USER MOD reduce.3.24.130724 H: found=0, std=0, add=1221, rem=0, adj=51 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 93 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 128 GLN : amide:sc= -0.586 K(o=-1.8,f=-3.2) USER MOD Set 1.3: A 131 ASN :FLIP amide:sc= -1.17 F(o=-2.9!,f=-1.8) USER MOD Set 2.1: A 103 MET CE :methyl -179:sc= -0.455 (180deg=-0.457) USER MOD Set 2.2: A 117 MET CE :methyl 173:sc= -1.08 (180deg=-1.16) USER MOD Set 3.1: A 65 SER OG : rot 43:sc= 1.62 USER MOD Set 3.2: A 95 ASN : amide:sc= -3.11! C(o=-1.5!,f=-6.7!) USER MOD Set 4.1: A 84 LYS NZ :NH3+ 173:sc= 1.24 (180deg=0.16) USER MOD Set 4.2: A 92 THR OG1 : rot 150:sc= 0.828 USER MOD Set 5.1: A 77 TYR OH : rot 180:sc= 0 USER MOD Set 5.2: A 79 TYR OH : rot -93:sc= 2.33 USER MOD Set 5.3: A 106 HIS : no HE2:sc= 0.266 K(o=5.8,f=-5.3!) USER MOD Set 5.4: A 107 CYS SG : rot 74:sc= 2.37 USER MOD Set 5.5: A 110 ASN :FLIP amide:sc= 0.862 F(o=3.2!,f=5.8) USER MOD Set 6.1: A 38 CYS SG : rot -6:sc= -2.06! USER MOD Set 6.2: A 63 LYS NZ :NH3+ -167:sc= 1.27 (180deg=1.13) USER MOD Single : A 3 SER OG : rot 21:sc= 0.181 USER MOD Single : A 4 SER OG : rot 120:sc= -0.0451 USER MOD Single : A 6 ASN :FLIP amide:sc= -0.878 F(o=-2.2!,f=-0.88) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 150:sc= -2.69! USER MOD Single : A 16 TYR OH : rot -16:sc= 2.6 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 CYS SG : rot -90:sc= -0.566! USER MOD Single : A 26 LYS NZ :NH3+ 169:sc= -0.0234 (180deg=-0.19) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -0.785 X(o=-0.79,f=-0.97) USER MOD Single : A 33 CYS SG : rot 170:sc= -3.45! USER MOD Single : A 35 SER OG : rot 170:sc= 0.259 USER MOD Single : A 40 MET CE :methyl -174:sc= 0 (180deg=-0.0618) USER MOD Single : A 49 LYS NZ :NH3+ -159:sc= -0.136 (180deg=-0.512) USER MOD Single : A 50 LYS NZ :NH3+ 166:sc= -0.0466 (180deg=-0.231) USER MOD Single : A 51 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.072) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 ASN : amide:sc= -0.151 K(o=-0.15,f=-0.82!) USER MOD Single : A 61 GLN : amide:sc= -0.937 K(o=-0.94,f=-2.2!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot -79:sc= 0.739 USER MOD Single : A 85 LYS NZ :NH3+ -178:sc= 1.15 (180deg=1.07) USER MOD Single : A 88 SER OG : rot -32:sc= 0.354 USER MOD Single : A 89 HIS : no HD1:sc= -0.643 X(o=-0.64,f=-0.32) USER MOD Single : A 90 LYS NZ :NH3+ 169:sc= -0.0148 (180deg=-0.142) USER MOD Single : A 97 GLN : amide:sc= 0.104 X(o=0.1,f=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 78:sc= 0.876 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 1.08 (180deg=1.08) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 45:sc= 0.517 USER MOD Single : A 122 CYS SG : rot -76:sc= 0.328 USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD Single : A 135 MET CE :methyl -170:sc= -1.03 (180deg=-1.22) USER MOD Single : A 143 THR OG1 : rot -46:sc= 1.28 USER MOD Single : A 146 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 148 THR OG1 : rot 180:sc= 0 USER MOD Single : A 150 TYR OH : rot 180:sc= -0.413 USER MOD Single : A 151 THR OG1 : rot 178:sc= 0.403 USER MOD Single : A 186 APR O1D : rot -11:sc= -1.74! USER MOD Single : A 186 APR O2' : rot -97:sc= 0.309 USER MOD Single : A 186 APR O2D : rot -113:sc= -3.87! USER MOD Single : A 186 APR O3' : rot 180:sc= 0.295 USER MOD Single : A 186 APR O3D : rot 180:sc= 0.0893 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 3 -4.563 10.764 -16.319 1.00 74.11 N ATOM 2 CA SER A 3 -5.837 10.142 -16.549 1.00 11.24 C ATOM 3 C SER A 3 -5.809 8.644 -16.260 1.00 41.45 C ATOM 4 O SER A 3 -5.081 7.873 -16.907 1.00 64.14 O ATOM 5 CB SER A 3 -6.261 10.394 -17.995 1.00 62.24 C ATOM 6 OG SER A 3 -6.202 11.786 -18.302 1.00 42.24 O ATOM 0 HA SER A 3 -6.559 10.583 -15.862 1.00 11.24 H new ATOM 0 HB2 SER A 3 -5.611 9.839 -18.672 1.00 62.24 H new ATOM 0 HB3 SER A 3 -7.274 10.024 -18.152 1.00 62.24 H new ATOM 0 HG SER A 3 -5.601 12.235 -17.672 1.00 42.24 H new ATOM 12 N SER A 4 -6.565 8.244 -15.287 1.00 71.35 N ATOM 13 CA SER A 4 -6.731 6.867 -14.976 1.00 3.22 C ATOM 14 C SER A 4 -8.109 6.439 -15.457 1.00 53.51 C ATOM 15 O SER A 4 -8.223 5.770 -16.487 1.00 44.20 O ATOM 16 CB SER A 4 -6.518 6.619 -13.483 1.00 61.01 C ATOM 17 OG SER A 4 -5.204 7.044 -13.096 1.00 72.52 O ATOM 0 H SER A 4 -7.089 8.875 -14.681 1.00 71.35 H new ATOM 0 HA SER A 4 -5.982 6.261 -15.486 1.00 3.22 H new ATOM 0 HB2 SER A 4 -7.268 7.159 -12.906 1.00 61.01 H new ATOM 0 HB3 SER A 4 -6.647 5.560 -13.260 1.00 61.01 H new ATOM 0 HG SER A 4 -5.274 7.742 -12.412 1.00 72.52 H new ATOM 23 N LEU A 5 -9.149 6.881 -14.772 1.00 41.23 N ATOM 24 CA LEU A 5 -10.505 6.593 -15.197 1.00 73.13 C ATOM 25 C LEU A 5 -11.419 7.664 -14.626 1.00 32.31 C ATOM 26 O LEU A 5 -11.920 8.502 -15.356 1.00 35.54 O ATOM 27 CB LEU A 5 -10.912 5.156 -14.725 1.00 74.21 C ATOM 28 CG LEU A 5 -12.246 4.529 -15.230 1.00 13.20 C ATOM 29 CD1 LEU A 5 -12.301 3.070 -14.821 1.00 21.20 C ATOM 30 CD2 LEU A 5 -13.471 5.236 -14.666 1.00 43.11 C ATOM 0 H LEU A 5 -9.080 7.439 -13.921 1.00 41.23 H new ATOM 0 HA LEU A 5 -10.588 6.609 -16.284 1.00 73.13 H new ATOM 0 HB2 LEU A 5 -10.106 4.479 -15.008 1.00 74.21 H new ATOM 0 HB3 LEU A 5 -10.950 5.169 -13.636 1.00 74.21 H new ATOM 0 HG LEU A 5 -12.263 4.636 -16.315 1.00 13.20 H new ATOM 0 HD11 LEU A 5 -13.233 2.628 -15.173 1.00 21.20 H new ATOM 0 HD12 LEU A 5 -11.458 2.537 -15.261 1.00 21.20 H new ATOM 0 HD13 LEU A 5 -12.251 2.995 -13.735 1.00 21.20 H new ATOM 0 HD21 LEU A 5 -14.374 4.760 -15.049 1.00 43.11 H new ATOM 0 HD22 LEU A 5 -13.460 5.171 -13.578 1.00 43.11 H new ATOM 0 HD23 LEU A 5 -13.457 6.284 -14.967 1.00 43.11 H new ATOM 38 N ASN A 6 -11.554 7.629 -13.313 1.00 64.03 N ATOM 39 CA ASN A 6 -12.388 8.503 -12.461 1.00 25.12 C ATOM 40 C ASN A 6 -12.320 7.959 -11.077 