1.846 1.00 1.11 H new ATOM 2125 N THR A 148 -7.900 2.992 -2.708 1.00 71.43 N ATOM 2126 CA THR A 148 -8.070 2.999 -4.114 1.00 54.35 C ATOM 2127 C THR A 148 -6.993 2.140 -4.742 1.00 0.34 C ATOM 2128 O THR A 148 -5.806 2.422 -4.601 1.00 11.31 O ATOM 2129 CB THR A 148 -7.988 4.443 -4.643 1.00 21.02 C ATOM 2130 OG1 THR A 148 -8.932 5.260 -3.922 1.00 71.31 O ATOM 2131 CG2 THR A 148 -8.323 4.499 -6.120 1.00 22.23 C ATOM 0 H THR A 148 -7.123 3.563 -2.375 1.00 71.43 H new ATOM 0 HA THR A 148 -9.049 2.595 -4.373 1.00 54.35 H new ATOM 0 HB THR A 148 -6.971 4.809 -4.500 1.00 21.02 H new ATOM 0 HG1 THR A 148 -8.885 6.182 -4.251 1.00 71.31 H new ATOM 0 HG21 THR A 148 -8.258 5.530 -6.469 1.00 22.23 H new ATOM 0 HG22 THR A 148 -7.618 3.882 -6.677 1.00 22.23 H new ATOM 0 HG23 THR A 148 -9.335 4.126 -6.278 1.00 22.23 H new ATOM 2137 N VAL A 149 -7.384 1.087 -5.395 1.00 42.10 N ATOM 2138 CA VAL A 149 -6.416 0.253 -6.014 1.00 24.54 C ATOM 2139 C VAL A 149 -6.398 0.523 -7.491 1.00 21.03 C ATOM 2140 O VAL A 149 -7.450 0.550 -8.159 1.00 74.31 O ATOM 2141 CB VAL A 149 -6.609 -1.285 -5.748 1.00 41.32 C ATOM 2142 CG1 VAL A 149 -6.680 -1.605 -4.279 1.00 2.30 C ATOM 2143 CG2 VAL A 149 -7.798 -1.855 -6.459 1.00 73.25 C ATOM 0 H VAL A 149 -8.354 0.793 -5.509 1.00 42.10 H new ATOM 0 HA VAL A 149 -5.460 0.507 -5.557 1.00 24.54 H new ATOM 0 HB VAL A 149 -5.719 -1.762 -6.160 1.00 41.32 H new ATOM 0 HG11 VAL A 149 -6.814 -2.679 -4.147 1.00 2.30 H new ATOM 0 HG12 VAL A 149 -5.756 -1.292 -3.793 1.00 2.30 H new ATOM 0 HG13 VAL A 149 -7.522 -1.077 -3.832 1.00 2.30 H new ATOM 0 HG21 VAL A 149 -7.879 -2.919 -6.237 1.00 73.25 H new ATOM 0 HG22 VAL A 149 -8.701 -1.345 -6.124 1.00 73.25 H new ATOM 0 HG23 VAL A 149 -7.680 -1.717 -7.534 1.00 73.25 H new ATOM 2149 N TYR A 150 -5.245 0.773 -8.000 1.00 53.35 N ATOM 2150 CA TYR A 150 -5.114 0.942 -9.400 1.00 11.12 C ATOM 2151 C TYR A 150 -4.879 -0.394 -10.013 1.00 33.55 C ATOM 2152 O TYR A 150 -3.934 -1.112 -9.662 1.00 41.52 O ATOM 2153 CB TYR A 150 -4.053 1.979 -9.762 1.00 44.33 C ATOM 2154 CG TYR A 150 -4.488 3.403 -9.440 1.00 62.13 C ATOM 2155 CD1 TYR A 150 -4.551 3.866 -8.130 1.00 13.22 C ATOM 2156 CD2 TYR A 150 -4.864 4.274 -10.452 1.00 14.41 C ATOM 2157 CE1 TYR A 150 -4.964 5.150 -7.845 1.00 62.14 C ATOM 2158 CE2 TYR A 150 -5.279 5.562 -10.175 1.00 44.23 C ATOM 2159 CZ TYR A 150 -5.325 5.995 -8.869 1.00 44.35 C ATOM 2160 OH TYR A 150 -5.747 7.280 -8.584 1.00 5.32 O ATOM 0 H TYR A 150 -4.380 0.865 -7.468 1.00 53.35 H new ATOM 0 HA TYR A 150 -6.036 1.352 -9.812 1.00 11.12 H new ATOM 0 HB2 TYR A 150 -3.133 1.754 -9.223 1.00 44.33 H new ATOM 0 HB3 TYR A 150 -3.826 1.905 -10.826 1.00 44.33 H new ATOM 0 HD1 TYR A 150 -4.271 3.207 -7.321 1.00 13.22 H new ATOM 0 HD2 TYR A 150 -4.832 3.938 -11.478 1.00 14.41 H new ATOM 0 HE1 TYR A 150 -5.004 