1.00 12.30 C ATOM 41 O ASN A 6 -12.988 6.962 -10.747 1.00 1.15 O ATOM 42 CB ASN A 6 -13.882 8.620 -12.888 1.00 55.41 C ATOM 43 CG ASN A 6 -14.156 9.618 -14.010 1.00 10.04 C ATOM 44 OD1 ASN A 6 -13.427 10.722 -14.036 1.00 31.44 O flip ATOM 45 ND2 ASN A 6 -15.056 9.408 -14.831 1.00 62.45 N flip ATOM 0 H ASN A 6 -11.049 6.939 -12.756 1.00 64.03 H new ATOM 0 HA ASN A 6 -11.988 9.513 -12.552 1.00 25.12 H new ATOM 0 HB2 ASN A 6 -14.232 7.637 -13.203 1.00 55.41 H new ATOM 0 HB3 ASN A 6 -14.472 8.905 -12.017 1.00 55.41 H new ATOM 0 HD21 ASN A 6 -15.599 8.546 -14.783 1.00 62.45 H new ATOM 0 HD22 ASN A 6 -15.255 10.097 -15.557 1.00 62.45 H new ATOM 51 N GLU A 7 -11.494 8.554 -10.278 1.00 14.14 N ATOM 52 CA GLU A 7 -11.263 8.067 -8.961 1.00 24.13 C ATOM 53 C GLU A 7 -12.291 8.617 -7.996 1.00 42.21 C ATOM 54 O GLU A 7 -12.084 9.642 -7.338 1.00 71.44 O ATOM 55 CB GLU A 7 -9.822 8.323 -8.490 1.00 52.11 C ATOM 56 CG GLU A 7 -8.718 7.674 -9.357 1.00 61.13 C ATOM 57 CD GLU A 7 -8.615 8.249 -10.773 1.00 2.12 C ATOM 58 OE1 GLU A 7 -8.026 9.342 -10.931 1.00 14.14 O ATOM 59 OE2 GLU A 7 -9.103 7.614 -11.737 1.00 33.23 O ATOM 0 H GLU A 7 -10.962 9.390 -10.522 1.00 14.14 H new ATOM 0 HA GLU A 7 -11.382 6.984 -8.984 1.00 24.13 H new ATOM 0 HB2 GLU A 7 -9.653 9.399 -8.461 1.00 52.11 H new ATOM 0 HB3 GLU A 7 -9.721 7.957 -7.468 1.00 52.11 H new ATOM 0 HG2 GLU A 7 -7.758 7.797 -8.856 1.00 61.13 H new ATOM 0 HG3 GLU A 7 -8.907 6.603 -9.424 1.00 61.13 H new ATOM 66 N ASP A 8 -13.421 7.974 -7.992 1.00 31.44 N ATOM 67 CA ASP A 8 -14.538 8.323 -7.152 1.00 11.13 C ATOM 68 C ASP A 8 -15.267 7.052 -6.753 1.00 32.03 C ATOM 69 O ASP A 8 -15.948 6.444 -7.575 1.00 12.54 O ATOM 70 CB ASP A 8 -15.486 9.285 -7.896 1.00 72.23 C ATOM 71 CG ASP A 8 -16.736 9.637 -7.112 1.00 2.31 C ATOM 72 OD1 ASP A 8 -16.648 10.428 -6.149 1.00 54.31 O ATOM 73 OD2 ASP A 8 -17.826 9.154 -7.475 1.00 43.22 O ATOM 0 H ASP A 8 -13.600 7.167 -8.590 1.00 31.44 H new ATOM 0 HA ASP A 8 -14.182 8.831 -6.256 1.00 11.13 H new ATOM 0 HB2 ASP A 8 -14.946 10.202 -8.133 1.00 72.23 H new ATOM 0 HB3 ASP A 8 -15.778 8.833 -8.844 1.00 72.23 H new ATOM 78 N PRO A 9 -15.062 6.581 -5.519 1.00 1.42 N ATOM 79 CA PRO A 9 -15.726 5.375 -5.019 1.00 2.22 C ATOM 80 C PRO A 9 -17.215 5.605 -4.773 1.00 54.13 C ATOM 81 O PRO A 9 -17.669 6.746 -4.658 1.00 20.13 O ATOM 82 CB PRO A 9 -15.021 5.096 -3.691 1.00 74.20 C ATOM 83 CG PRO A 9 -14.449 6.405 -3.268 1.00 13.31 C ATOM 84 CD PRO A 9 -14.152 7.173 -4.520 1.00 64.14 C ATOM 0 HA PRO A 9 -15.663 4.554 -5.733 1.00 2.22 H new ATOM 0 HB2 PRO A 9 -15.720 4.713 -2.947 1.00 74.20 H new ATOM 0 HB3 PRO A 9 -14.240 4.345 -3.810 1.00 74.20 H new ATOM 0 HG2 PRO A 9 -15.153 6.949 -2.639 1.00 13.31 H new ATOM 0 HG3 PRO A 9 -13.543 6.259 -2.680 1.00 13.31 H new ATOM 0 HD2 PRO A 9 -14.340 8.239 -4.390 1.00 64.14 H new ATOM 0 HD3 PRO A 9 -13.109 7.067 -4.817 1.00 64.14 H new ATOM 92 N GLU A 10 -17.972 4.533 -4.672 1.00 72.41 N ATOM 93 CA GLU A 10 -19.411 4.650 -4.439 1.00 51.31 C ATOM 94 C GLU A 10 -19.694 4.765 -2.946 1.00 62.32 C ATOM 95 O GLU A 10 -20.830 4.983 -2.531 1.00 74.41 O ATOM 96 CB GLU A 10 -20.201 3.449 -4.997 1.00 73.21 C ATOM 97 CG GLU A 10 -20.055 3.157 -6.496 1.00 64.21 C ATOM 98 CD GLU A 10 -18.708 2.600 -6.880 1.00 13.42 C ATOM 99 OE1 GLU A 10 -18.448 1.412 -6.600 1.00 63.05 O ATOM 100 OE2 GLU A 10 -17.895 3.318 -7.471 1.00 75.42 O ATOM 0 H GLU A 10 -17.627 3.576 -4.746 1.00 72.41 H new ATOM 0 HA GLU A 10 -19.739 5.547 -4.964 1.00 51.31 H new ATOM 0 HB2 GLU A 10 -19.897 2.558 -4.447 1.00 73.21 H new ATOM 0 HB3 GLU A 10 -21.258 3.610 -4.784 1.00 73.21 H new ATOM 0 HG2 GLU A 10 -20.829 2.450 -6.796 1.00 64.21 H new ATOM 0 HG3 GLU A 10 -20.230 4.077 -7.054 1.00 64.21 H new ATOM 107 N GLY A 11 -18.662 4.626 -2.161 1.00 74.42 N ATOM 108 CA GLY A 11 -18.802 4.622 -0.728 1.00 2.30 C ATOM 109 C GLY A 11 -18.425 3.272 -0.214 1.00 52.40 C ATOM 110 O GLY A 11 -19.192 2.614 0.492 1.00 35.32 O ATOM 0 H GLY A 11 -17.704 4.513 -2.492 1.00 74.42 H new ATOM 0 HA2 GLY A 11 -18.165 5.387 -0.284 1.00 2.30 H new ATOM 0 HA3 GLY A 11 -19.828 4.860 -0.448 1.00 2.30 H new ATOM 114 N SER A 12 -17.239 2.861 -0.580 1.00 35.42 N ATOM 115 CA SER A 12 -16.735 1.548 -0.297 1.00 30.54 C ATOM 116 C SER A 12 -15.313 1.677 0.209 1.00 33.12 C ATOM 117 O SER A 12 -14.749 2.781 0.196 1.00 13.14 O ATOM 118 CB SER A 12 -16.751 0.741 -1.596 1.00 51.12 C ATOM 119 OG SER A 12 -18.065 0.703 -2.154 1.00 45.32 O ATOM 0 H SER A 12 -16.583 3.447 -1.096 1.00 35.42 H new ATOM 0 HA SER A 12 -17.345 1.049 0.456 1.00 30.54 H new ATOM 0 HB2 SER A 12 -16.059 1.184 -2.313 1.00 51.12 H new ATOM 0 HB3 SER A 12 -16.404 -0.274 -1.403 1.00 51.12 H new ATOM 0 HG SER A 12 -18.053 0.184 -2.985 1.00 45.32 H new ATOM 125 N ARG A 13 -14.727 0.584 0.654 1.00 73.00 N ATOM 126 CA ARG A 13 -13.353 0.631 1.100 1.00 1.05 C ATOM 127 C ARG A 13 -12.408 0.538 -0.081 1.00 31.41 C ATOM 128 O ARG A 13 -11.635 1.455 -0.332 1.00 31.32 O ATOM 129 CB ARG A 13 -13.004 -0.418 2.197 1.00 71.24 C ATOM 130 CG ARG A 13 -13.674 -0.179 3.561 1.00 1.54 C ATOM 131 CD ARG A 13 -15.157 -0.533 3.589 1.00 50.00 C ATOM 132 NE ARG A 13 -15.377 -1.990 3.534 1.00 31.04 N ATOM 133 CZ ARG A 13 -16.579 -2.596 3.571 1.00 61.33 C ATOM 134 NH1 ARG A 13 -17.706 -1.872 3.577 1.00 70.54 N ATOM 135 NH2 ARG A 13 -16.656 -3.930 3.591 1.00 15.14 N ATOM 0 H ARG A 13 -15.172 -0.332 0.715 1.00 73.00 H new ATOM 0 HA ARG A 13 -13.223 1.599 1.584 1.00 1.05 H new ATOM 0 HB2 ARG A 13 -13.289 -1.407 1.837 1.00 71.24 H new ATOM 0 HB3 ARG A 13 -11.923 -0.429 2.337 1.00 71.24 H new ATOM 0 HG2 ARG A 13 -13.155 -0.767 4.318 1.00 1.54 H new ATOM 0 HG3 ARG A 13 -13.555 0.869 3.835 1.00 1.54 H new ATOM 0 HD2 ARG A 13 -15.609 -0.132 4.496 1.00 50.00 H new ATOM 0 HD3 ARG A 13 -15.659 -0.058 2.746 1.00 50.00 H new ATOM 0 HE ARG A 13 -14.553 -2.587 3.462 1.00 31.04 H new ATOM 0 HH11 ARG A 13 -17.658 -0.853 3.553 1.00 70.54 H new ATOM 0 HH12 ARG A 13 -18.612 -2.339 3.605 1.00 70.54 H new ATOM 0 HH21 ARG A 13 -15.804 -4.490 3.578 1.00 15.14 H new ATOM 0 HH22 ARG A 13 -17.567 -4.388 3.619 1.00 15.14 H new ATOM 147 N ILE A 14 -12.492 -0.545 -0.817 1.00 24.02 N ATOM 148 CA ILE A 14 -11.633 -0.746 -1.969 1.00 41.33 C ATOM 149 C ILE A 14 -12.313 -0.258 -3.254 1.00 61.12 C ATOM 150 O ILE A 14 -13.455 -0.613 -3.552 1.00 41.21 O ATOM 151 CB ILE A 14 -11.189 -2.231 -2.119 1.00 72.43 C ATOM 152 CG1 ILE A 14 -10.402 -2.670 -0.873 1.00 44.12 C ATOM 153 CG2 ILE A 14 -10.348 -2.431 -3.385 1.00 12.35 C ATOM 154 CD1 ILE A 14 -9.923 -4.105 -0.912 1.00 34.15 C ATOM 0 H ILE A 14 -13.148 -1.306 -0.641 1.00 24.02 H new ATOM 0 HA ILE A 14 -10.735 -0.151 -1.801 1.00 41.33 H new ATOM 0 HB ILE A 14 -12.081 -2.850 -2.212 1.00 72.43 H new ATOM 0 HG12 ILE A 14 -9.539 -2.015 -0.753 1.00 44.12 H new ATOM 0 HG13 ILE A 14 -11.031 -2.533 0.007 1.00 44.12 H new ATOM 0 HG21 ILE A 14 -10.052 -3.477 -3.464 1.00 12.35 H new ATOM 0 HG22 ILE A 14 -10.936 -2.153 -4.260 1.00 12.35 H new ATOM 0 HG23 ILE A 14 -9.457 -1.805 -3.333 1.00 12.35 H new ATOM 0 HD11 ILE A 14 -9.378 -4.332 0.004 1.00 34.15 H new ATOM 0 HD12 ILE A 14 -10.780 -4.773 -0.999 1.00 34.15 H new ATOM 0 HD13 ILE A 14 -9.265 -4.246 -1.770 1.00 34.15 H new ATOM 161 N THR A 15 -11.606 0.561 -3.979 1.00 20.13 N ATOM 162 CA THR A 15 -12.051 1.122 -5.219 1.00 74.34 C ATOM 163 C THR A 15 -11.171 0.603 -6.362 1.00 41.44 C ATOM 164 O THR A 15 -9.951 0.725 -6.308 1.00 52.51 O ATOM 165 CB THR A 15 -11.935 2.660 -5.151 1.00 21.10 C ATOM 166 OG1 THR A 15 -12.671 3.130 -4.018 1.00 22.03 O ATOM 167 CG2 THR A 15 -12.461 3.320 -6.424 1.00 23.31 C ATOM 0 H THR A 15 -10.670 0.866 -3.712 1.00 20.13 H new ATOM 0 HA THR A 15 -13.087 0.835 -5.397 1.00 74.34 H new ATOM 0 HB THR A 15 -10.882 2.925 -5.055 1.00 21.10 H new ATOM 0 HG1 THR A 15 -12.256 3.949 -3.675 1.00 22.03 H new ATOM 0 HG21 THR A 15 -12.363 4.402 -6.340 1.00 23.31 H new ATOM 0 HG22 THR A 15 -11.885 2.969 -7.280 1.00 23.31 H new ATOM 0 HG23 THR A 15 -13.511 3.060 -6.562 1.00 23.31 H new ATOM 173 N TYR A 16 -11.780 0.019 -7.361 1.00 24.23 N ATOM 174 CA TYR A 16 -11.051 -0.467 -8.520 1.00 32.10 C ATOM 175 C TYR A 16 -11.018 0.551 -9.633 1.00 12.01 C ATOM 176 O TYR A 16 -12.056 0.897 -10.206 1.00 22.53 O ATOM 177 CB TYR A 16 -11.625 -1.780 -9.038 1.00 30.15 C ATOM 178 CG TYR A 16 -10.837 -3.011 -8.657 1.00 74.44 C ATOM 179 CD1 TYR A 16 -11.058 -3.684 -7.466 1.00 71.13 C ATOM 180 CD2 TYR A 16 -9.865 -3.507 -9.518 1.00 13.12 C ATOM 181 CE1 TYR A 16 -10.326 -4.817 -7.151 1.00 71.23 C ATOM 182 CE2 TYR A 16 -9.144 -4.630 -9.212 1.00 34.44 C ATOM 183 CZ TYR A 16 -9.370 -5.282 -8.035 1.00 10.32 C ATOM 184 OH TYR A 16 -8.640 -6.408 -7.736 1.00 41.12 O ATOM 0 H TYR A 16 -12.787 -0.136 -7.402 1.00 24.23 H new ATOM 0 HA TYR A 16 -10.029 -0.643 -8.186 1.00 32.10 H new ATOM 0 HB2 TYR A 16 -12.643 -1.888 -8.664 1.00 30.15 H new ATOM 0 HB3 TYR A 16 -11.688 -1.729 -10.125 1.00 30.15 H new ATOM 0 HD1 TYR A 16 -11.807 -3.322 -6.778 1.00 71.13 H new ATOM 0 HD2 TYR A 16 -9.674 -2.995 -10.450 1.00 13.12 H new ATOM 0 HE1 TYR A 16 -10.501 -5.335 -6.219 1.00 71.23 H new ATOM 0 HE2 TYR A 16 -8.398 -4.999 -9.901 1.00 34.44 H new ATOM 0 HH TYR A 16 -8.726 -6.609 -6.781 1.00 41.12 H new ATOM 194 N VAL A 17 -9.839 1.023 -9.941 1.00 53.11 N ATOM 195 CA VAL A 17 -9.661 1.949 -11.016 1.00 64.13 C ATOM 196 C VAL A 17 -8.602 1.412 -11.967 1.00 13.01 C ATOM 197 O VAL A 17 -7.615 0.805 -11.541 1.00 20.33 O ATOM 198 CB VAL A 17 -9.276 3.376 -10.515 1.00 42.54 C ATOM 199 CG1 VAL A 17 -7.946 3.398 -9.807 1.00 51.30 C ATOM 200 CG2 VAL A 17 -9.309 4.380 -11.643 1.00 13.40 C ATOM 0 H VAL A 17 -8.979 0.774 -9.452 1.00 53.11 H new ATOM 0 HA VAL A 17 -10.613 2.049 -11.537 1.00 64.13 H new ATOM 0 HB VAL A 17 -10.029 3.664 -9.782 1.00 42.54 H new ATOM 0 HG11 VAL A 17 -7.725 4.414 -9.479 1.00 51.30 H new ATOM 0 HG12 VAL A 17 -7.984 2.737 -8.941 1.00 51.30 H new ATOM 0 HG13 VAL A 17 -7.165 3.059 -10.488 1.00 51.30 H new ATOM 0 HG21 VAL A 17 -9.036 5.364 -11.262 1.00 13.40 H new ATOM 0 HG22 VAL A 17 -8.602 4.081 -12.417 1.00 13.40 H new ATOM 0 HG23 VAL A 17 -10.313 4.420 -12.065 1.00 13.40 H new ATOM 206 N LYS A 18 -8.820 1.595 -13.225 1.00 61.15 N ATOM 207 CA LYS A 18 -7.880 1.144 -14.206 1.00 14.31 C ATOM 208 C LYS A 18 -6.973 2.291 -14.594 1.00 33.12 C ATOM 209 O LYS A 18 -7.435 3.334 -15.050 1.00 70.12 O ATOM 210 CB LYS A 18 -8.593 0.558 -15.423 1.00 65.55 C ATOM 211 CG LYS A 18 -7.650 0.007 -16.489 1.00 61.45 C ATOM 212 CD LYS A 18 -8.408 -0.667 -17.620 1.00 3.35 C ATOM 213 CE LYS A 18 -9.339 0.298 -18.328 1.00 4.34 C ATOM 214 NZ LYS A 18 -10.089 -0.357 -19.409 1.00 14.41 N ATOM 0 H LYS A 18 -9.646 2.057 -13.605 1.00 61.15 H new ATOM 0 HA LYS A 18 -7.273 0.345 -13.780 1.00 14.31 H new ATOM 0 HB2 LYS A 18 -9.257 -0.240 -15.092 1.00 65.55 H new ATOM 0 HB3 LYS A 18 -9.220 1.329 -15.871 1.00 65.55 H new ATOM 0 HG2 LYS A 18 -7.043 0.818 -16.891 1.00 61.45 H new ATOM 0 HG3 LYS A 18 -6.965 -0.708 -16.034 1.00 61.45 H new ATOM 0 HD2 LYS A 18 -7.699 -1.080 -18.337 1.00 3.35 H new ATOM 0 HD3 LYS A 18 -8.984 -1.503 -17.224 1.00 3.35 H new ATOM 0 HE2 LYS A 18 -10.038 0.723 -17.607 1.00 4.34 H new ATOM 0 HE3 LYS A 18 -8.760 1.126 -18.738 1.00 4.34 H new ATOM 0 HZ1 LYS A 18 -10.714 0.336 -19.868 1.00 14.41 H new ATOM 0 HZ2 LYS A 18 -9.424 -0.741 -20.110 1.00 14.41 H new ATOM 0 HZ3 LYS A 18 -10.661 -1.131 -19.015 1.00 14.41 H new ATOM 228 N GLY A 19 -5.711 2.097 -14.404 1.00 63.11 N ATOM 229 CA GLY A 19 -4.743 3.106 -14.668 1.00 73.44 C ATOM 230 C GLY A 19 -3.465 2.794 -13.959 1.00 71.24 C ATOM 231 O GLY A 19 -3.402 1.817 -13.209 1.00 4.41 O ATOM 0 H GLY A 19 -5.319 1.222 -14.057 