5.492 -6.821 1.00 62.14 H new ATOM 0 HE2 TYR A 150 -5.566 6.225 -10.978 1.00 44.23 H new ATOM 0 HH TYR A 150 -5.963 7.746 -9.419 1.00 5.32 H new ATOM 2170 N THR A 151 -5.758 -0.748 -10.878 1.00 42.11 N ATOM 2171 CA THR A 151 -5.763 -2.026 -11.450 1.00 61.12 C ATOM 2172 C THR A 151 -5.309 -1.982 -12.898 1.00 54.35 C ATOM 2173 O THR A 151 -5.933 -1.349 -13.755 1.00 32.22 O ATOM 2174 CB THR A 151 -7.184 -2.603 -11.351 1.00 71.32 C ATOM 2175 OG1 THR A 151 -7.605 -2.535 -9.980 1.00 23.35 O ATOM 2176 CG2 THR A 151 -7.221 -4.045 -11.798 1.00 12.32 C ATOM 0 H THR A 151 -6.506 -0.138 -11.209 1.00 42.11 H new ATOM 0 HA THR A 151 -5.063 -2.663 -10.909 1.00 61.12 H new ATOM 0 HB THR A 151 -7.844 -2.024 -11.997 1.00 71.32 H new ATOM 0 HG1 THR A 151 -8.583 -2.587 -9.935 1.00 23.35 H new ATOM 0 HG21 THR A 151 -8.239 -4.425 -11.717 1.00 12.32 H new ATOM 0 HG22 THR A 151 -6.890 -4.113 -12.834 1.00 12.32 H new ATOM 0 HG23 THR A 151 -6.560 -4.639 -11.166 1.00 12.32 H new ATOM 2182 N LEU A 152 -4.205 -2.607 -13.139 1.00 3.24 N ATOM 2183 CA LEU A 152 -3.689 -2.781 -14.467 1.00 12.52 C ATOM 2184 C LEU A 152 -4.243 -4.086 -15.021 1.00 3.04 C ATOM 2185 O LEU A 152 -5.234 -4.057 -15.762 1.00 37.51 O ATOM 2186 CB LEU A 152 -2.139 -2.831 -14.479 1.00 70.34 C ATOM 2187 CG LEU A 152 -1.362 -1.619 -13.932 1.00 33.01 C ATOM 2188 CD1 LEU A 152 -1.635 -1.420 -12.477 1.00 65.10 C ATOM 2189 CD2 LEU A 152 0.121 -1.814 -14.163 1.00 54.04 C ATOM 2190 OXT LEU A 152 -3.713 -5.156 -14.671 1.00 37.51 O ATOM 0 H LEU A 152 -3.622 -3.020 -12.411 1.00 3.24 H new ATOM 0 HA LEU A 152 -3.994 -1.932 -15.079 1.00 12.52 H new ATOM 0 HB2 LEU A 152 -1.831 -3.707 -13.909 1.00 70.34 H new ATOM 0 HB3 LEU A 152 -1.820 -2.992 -15.509 1.00 70.34 H new ATOM 0 HG LEU A 152 -1.695 -0.727 -14.463 1.00 33.01 H new ATOM 0 HD11 LEU A 152 -1.074 -0.558 -12.116 1.00 65.10 H new ATOM 0 HD12 LEU A 152 -2.701 -1.248 -12.327 1.00 65.10 H new ATOM 0 HD13 LEU A 152 -1.330 -2.309 -11.925 1.00 65.10 H new ATOM 0 HD21 LEU A 152 0.666 -0.954 -13.774 1.00 54.04 H new ATOM 0 HD22 LEU A 152 0.454 -2.716 -13.650 1.00 54.04 H new ATOM 0 HD23 LEU A 152 0.313 -1.912 -15.231 1.00 54.04 H new TER 2198 LEU A 152 HETATM 2199 N1 APR A 186 1.135 0.498 -11.259 1.00 24.11 N HETATM 2200 C2 APR A 186 0.150 -0.065 -10.554 1.00 72.55 C HETATM 2201 N3 APR A 186 0.173 -1.365 -10.266 1.00 12.40 N HETATM 2202 C4 APR A 186 1.180 -2.140 -10.682 1.00 73.31 C HETATM 2203 C5 APR A 186 2.202 -1.603 -11.404 1.00 70.22 C HETATM 2204 C6 APR A 186 2.175 -0.255 -11.696 1.00 73.25 C HETATM 2205 N6 APR A 186 3.146 0.293 -12.413 1.00 12.32 N HETATM 2206 N7 APR A 186 3.052 -2.578 -11.696 1.00 4.23 N HETATM 2207 C8 APR A 186 2.568 -3.713 -11.167 1.00 22.21 C HETATM 2208 N9 APR A 186 1.410 -3.429 -10.549 1.00 51.44 N HETATM 2209 C1' APR A 186 0.498 -4.409 -9.847 1.00 74.31 C HETATM 2210 C2' APR A 186 0.228 -5.614 -10.798 1.00 14.11 C HETATM 2211 O2' APR A 186 -0.851 -5.347 -11.640 1.00 2.25 O HETATM 2212 C3' APR A 186 -0.122 -6.747 -9.801 1.00 64.11 C HETATM 2213 O3' APR A 186 -1.501 -6.929 -9.736 1.00 45.11 O HETATM 2214 O4' APR A 186 1.070 -4.936 -8.664 1.00 71.13 O HETATM 2215 C4' APR A 186 0.436 -6.206 -8.420 1.00 13.33 C HETATM 2216 C5' APR A 186 1.441 -7.234 -7.842 1.00 43.41 C HETATM 2217 O5' APR A 186 2.478 -6.572 -7.121 1.00 54.34 O HETATM 2218 PA APR A 186 3.526 -7.435 -6.267 1.00 11.31 P HETATM 2219 O1A APR A 186 4.927 -6.940 -6.357 1.00 51.20 O HETATM 2220 O2A APR A 186 3.411 -8.948 -6.818 1.00 71.00 O HETATM 2221 O3A APR A 186 2.993 -7.442 -4.764 1.00 14.33 O HETATM 2222 PB APR A 186 3.803 -6.659 -3.620 1.00 14.54 P HETATM 2223 O1B APR A 186 3.067 -6.541 -2.325 1.00 51.45 O HETATM 2224 O2B APR A 186 4.141 -5.175 -4.204 1.00 70.45 O HETATM 2225 O5D APR A 186 5.226 -7.405 -3.456 1.00 73.15 O HETATM 2226 C5D APR A 186 5.556 -8.092 -2.243 1.00 74.40 C HETATM 2227 O4D APR A 186 6.857 -10.028 -3.058 1.00 32.20 O HETATM 2228 O1D APR A 186 8.345 -9.232 -1.367 1.00 13.22 O HETATM 2229 C1D APR A 186 7.720 -10.392 -1.992 1.00 60.15 C HETATM 2230 O2D APR A 186 6.653 -12.470 -1.302 1.00 35.22 O HETATM 2231 C2D APR A 186 6.826 -11.133 -0.946 1.00 70.43 C HETATM 2232 O3D APR A 186 4.374 -11.154 -0.984 1.00 61.33 O HETATM 2233 C3D APR A 186 5.498 -10.352 -1.067 1.00 62.21 C HETATM 2234 C4D APR A 186 5.624 -9.622 -2.465 1.00 32.15 C HETATM 0 HR'4 APR A 186 4.809 -9.889 -3.138 1.00 32.15 H new HETATM 0 HR'3 APR A 186 5.357 -9.658 -0.238 1.00 62.21 H new HETATM 0 HR'2 APR A 186 7.240 -11.154 0.062 1.00 70.43 H new HETATM 0 HR'1 APR A 186 8.532 -11.016 -2.366 1.00 60.15 H new HETATM 0 HOR3 APR A 186 3.581 -10.631 -1.224 1.00 61.33 H new HETATM 0 HOR2 APR A 186 5.699 -12.654 -1.429 1.00 35.22 H new HETATM 0 HOR1 APR A 186 9.144 -9.516 -0.876 1.00 13.22 H new HETATM 0 HO'3 APR A 186 -1.702 -7.705 -9.172 1.00 45.11 H new HETATM 0 HO'2 APR A 186 -1.004 -6.115 -12.230 1.00 2.25 H new HETATM 0 H5R2 APR A 186 6.515 -7.734 -1.869 1.00 74.40 H new HETATM 0 H5R1 APR A 186 4.811 -7.866 -1.480 1.00 74.40 H new HETATM 0 H5'2 APR A 186 0.920 -7.929 -7.184 1.00 43.41 H new HETATM 0 H5'1 APR A 186 1.872 -7.823 -8.651 1.00 43.41 H new HETATM 0 H8 APR A 186 3.035 -4.696 -11.229 1.00 22.21 H new HETATM 0 H62 APR A 186 3.925 -0.279 -12.738 1.00 12.32 H new HETATM 0 H61 APR A 186 3.114 1.287 -12.639 1.00 12.32 H new HETATM 0 H2 APR A 186 -0.683 0.548 -10.210 1.00 72.55 H new HETATM 0 H'4 APR A 186 -0.365 -6.072 -7.693 1.00 13.33 H new HETATM 0 H'3 APR A 186 0.300 -7.712 -10.082 1.00 64.11 H new HETATM 0 H'2 APR A 186 1.064 -5.850 -11.456 1.00 14.11 H new HETATM 0 H'1 APR A 186 -0.411 -3.867 -9.587 1.00 74.31 H new