1.00 63.11 H new ATOM 0 HA2 GLY A 19 -4.564 3.177 -15.741 1.00 73.44 H new ATOM 0 HA3 GLY A 19 -5.120 4.076 -14.343 1.00 73.44 H new ATOM 235 N ASP A 20 -2.459 3.603 -14.179 1.00 25.02 N ATOM 236 CA ASP A 20 -1.150 3.395 -13.577 1.00 15.53 C ATOM 237 C ASP A 20 -1.159 3.950 -12.167 1.00 41.14 C ATOM 238 O ASP A 20 -1.728 5.016 -11.921 1.00 72.42 O ATOM 239 CB ASP A 20 -0.078 4.107 -14.395 1.00 44.32 C ATOM 240 CG ASP A 20 1.327 3.836 -13.902 1.00 61.43 C ATOM 241 OD1 ASP A 20 1.812 4.563 -13.018 1.00 64.42 O ATOM 242 OD2 ASP A 20 1.974 2.905 -14.421 1.00 41.02 O ATOM 0 H ASP A 20 -2.516 4.426 -14.779 1.00 25.02 H new ATOM 0 HA ASP A 20 -0.929 2.328 -13.556 1.00 15.53 H new ATOM 0 HB2 ASP A 20 -0.157 3.794 -15.436 1.00 44.32 H new ATOM 0 HB3 ASP A 20 -0.264 5.181 -14.370 1.00 44.32 H new ATOM 247 N LEU A 21 -0.521 3.264 -11.260 1.00 32.41 N ATOM 248 CA LEU A 21 -0.547 3.625 -9.864 1.00 54.02 C ATOM 249 C LEU A 21 0.177 4.931 -9.596 1.00 45.25 C ATOM 250 O LEU A 21 -0.197 5.667 -8.703 1.00 74.30 O ATOM 251 CB LEU A 21 0.033 2.498 -9.005 1.00 74.00 C ATOM 252 CG LEU A 21 0.018 2.721 -7.493 1.00 72.05 C ATOM 253 CD1 LEU A 21 -1.393 2.896 -6.982 1.00 22.44 C ATOM 254 CD2 LEU A 21 0.680 1.572 -6.790 1.00 55.12 C ATOM 0 H LEU A 21 0.035 2.434 -11.466 1.00 32.41 H new ATOM 0 HA LEU A 21 -1.591 3.775 -9.589 1.00 54.02 H new ATOM 0 HB2 LEU A 21 -0.520 1.584 -9.221 1.00 74.00 H new ATOM 0 HB3 LEU A 21 1.064 2.328 -9.315 1.00 74.00 H new ATOM 0 HG LEU A 21 0.573 3.635 -7.283 1.00 72.05 H new ATOM 0 HD11 LEU A 21 -1.373 3.053 -5.904 1.00 22.44 H new ATOM 0 HD12 LEU A 21 -1.851 3.759 -7.466 1.00 22.44 H new ATOM 0 HD13 LEU A 21 -1.975 2.003 -7.208 1.00 22.44 H new ATOM 0 HD21 LEU A 21 0.662 1.745 -5.714 1.00 55.12 H new ATOM 0 HD22 LEU A 21 0.146 0.649 -7.019 1.00 55.12 H new ATOM 0 HD23 LEU A 21 1.713 1.486 -7.126 1.00 55.12 H new ATOM 262 N PHE A 22 1.188 5.235 -10.375 1.00 72.30 N ATOM 263 CA PHE A 22 1.968 6.444 -10.158 1.00 44.21 C ATOM 264 C PHE A 22 1.269 7.690 -10.690 1.00 52.43 C ATOM 265 O PHE A 22 1.773 8.811 -10.573 1.00 34.31 O ATOM 266 CB PHE A 22 3.399 6.283 -10.666 1.00 24.32 C ATOM 267 CG PHE A 22 4.106 5.166 -9.954 1.00 63.11 C ATOM 268 CD1 PHE A 22 4.606 5.356 -8.677 1.00 22.31 C ATOM 269 CD2 PHE A 22 4.242 3.918 -10.542 1.00 73.13 C ATOM 270 CE1 PHE A 22 5.228 4.326 -8.004 1.00 1.45 C ATOM 271 CE2 PHE A 22 4.862 2.893 -9.876 1.00 43.14 C ATOM 272 CZ PHE A 22 5.355 3.093 -8.603 1.00 21.21 C ATOM 0 H PHE A 22 1.494 4.667 -11.165 1.00 72.30 H new ATOM 0 HA PHE A 22 2.042 6.598 -9.082 1.00 44.21 H new ATOM 0 HB2 PHE A 22 3.387 6.084 -11.738 1.00 24.32 H new ATOM 0 HB3 PHE A 22 3.946 7.214 -10.520 1.00 24.32 H new ATOM 0 HD1 PHE A 22 4.508 6.321 -8.203 1.00 22.31 H new ATOM 0 HD2 PHE A 22 3.855 3.751 -11.536 1.00 73.13 H new ATOM 0 HE1 PHE A 22 5.615 4.486 -7.009 1.00 1.45 H new ATOM 0 HE2 PHE A 22 4.965 1.927 -10.348 1.00 43.14 H new ATOM 0 HZ PHE A 22 5.840 2.284 -8.077 1.00 21.21 H new ATOM 282 N ALA A 23 0.092 7.486 -11.255 1.00 24.51 N ATOM 283 CA ALA A 23 -0.726 8.564 -11.760 1.00 21.05 C ATOM 284 C ALA A 23 -1.544 9.190 -10.619 1.00 23.30 C ATOM 285 O ALA A 23 -2.179 10.232 -10.799 1.00 52.15 O ATOM 286 CB ALA A 23 -1.648 8.034 -12.851 1.00 65.32 C ATOM 0 H ALA A 23 -0.321 6.561 -11.375 1.00 24.51 H new ATOM 0 HA ALA A 23 -0.084 9.337 -12.183 1.00 21.05 H new ATOM 0 HB1 ALA A 23 -2.265 8.847 -13.232 1.00 65.32 H new ATOM 0 HB2 ALA A 23 -1.050 7.621 -13.663 1.00 65.32 H new ATOM 0 HB3 ALA A 23 -2.289 7.254 -12.439 1.00 65.32 H new ATOM 292 N CYS A 24 -1.490 8.557 -9.446 1.00 54.50 N ATOM 293 CA CYS A 24 -2.224 8.980 -8.241 1.00 44.30 C ATOM 294 C CYS A 24 -1.857 10.419 -7.794 1.00 75.51 C ATOM 295 O CYS A 24 -0.757 10.911 -8.089 1.00 44.03 O ATOM 296 CB CYS A 24 -1.925 7.994 -7.113 1.00 71.24 C ATOM 297 SG CYS A 24 -0.159 7.784 -6.800 1.00 1.30 S ATOM 0 H CYS A 24 -0.926 7.720 -9.299 1.00 54.50 H new ATOM 0 HA CYS A 24 -3.288 8.985 -8.479 1.00 44.30 H new ATOM 0 HB2 CYS A 24 -2.411 8.339 -6.200 1.00 71.24 H new ATOM 0 HB3 CYS A 24 -2.361 7.026 -7.360 1.00 71.24 H new ATOM 0 HG CYS A 24 0.300 6.814 -7.534 1.00 1.30 H new ATOM 303 N PRO A 25 -2.781 11.121 -7.097 1.00 4.04 N ATOM 304 CA PRO A 25 -2.543 12.488 -6.609 1.00 21.33 C ATOM 305 C PRO A 25 -1.553 12.527 -5.442 1.00 43.43 C ATOM 306 O PRO A 25 -1.317 11.528 -4.784 1.00 12.45 O ATOM 307 CB PRO A 25 -3.927 12.940 -6.111 1.00 54.42 C ATOM 308 CG PRO A 25 -4.889 11.928 -6.630 1.00 60.15 C ATOM 309 CD PRO A 25 -4.128 10.653 -6.737 1.00 31.22 C ATOM 0 HA PRO A 25 -2.115 13.118 -7.388 1.00 21.33 H new ATOM 0 HB2 PRO A 25 -3.956 12.986 -5.022 1.00 54.42 H new ATOM 0 HB3 PRO A 25 -4.170 13.937 -6.479 1.00 54.42 H new ATOM 0 HG2 PRO A 25 -5.740 11.819 -5.958 1.00 60.15 H new ATOM 0 HG3 PRO A 25 -5.285 12.228 -7.600 1.00 60.15 H new ATOM 0 HD2 PRO A 25 -4.129 10.099 -5.798 1.00 31.22 H new ATOM 0 HD3 PRO A 25 -4.546 9.993 -7.497 1.00 31.22 H new ATOM 317 N LYS A 26 -1.007 13.698 -5.171 1.00 72.13 N ATOM 318 CA LYS A 26 -0.060 13.871 -4.077 1.00 2.45 C ATOM 319 C LYS A 26 -0.803 13.899 -2.728 1.00 72.24 C ATOM 320 O LYS A 26 -0.213 13.719 -1.664 1.00 22.40 O ATOM 321 CB LYS A 26 0.764 15.151 -4.274 1.00 24.34 C ATOM 322 CG LYS A 26 1.826 15.360 -3.207 1.00 13.03 C ATOM 323 CD LYS A 26 2.662 16.610 -3.435 1.00 42.12 C ATOM 324 CE LYS A 26 1.827 17.880 -3.389 1.00 12.43 C ATOM 325 NZ LYS A 26 1.126 18.043 -2.099 1.00 61.40 N ATOM 0 H LYS A 26 -1.203 14.551 -5.695 1.00 72.13 H new ATOM 0 HA LYS A 26 0.627 13.025 -4.073 1.00 2.45 H new ATOM 0 HB2 LYS A 26 1.245 15.117 -5.252 1.00 24.34 H new ATOM 0 HB3 LYS A 26 0.092 16.009 -4.279 1.00 24.34 H new ATOM 0 HG2 LYS A 26 1.345 15.425 -2.231 1.00 13.03 H new ATOM 0 HG3 LYS A 26 2.483 14.490 -3.181 1.00 13.03 H new ATOM 0 HD2 LYS A 26 3.444 16.664 -2.677 1.00 42.12 H new ATOM 0 HD3 LYS A 26 3.160 16.540 -4.402 1.00 42.12 H new ATOM 0 HE2 LYS A 26 2.471 18.742 -3.562 1.00 12.43 H new ATOM 0 HE3 LYS A 26 1.096 17.861 -4.197 1.00 12.43 H new ATOM 0 HZ1 LYS A 26 0.724 19.000 -2.041 1.00 61.40 H new ATOM 0 HZ2 LYS A 26 0.361 17.342 -2.028 1.00 61.40 H new ATOM 0 HZ3 LYS A 26 1.798 17.902 -1.318 1.00 61.40 H new ATOM 339 N THR A 27 -2.094 14.094 -2.801 1.00 53.11 N ATOM 340 CA THR A 27 -2.957 14.118 -1.631 1.00 64.30 C ATOM 341 C THR A 27 -3.233 12.669 -1.183 1.00 4.23 C ATOM 342 O THR A 27 -3.709 12.404 -0.077 1.00 42.55 O ATOM 343 CB THR A 27 -4.283 14.795 -2.019 1.00 31.15 C ATOM 344 OG1 THR A 27 -3.987 16.026 -2.688 1.00 33.41 O ATOM 345 CG2 THR A 27 -5.131 15.088 -0.789 1.00 23.11 C ATOM 0 H THR A 27 -2.589 14.243 -3.680 1.00 53.11 H new ATOM 0 HA THR A 27 -2.482 14.666 -0.817 1.00 64.30 H new ATOM 0 HB THR A 27 -4.844 14.124 -2.669 1.00 31.15 H new ATOM 0 HG1 THR A 27 -4.823 16.469 -2.943 1.00 33.41 H new ATOM 0 HG21 THR A 27 -6.062 15.566 -1.094 1.00 23.11 H new ATOM 0 HG22 THR A 27 -5.355 14.155 -0.271 1.00 23.11 H new ATOM 0 HG23 THR A 27 -4.584 15.752 -0.120 1.00 23.11 H new ATOM 351 N ASP A 28 -2.895 11.757 -2.051 1.00 50.44 N ATOM 352 CA ASP A 28 -3.045 10.338 -1.834 1.00 15.22 C ATOM 353 C ASP A 28 -1.734 9.772 -1.261 1.00 44.10 C ATOM 354 O ASP A 28 -0.709 10.458 -1.262 1.00 35.31 O ATOM 355 CB ASP A 28 -3.373 9.698 -3.193 1.00 31.23 C ATOM 356 CG ASP A 28 -3.424 8.203 -3.180 1.00 14.53 C ATOM 357 OD1 ASP A 28 -4.482 7.635 -2.872 1.00 64.14 O ATOM 358 OD2 ASP A 28 -2.395 7.585 -3.490 1.00 21.32 O ATOM 0 H ASP A 28 -2.494 11.985 -2.961 1.00 50.44 H new ATOM 0 HA ASP A 28 -3.843 10.124 -1.123 1.00 15.22 H new ATOM 0 HB2 ASP A 28 -4.335 10.078 -3.537 1.00 31.23 H new ATOM 0 HB3 ASP A 28 -2.626 10.017 -3.920 1.00 31.23 H new ATOM 363 N SER A 29 -1.764 8.566 -0.760 1.00 61.11 N ATOM 364 CA SER A 29 -0.573 7.902 -0.261 1.00 11.11 C ATOM 365 C SER A 29 -0.498 6.487 -0.850 1.00 63.43 C ATOM 366 O SER A 29 -1.519 5.857 -1.068 1.00 4.04 O ATOM 367 CB SER A 29 -0.587 7.863 1.268 1.00 41.30 C ATOM 368 OG SER A 29 -0.595 9.184 1.811 1.00 54.14 O ATOM 0 H SER A 29 -2.614 8.008 -0.683 1.00 61.11 H new ATOM 0 HA SER A 29 0.312 8.458 -0.570 1.00 11.11 H new ATOM 0 HB2 SER A 29 -1.465 7.318 1.614 1.00 41.30 H new ATOM 0 HB3 SER A 29 0.287 7.322 1.630 1.00 41.30 H new ATOM 0 HG SER A 29 -0.606 9.135 2.790 1.00 54.14 H new ATOM 374 N LEU A 30 0.702 6.002 -1.084 1.00 71.35 N ATOM 375 CA LEU A 30 0.905 4.725 -1.766 1.00 23.31 C ATOM 376 C LEU A 30 1.274 3.618 -0.801 1.00 53.22 C ATOM 377 O LEU A 30 2.054 3.827 0.119 1.00 52.31 O ATOM 378 CB LEU A 30 2.012 4.875 -2.808 1.00 25.41 C ATOM 379 CG LEU A 30 1.712 5.811 -3.977 1.00 3.23 C ATOM 380 CD1 LEU A 30 2.993 6.220 -4.695 1.00 14.44 C ATOM 381 CD2 LEU A 30 0.845 5.076 -4.950 1.00 22.22 C ATOM 0 H LEU A 30 1.565 6.472 -0.812 1.00 71.35 H new ATOM 0 HA LEU A 30 -0.036 4.452 -2.244 1.00 23.31 H new ATOM 0 HB2 LEU A 30 2.911 5.232 -2.305 1.00 25.41 H new ATOM 0 HB3 LEU A 30 2.242 3.888 -3.209 1.00 25.41 H new ATOM 0 HG LEU A 30 1.222 6.707 -3.596 1.00 3.23 H new ATOM 0 HD11 LEU A 30 2.749 6.886 -5.523 1.00 14.44 H new ATOM 0 HD12 LEU A 30 3.653 6.735 -3.997 1.00 14.44 H new ATOM 0 HD13 LEU A 30 3.494 5.332 -5.080 1.00 14.44 H new ATOM 0 HD21 LEU A 30 0.616 5.725 -5.796 1.00 22.22 H new ATOM 0 HD22 LEU A 30 1.368 4.188 -5.305 1.00 22.22 H new ATOM 0 HD23 LEU A 30 -0.082 4.779 -4.459 1.00 22.22 H new ATOM 389 N ALA A 31 0.727 2.440 -1.015 1.00 23.43 N ATOM 390 CA ALA A 31 1.057 1.286 -0.194 1.00 70.42 C ATOM 391 C ALA A 31 1.318 0.071 -1.047 1.00 64.11 C ATOM 392 O ALA A 31 0.833 -0.023 -2.175 1.00 43.04 O ATOM 393 CB ALA A 31 -0.038 0.980 0.805 1.00 54.55 C ATOM 0 H ALA A 31 0.048 2.252 -1.753 1.00 23.43 H new ATOM 0 HA ALA A 31 1.965 1.537 0.355 1.00 70.42 H new ATOM 0 HB1 ALA A 31 0.245 0.112 1.400 1.00 54.55 H new ATOM 0 HB2 ALA A 31 -0.182 1.838 1.461 1.00 54.55 H new ATOM 0 HB3 ALA A 31 -0.966 0.769 0.274 1.00 54.55 H new ATOM 399 N HIS A 32 2.117 -0.829 -0.523 1.00 42.32 N ATOM 400 CA HIS A 32 2.436 -2.096 -1.157 1.00 33.11 C ATOM 401 C HIS A 32 3.186 -2.954 -0.171 1.00 75.20 C ATOM 402 O HIS A 32 3.774 -2.437 0.776 1.00 72.52 O ATOM 403 CB HIS A 32 3.259 -1.916 -2.458 1.00 71.44 C ATOM 404 CG HIS A 32 4.567 -1.196 -2.288 1.00 1.42 C ATOM 405 ND1 HIS A 32 5.796 -1.812 -2.412 1.00 30.33 N ATOM 406 CD2 HIS A 32 4.831 0.110 -2.058 1.00 24.50 C ATOM 407 CE1 HIS A 32 6.740 -0.926 -2.270 1.00 12.35 C ATOM 408 NE2 HIS A 32 6.188 0.249 -2.054 1.00 15.32 N ATOM 0 H HIS A 32 2.577 -0.701 0.378 1.00 42.32 H new ATOM 0 HA HIS A 32 1.503 -2.579 -1.447 1.00 33.11 H new ATOM 0 HB2 HIS A 32 3.456 -2.900 -2.885 1.00 71.44 H new ATOM 0 HB3 HIS A 32 2.653 -1.371 -3.181 1.00 71.44 H new ATOM 0 HD2 HIS A 32 4.105 0.895 -1.906 1.00 24.50 H new ATOM 0 HE1 HIS A 32 7.801 -1.123 -2.321 1.00 12.35 H new ATOM 0 HE2 HIS A 32 6.693 1.123 -1.907 1.00 15.32 H new ATOM 417 N CYS A 33 3.180 -4.227 -0.380 1.00 11.12 N ATOM 418 CA CYS A 33 3.855 -5.123 0.514 1.00 73.45 C ATOM 419 C CYS A 33 5.210 -5.505 -0.085 1.00 4.21 C ATOM 420 O CYS A 33 5.400 -5.420 -1.306 1.00 34.55 O ATOM 421 CB CYS A 33 3.009 -6.370 0.710 1.00 3.52 C ATOM 422 SG CYS A 33 1.280 -6.051 1.105 1.00 4.42 S ATOM 0 H CYS A 33 2.713 -4.679 -1.166 1.00 11.12 H new ATOM 0 HA CYS A 33 4.009 -4.638 1.478 1.00 73.45 H new ATOM 0 HB2 CYS A 33 3.055 -6.971 -0.198 1.00 3.52 H new ATOM 0 HB3 CYS A 33 3.446 -6.967 1.510 1.00 3.52 H new ATOM 0 HG CYS A 33 0.608 -7.162 1.040 1.00 4.42 H new ATOM 428 N ILE A 34 6.143 -5.872 0.773 1.00 72.32 N ATOM 429 CA ILE A 34 7.479 -6.341 0.394 1.00 21.51 C ATOM 430 C ILE A 34 7.958 -7.316 1.449 1.00 41.21 C ATOM 431 O ILE A 34 7.270 -7.535 2.441 1.00 51.20 O ATOM 432 CB ILE A 34 8.559 -5.223 0.238 1.00 1.23 C ATOM 433 CG1 ILE A 34 8.742 -4.428 1.528 1.00 45.23 C ATOM 434 CG2 ILE A 34 8.265 -4.300 -0.945 1.00 25.11 C ATOM 435 CD1 ILE A 34 9.903 -3.472 1.464 1.00 54.51 C ATOM 0 H ILE A 34 5.997 -5.855 1.782 1.00 72.32 H new ATOM 0 HA ILE A 34 7.368 -6.792 -0.592 1.00 21.51 H new ATOM 0 HB ILE A 34 9.502 -5.728 0.027 1.00 1.23 H new ATOM 0 HG12 ILE A 34 7.829 -3.870 1.738 1.00 45.23 H new ATOM 0 HG13 ILE A 34 8.892 -5.119 2.357 1.00 45.23 H new ATOM 0 HG21 ILE A 34 9.042 -3.539 -1.014 1.00 25.11 H new ATOM 0 HG22 ILE A 34 8.245 -4.883 -1.866 1.00 25.11 H new ATOM 0 HG23 ILE A 34 7.298 -3.819 -0.800 1.00 25.11 H new ATOM 0 HD11 ILE A 34 9.984 -2.935 2.409 1.00 54.51 H new ATOM 0 HD12 ILE A 34 10.823 -4.028 1.283 1.00 54.51 H new ATOM 0 HD13 ILE A 34 9.744 -2.760 0.654 1.00 54.51 H new ATOM 442 N SER A 35 9.104 -7.903 1.244 1.00 75.24 N ATOM 443 CA SER A 35 9.650 -8.840 2.196 1.00 75.21 C ATOM 444 C SER A 35 10.492 -8.098 3.245 1.00 43.14 C ATOM 445 O SER A 35 10.941 -6.962 3.008 1.00 45.24 O ATOM 446 CB SER A 35 10.507 -9.865 1.446 1.00 71.23 C ATOM 447 OG SER A 35 11.413 -9.219 0.538 1.00 74.22 O ATOM 0 H SER A 35 9.685 -7.750 0.420 1.00 75.24 H new ATOM 0 HA SER A 35 8.840 -9.354 2.714 1.00 75.21 H new ATOM 0 HB2 SER A 35 11.070 -10.465 2.161 1.00 71.23 H new ATOM 0 HB3 SER A 35 9.862 -10.549 0.895 1.00 71.23 H new ATOM 0 HG SER A 35 12.054 -9.875 0.194 1.00 74.22 H new ATOM 453 N GLU A 36 10.701 -8.739 4.393 1.00 22.12 N ATOM 454 CA GLU A 36 11.447 -8.154 5.514 1.00 63.02 C ATOM 455 C GLU A 36 12.863 -7.839 5.116 1.00 64.32 C ATOM 456 O GLU A 36 13.393 -6.811 5.488 1.00 41.54 O ATOM 457 CB GLU A 36 11.454 -9.108 6.698 1.00 5.41 C ATOM 458 CG GLU A 36 12.105 -8.561 7.957 1.00 53.55 C ATOM 459 CD GLU A 36 12.170 -9.588 9.058 1.00 52.14 C ATOM 460 OE1 GLU A 36 11.228 -9.690 9.851 1.00 62.21 O ATOM 461 OE2 GLU A 36 13.180 -10.316 9.136 1.00 21.03 O ATOM 0 H GLU A 36 10.358 -9.682 4.576 1.00 22.12 H new ATOM 0 HA GLU A 36 10.950 -7.226 5.797 1.00 63.02 H new ATOM 0 HB2 GLU A 36 10.425 -9.384 6.929 1.00 5.41 H new ATOM 0 HB3 GLU A 36 11.972 -10.022 6.406 1.00 5.41 H new ATOM 0 HG2 GLU A 36 13.113 -8.218 7.723 1.00 53.55 H new ATOM 0 HG3 GLU A 36 11.545 -7.693 8.305 1.00 53.55 H new ATOM 468 N ASP A 37 13.465 -8.719 4.338 1.00 41.10 N ATOM 469 CA ASP A 37 14.855 -8.532 3.910 1.00 54.12 C ATOM 470 C ASP A 37 14.934 -7.436 2.840 1.00 53.44 C ATOM 471 O ASP A 37 15.999 -6.882 2.558 1.00 71.04 O ATOM 472 CB ASP A 37 15.438 -9.850 3.395 1.00 31.02 C ATOM 473 CG ASP A 37 16.912 -9.757 3.082 1.00 11.31 C ATOM 474 OD1 ASP A 37 17.728 -9.876 4.010 1.00 23.34 O ATOM 475 OD2 ASP A 37 17.266 -9.570 1.913 1.00 11.43 O ATOM 0 H ASP A 37 13.024 -9.569 3.987 1.00 41.10 H new ATOM 0 HA ASP A 37 15.450 -8.216 4.767 1.00 54.12 H new ATOM 0 HB2 ASP A 37 15.278 -10.628 4.141 1.00 31.02 H new ATOM 0 HB3 ASP A 37 14.899 -10.154 2.497 1.00 31.02 H new ATOM 480 N CYS A 38 13.770 -7.108 2.300 1.00 51.13 N ATOM 481 CA CYS A 38 13.599 -6.091 1.299 1.00 41.33 C ATOM 482 C CYS A 38 14.260 -6.427 -0.021 1.00 14.21 C ATOM 483 O CYS A 38 15.295 -5.867 -0.398 1.00 0.01 O ATOM 484 CB CYS A 38 13.958 -4.694 1.818 1.00 51.12 C ATOM 485 SG CYS A 38 12.956 -4.203 3.237 1.00 64.12 S ATOM 0 H CYS A 38 12.896 -7.563 2.562 1.00 51.13 H new ATOM 0 HA CYS A 38 12.532 -6.066 1.078 1.00 41.33 H new ATOM 0 HB2 CYS A 38 15.011 -4.674 2.097 1.00 51.12 H new ATOM 0 HB3 CYS A 38 13.827 -3.968 1.016 1.00 51.12 H new ATOM 0 HG CYS A 38 12.042 -5.102 3.455 1.00 64.12 H new ATOM 491 N ARG A 39 13.690 -7.407 -0.679 1.00 21.11 N ATOM 492 CA ARG A 39 14.081 -7.774 -1.996 1.00 51.14 C ATOM 493 C ARG A 39 12.849 -7.639 -2.852 1.00 22.11 C ATOM 494 O ARG A 39 12.070 -8.575 -2.994 1.00 11.21 O ATOM 495 CB ARG A 39 14.624 -9.206 -2.039 1.00 45.44 C ATOM 496 CG ARG A 39 15.799 -9.443 -1.106 1.00 35.00 C ATOM 497 CD ARG A 39 16.322 -10.868 -1.187 1.00 42.34 C ATOM 498 NE ARG A 39 17.381 -11.086 -0.199 1.00 25.14 N ATOM 499 CZ ARG A 39 18.257 -12.091 -0.178 1.00 44.42 C ATOM 500 NH1 ARG A 39 18.209 -13.056 -1.096 1.00 21.33 N ATOM 501 NH2 ARG A 39 19.177 -12.131 0.778 1.00 43.21 N ATOM 0 H ARG A 39 12.931 -7.973 -0.299 1.00 21.11 H new ATOM 0 HA ARG A 39 14.886 -7.134 -2.356 1.00 51.14 H new ATOM 0 HB2 ARG A 39 13.822 -9.897 -1.781 1.00 45.44 H new ATOM 0 HB3 ARG A 39 14.929 -9.439 -3.059 1.00 45.44 H new ATOM 0 HG2 ARG A 39 16.602 -8.749 -1.353 1.00 35.00 H new ATOM 0 HG3 ARG A 39 15.496 -9.227 -0.081 1.00 35.00 H new ATOM 0 HD2 ARG A 39 15.507 -11.571 -1.015 1.00 42.34 H new ATOM 0 HD3 ARG A 39 16.706 -11.064 -2.188 1.00 42.34 H new ATOM 0 HE ARG A 39 17.456 -10.398 0.550 1.00 25.14 H new ATOM 0 HH11 ARG A 39 17.496 -13.031 -1.825 1.00 21.33 H new ATOM 0 HH12 ARG A 39 18.885 -13.819 -1.069 1.00 21.33 H new ATOM 0 HH21 ARG A 39 19.209 -11.398 1.486 1.00 43.21 H new ATOM 0 HH22 ARG A 39 19.852 -12.895 0.804 1.00 43.21 H new ATOM 513 N MET A 40 12.610 -6.433 -3.310 1.00 64.32 N ATOM 514 CA MET A 40 11.403 -6.122 -4.050 1.00 71.45 C ATOM 515 C MET A 40 11.652 -6.181 -5.560 1.00 15.21 C ATOM 516 O MET A 40 10.771 -5.835 -6.366 1.00 71.31 O ATOM 517 CB MET A 40 10.852 -4.735 -3.644 1.00 11.24 C ATOM 518 CG MET A 40 11.613 -3.507 -4.182 1.00 2.14 C ATOM 519 SD MET A 40 13.296 -3.314 -3.544 1.00 61.40 S ATOM 520 CE MET A 40 12.964 -2.797 -1.859 1.00 23.11 C ATOM 0 H MET A 40 13.241 -5.642 -3.183 1.00 64.32 H new ATOM 0 HA MET A 40 10.655 -6.875 -3.801 1.00 71.45 H new ATOM 0 HB2 MET A 40 9.817 -4.668 -3.979 1.00 11.24 H new ATOM 0 HB3 MET A 40 10.839 -4.678 -2.556 1.00 11.24 H new ATOM 0 HG2 MET A 40 11.657 -3.573 -5.269 1.00 2.14 H new ATOM 0 HG3 MET A 40 11.043 -2.610 -3.940 1.00 2.14 H new ATOM 0 HE1 MET A 40 13.901 -2.535 -1.367 1.00 23.11 H new ATOM 0 HE2 MET A 40 12.304 -1.929 -1.868 1.00 23.11 H new ATOM 0 HE3 MET A 40 12.485 -3.612 -1.316 1.00 23.11 H new ATOM 530 N GLY A 41 12.831 -6.652 -5.921 1.00 34.31 N ATOM 531 CA GLY A 41 13.317 -6.645 -7.290 1.00 41.44 C ATOM 532 C GLY A 41 12.665 -7.638 -8.225 1.00 30.23 C ATOM 533 O GLY A 41 13.360 -8.473 -8.824 1.00 41.24 O ATOM 0 H GLY A 41 13.491 -7.058 -5.258 1.00 34.31 H new ATOM 0 HA2 GLY A 41 13.179 -5.644 -7.699 1.00 41.44 H new ATOM 0 HA3 GLY A 41 14.390 -6.838 -7.276 1.00 41.44 H new ATOM 537 N ALA A 42 11.359 -7.564 -8.355 1.00 23.20 N ATOM 538 CA ALA A 42 10.642 -8.416 -9.299 1.00 3.14 C ATOM 539 C ALA A 42 9.252 -7.876 -9.671 1.00 34.11 C ATOM 540 O ALA A 42 8.534 -8.498 -10.466 1.00 73.44 O ATOM 541 CB ALA A 42 10.540 -9.842 -8.779 1.00 72.34 C ATOM 0 H ALA A 42 10.766 -6.926 -7.824 1.00 23.20 H new ATOM 0 HA ALA A 42 11.232 -8.413 -10.216 1.00 3.14 H new ATOM 0 HB1 ALA A 42 10.001 -10.455 -9.502 1.00 72.34 H new ATOM 0 HB2 ALA A 42 11.541 -10.248 -8.633 1.00 72.34 H new ATOM 0 HB3 ALA A 42 10.005 -9.846 -7.830 1.00 72.34 H new ATOM 547 N GLY A 43 8.871 -6.735 -9.129 1.00 63.52 N ATOM 548 CA GLY A 43 7.547 -6.200 -9.427 1.00 70.42 C ATOM 549 C GLY A 43 7.492 -4.696 -9.329 1.00 64.01 C ATOM 550 O GLY A 43 8.520 -4.048 -9.295 1.00 10.43 O ATOM 0 H GLY A 43 9.438 -6.170 -8.497 1.00 63.52 H new ATOM 0 HA2 GLY A 43 7.254 -6.506 -10.431 1.00 70.42 H new ATOM 0 HA3 GLY A 43 6.821 -6.632 -8.738 1.00 70.42 H new ATOM 554 N ILE A 44 6.282 -4.148 -9.246 1.00 53.05 N ATOM 555 CA ILE A 44 6.040 -2.684 -9.154 1.00 74.01 C ATOM 556 C ILE A 44 6.754 -2.062 -7.936 1.00 50.20 C ATOM 557 O ILE A 44 6.991 -0.859 -7.875 1.00 15.13 O ATOM 558 CB ILE A 44 4.495 -2.357 -9.132 1.00 42.50 C ATOM 559 CG1 ILE A 44 4.229 -0.841 -9.030 1.00 11.42 C ATOM 560 CG2 ILE A 44 3.786 -3.104 -8.014 1.00 41.13 C ATOM 561 CD1 ILE A 44 2.766 -0.472 -8.958 1.00 34.14 C ATOM 0 H ILE A 44 5.425 -4.701 -9.240 1.00 53.05 H new ATOM 0 HA ILE A 44 6.466 -2.232 -10.050 1.00 74.01 H new ATOM 0 HB ILE A 44 4.086 -2.700 -10.082 1.00 42.50 H new ATOM 0 HG12 ILE A 44 4.734 -0.454 -8.145 1.00 11.42 H new ATOM 0 HG13 ILE A 44 4.675 -0.346 -9.893 1.00 11.42 H new ATOM 0 HG21 ILE A 44 2.725 -2.856 -8.027 1.00 41.13 H new ATOM 0 HG22 ILE A 44 3.910 -4.177 -8.158 1.00 41.13 H new ATOM 0 HG23 ILE A 44 4.214 -2.815 -7.054 1.00 41.13 H new ATOM 0 HD11 ILE A 44 2.667 0.611 -8.888 1.00 34.14 H new ATOM 0 HD12 ILE A 44 2.257 -0.826 -9.855 1.00 34.14 H new ATOM 0 HD13 ILE A 44 2.317 -0.935 -8.079 1.00 34.14 H new ATOM 568 N ALA A 45 7.110 -2.898 -6.990 1.00 54.12 N ATOM 569 CA ALA A 45 7.846 -2.479 -5.829 1.00 1.35 C ATOM 570 C ALA A 45 9.222 -1.901 -6.218 1.00 45.25 C ATOM 571 O ALA A 45 9.765 -1.051 -5.503 1.00 24.31 O ATOM 572 CB ALA A 45 7.956 -3.618 -4.849 1.00 3.41 C ATOM 0 H ALA A 45 6.894 -3.895 -7.008 1.00 54.12 H new ATOM 0 HA ALA A 45 7.303 -1.672 -5.338 1.00 1.35 H new ATOM 0 HB1 ALA A 45 8.515 -3.291 -3.972 1.00 3.41 H new ATOM 0 HB2 ALA A 45 6.958 -3.934 -4.545 1.00 3.41 H new ATOM 0 HB3 ALA A 45 8.474 -4.454 -5.319 1.00 3.41 H new ATOM 578 N VAL A 46 9.770 -2.351 -7.362 1.00 13.24 N ATOM 579 CA VAL A 46 11.046 -1.830 -7.873 1.00 24.45 C ATOM 580 C VAL A 46 10.872 -0.357 -8.222 1.00 14.03 C ATOM 581 O VAL A 46 11.721 0.474 -7.903 1.00 61.41 O ATOM 582 CB VAL A 46 11.517 -2.576 -9.158 1.00 4.33 C ATOM 583 CG1 VAL A 46 12.894 -2.098 -9.603 1.00 42.31 C ATOM 584 CG2 VAL A 46 11.508 -4.070 -8.956 1.00 31.33 C ATOM 0 H VAL A 46 9.348 -3.072 -7.947 1.00 13.24 H new ATOM 0 HA VAL A 46 11.795 -1.977 -7.095 1.00 24.45 H new ATOM 0 HB VAL A 46 10.808 -2.339 -9.951 1.00 4.33 H new ATOM 0 HG11 VAL A 46 13.194 -2.638 -10.501 1.00 42.31 H new ATOM 0 HG12 VAL A 46 12.857 -1.030 -9.817 1.00 42.31 H new ATOM 0 HG13 VAL A 46 13.618 -2.284 -8.810 1.00 42.31 H new ATOM 0 HG21 VAL A 46 11.841 -4.563 -9.869 1.00 31.33 H new ATOM 0 HG22 VAL A 46 12.179 -4.331 -8.138 1.00 31.33 H new ATOM 0 HG23 VAL A 46 10.497 -4.398 -8.715 1.00 31.33 H new ATOM 590 N LEU A 47 9.744 -0.061 -8.855 1.00 75.34 N ATOM 591 CA LEU A 47 9.377 1.287 -9.265 1.00 74.31 C ATOM 592 C LEU A 47 9.351 2.233 -8.064 1.00 73.51 C ATOM 593 O LEU A 47 9.894 3.330 -8.124 1.00 35.51 O ATOM 594 CB LEU A 47 8.020 1.256 -9.990 1.00 20.04 C ATOM 595 CG LEU A 47 8.000 0.534 -11.354 1.00 23.34 C ATOM 596 CD1 LEU A 47 6.576 0.316 -11.838 1.00 4.33 C ATOM 597 CD2 LEU A 47 8.738 1.363 -12.376 1.00 13.32 C ATOM 0 H LEU A 47 9.047 -0.764 -9.102 1.00 75.34 H new ATOM 0 HA LEU A 47 10.128 1.667 -9.957 1.00 74.31 H new ATOM 0 HB2 LEU A 47 7.292 0.776 -9.336 1.00 20.04 H new ATOM 0 HB3 LEU A 47 7.686 2.283 -10.139 1.00 20.04 H new ATOM 0 HG LEU A 47 8.483 -0.435 -11.230 1.00 23.34 H new ATOM 0 HD11 LEU A 47 6.593 -0.195 -12.801 1.00 4.33 H new ATOM 0 HD12 LEU A 47 6.035 -0.293 -11.114 1.00 4.33 H new ATOM 0 HD13 LEU A 47 6.077 1.279 -11.947 1.00 4.33 H new ATOM 0 HD21 LEU A 47 8.723 0.852 -13.339 1.00 13.32 H new ATOM 0 HD22 LEU A 47 8.255 2.335 -12.474 1.00 13.32 H new ATOM 0 HD23 LEU A 47 9.770 1.502 -12.055 1.00 13.32 H new ATOM 605 N PHE A 48 8.752 1.784 -6.966 1.00 45.54 N ATOM 606 CA PHE A 48 8.734 2.572 -5.731 1.00 51.13 C ATOM 607 C PHE A 48 10.139 2.778 -5.188 1.00 24.41 C ATOM 608 O PHE A 48 10.491 3.874 -4.746 1.00 40.24 O ATOM 609 CB PHE A 48 7.888 1.913 -4.645 1.00 63.25 C ATOM 610 CG PHE A 48 6.409 1.921 -4.872 1.00 1.31 C ATOM 611 CD1 PHE A 48 5.641 2.962 -4.391 1.00 73.33 C ATOM 612 CD2 PHE A 48 5.775 0.883 -5.527 1.00 75.13 C ATOM 613 CE1 PHE A 48 4.301 2.973 -4.554 1.00 24.24 C ATOM 614 CE2 PHE A 48 4.405 0.894 -5.688 1.00 64.11 C ATOM 615 CZ PHE A 48 3.675 1.953 -5.194 1.00 61.04 C ATOM 0 H PHE A 48 8.274 0.885 -6.902 1.00 45.54 H new ATOM 0 HA PHE A 48 8.293 3.534 -5.991 1.00 51.13 H new ATOM 0 HB2 PHE A 48 8.213 0.878 -4.536 1.00 63.25 H new ATOM 0 HB3 PHE A 48 8.093 2.413 -3.698 1.00 63.25 H new ATOM 0 HD1 PHE A 48 6.120 3.781 -3.876 1.00 73.33 H new ATOM 0 HD2 PHE A 48 6.355 0.059 -5.915 1.00 75.13 H new ATOM 0 HE1 PHE A 48 3.722 3.801 -4.172 1.00 24.24 H new ATOM 0 HE2 PHE A 48 3.909 0.080 -6.196 1.00 64.11 H new ATOM 0 HZ PHE A 48 2.602 1.971 -5.316 1.00 61.04 H new ATOM 625 N LYS A 49 10.943 1.724 -5.234 1.00 53.02 N ATOM 626 CA LYS A 49 12.285 1.768 -4.722 1.00 75.43 C ATOM 627 C LYS A 49 13.115 2.790 -5.517 1.00 71.22 C ATOM 628 O LYS A 49 13.870 3.578 -4.941 1.00 43.15 O ATOM 629 CB LYS A 49 12.895 0.339 -4.738 1.00 12.31 C ATOM 630 CG LYS A 49 14.268 0.211 -4.078 1.00 4.33 C ATOM 631 CD LYS A 49 15.424 0.671 -4.957 1.00 13.52 C ATOM 632 CE LYS A 49 15.695 -0.308 -6.086 1.00 72.32 C ATOM 633 NZ LYS A 49 16.083 -1.642 -5.570 1.00 52.02 N ATOM 0 H LYS A 49 10.674 0.822 -5.628 1.00 53.02 H new ATOM 0 HA LYS A 49 12.287 2.103 -3.685 1.00 75.43 H new ATOM 0 HB2 LYS A 49 12.204 -0.339 -4.237 1.00 12.31 H new ATOM 0 HB3 LYS A 49 12.975 0.007 -5.773 1.00 12.31 H new ATOM 0 HG2 LYS A 49 14.272 0.793 -3.156 1.00 4.33 H new ATOM 0 HG3 LYS A 49 14.430 -0.830 -3.799 1.00 4.33 H new ATOM 0 HD2 LYS A 49 15.197 1.652 -5.373 1.00 13.52 H new ATOM 0 HD3 LYS A 49 16.322 0.783 -4.349 1.00 13.52 H new ATOM 0 HE2 LYS A 49 14.805 -0.403 -6.708 1.00 72.32 H new ATOM 0 HE3 LYS A 49 16.489 0.081 -6.723 1.00 72.32 H new ATOM 0 HZ1 LYS A 49 16.592 -2.166 -6.310 1.00 52.02 H new ATOM 0 HZ2 LYS A 49 16.699 -1.527 -4.740 1.00 52.02 H new ATOM 0 HZ3 LYS A 49 15.230 -2.170 -5.297 1.00 52.02 H new ATOM 647 N LYS A 50 12.946 2.774 -6.826 1.00 72.51 N ATOM 648 CA LYS A 50 13.609 3.714 -7.720 1.00 73.35 C ATOM 649 C LYS A 50 13.140 5.152 -7.471 1.00 40.43 C ATOM 650 O LYS A 50 13.945 6.048 -7.224 1.00 52.45 O ATOM 651 CB LYS A 50 13.305 3.354 -9.181 1.00 65.21 C ATOM 652 CG LYS A 50 13.837 2.015 -9.661 1.00 75.34 C ATOM 653 CD LYS A 50 15.349 1.967 -9.599 1.00 44.54 C ATOM 654 CE LYS A 50 15.891 0.652 -10.145 1.00 63.04 C ATOM 655 NZ LYS A 50 15.541 0.442 -11.576 1.00 42.13 N ATOM 0 H LYS A 50 12.342 2.106 -7.305 1.00 72.51 H new ATOM 0 HA LYS A 50 14.679 3.649 -7.524 1.00 73.35 H new ATOM 0 HB2 LYS A 50 12.224 3.364 -9.319 1.00 65.21 H new ATOM 0 HB3 LYS A 50 13.715 4.136 -9.820 1.00 65.21 H new ATOM 0 HG2 LYS A 50 13.421 1.216 -9.048 1.00 75.34 H new ATOM 0 HG3 LYS A 50 13.507 1.837 -10.685 1.00 75.34 H new ATOM 0 HD2 LYS A 50 15.764 2.797 -10.170 1.00 44.54 H new ATOM 0 HD3 LYS A 50 15.676 2.095 -8.567 1.00 44.54 H new ATOM 0 HE2 LYS A 50 16.975 0.635 -10.033 1.00 63.04 H new ATOM 0 HE3 LYS A 50 15.497 -0.174 -9.553 1.00 63.04 H new ATOM 0 HZ1 LYS A 50 16.118 -0.331 -11.965 1.00 42.13 H new ATOM 0 HZ2 LYS A 50 14.534 0.195 -11.654 1.00 42.13 H new ATOM 0 HZ3 LYS A 50 15.726 1.315 -12.110 1.00 42.13 H new ATOM 669 N LYS A 51 11.841 5.346 -7.522 1.00 44.02 N ATOM 670 CA LYS A 51 11.246 6.678 -7.433 1.00 72.13 C ATOM 671 C LYS A 51 11.377 7.328 -6.058 1.00 63.03 C ATOM 672 O LYS A 51 11.553 8.542 -5.964 1.00 33.23 O ATOM 673 CB LYS A 51 9.772 6.646 -7.848 1.00 30.51 C ATOM 674 CG LYS A 51 9.529 6.220 -9.287 1.00 41.23 C ATOM 675 CD LYS A 51 8.041 6.155 -9.588 1.00 1.44 C ATOM 676 CE LYS A 51 7.762 5.698 -11.013 1.00 63.14 C ATOM 677 NZ LYS A 51 8.290 6.636 -12.026 1.00 73.04 N ATOM 0 H LYS A 51 11.161 4.593 -7.626 1.00 44.02 H new ATOM 0 HA LYS A 51 11.818 7.295 -8.126 1.00 72.13 H new ATOM 0 HB2 LYS A 51 9.236 5.966 -7.186 1.00 30.51 H new ATOM 0 HB3 LYS A 51 9.345 7.638 -7.699 1.00 30.51 H new ATOM 0 HG2 LYS A 51 10.011 6.924 -9.965 1.00 41.23 H new ATOM 0 HG3 LYS A 51 9.983 5.245 -9.464 1.00 41.23 H new ATOM 0 HD2 LYS A 51 7.560 5.471 -8.888 1.00 1.44 H new ATOM 0 HD3 LYS A 51 7.597 7.138 -9.430 1.00 1.44 H new ATOM 0 HE2 LYS A 51 8.205 4.714 -11.168 1.00 63.14 H new ATOM 0 HE3 LYS A 51 6.686 5.588 -11.151 1.00 63.14 H new ATOM 0 HZ1 LYS A 51 7.972 6.341 -12.971 1.00 73.04 H new ATOM 0 HZ2 LYS A 51 7.941 7.595 -11.827 1.00 73.04 H new ATOM 0 HZ3 LYS A 51 9.330 6.633 -11.994 1.00 73.04 H new ATOM 691 N PHE A 52 11.289 6.553 -5.004 1.00 52.31 N ATOM 692 CA PHE A 52 11.285 7.144 -3.674 1.00 40.05 C ATOM 693 C PHE A 52 12.577 6.926 -2.898 1.00 14.24 C ATOM 694 O PHE A 52 12.852 7.659 -1.955 1.00 4.35 O ATOM 695 CB PHE A 52 10.068 6.671 -2.872 1.00 1.33 C ATOM 696 CG PHE A 52 8.760 7.027 -3.530 1.00 14.14 C ATOM 697 CD1 PHE A 52 8.259 8.318 -3.459 1.00 11.41 C ATOM 698 CD2 PHE A 52 8.042 6.078 -4.239 1.00 71.44 C ATOM 699 CE1 PHE A 52 7.070 8.652 -4.072 1.00 13.34 C ATOM 700 CE2 PHE A 52 6.855 6.407 -4.858 1.00 24.22 C ATOM 701 CZ PHE A 52 6.367 7.696 -4.776 1.00 41.15 C ATOM 0 H PHE A 52 11.220 5.536 -5.030 1.00 52.31 H new ATOM 0 HA PHE A 52 11.213 8.221 -3.824 1.00 40.05 H new ATOM 0 HB2 PHE A 52 10.122 5.590 -2.743 1.00 1.33 H new ATOM 0 HB3 PHE A 52 10.101 7.113 -1.876 1.00 1.33 H new ATOM 0 HD1 PHE A 52 8.808 9.073 -2.916 1.00 11.41 H new ATOM 0 HD2 PHE A 52 8.417 5.067 -4.308 1.00 71.44 H new ATOM 0 HE1 PHE A 52 6.690 9.660 -4.001 1.00 13.34 H new ATOM 0 HE2 PHE A 52 6.307 5.656 -5.407 1.00 24.22 H new ATOM 0 HZ PHE A 52 5.438 7.955 -5.261 1.00 41.15 H new ATOM 711 N GLY A 53 13.369 5.943 -3.294 1.00 40.33 N ATOM 712 CA GLY A 53 14.604 5.661 -2.571 1.00 13.13 C ATOM 713 C GLY A 53 14.311 5.101 -1.194 1.00 31.10 C ATOM 714 O GLY A 53 14.646 5.705 -0.170 1.00 43.14 O ATOM 0 H GLY A 53 13.187 5.337 -4.094 1.00 40.33 H new ATOM 0 HA2 GLY A 53 15.206 4.950 -3.136 1.00 13.13 H new ATOM 0 HA3 GLY A 53 15.192 6.574 -2.479 1.00 13.13 H new ATOM 718 N GLY A 54 13.688 3.950 -1.175 1.00 51.11 N ATOM 719 CA GLY A 54 13.232 3.364 0.061 1.00 41.51 C ATOM 720 C GLY A 54 14.244 2.524 0.825 1.00 41.02 C ATOM 721 O GLY A 54 14.158 2.454 2.047 1.00 32.41 O ATOM 0 H GLY A 54 13.484 3.397 -2.007 1.00 51.11 H new ATOM 0 HA2 GLY A 54 12.892 4.167 0.715 1.00 41.51 H new ATOM 0 HA3 GLY A 54 12.365 2.740 -0.156 1.00 41.51 H new ATOM 725 N VAL A 55 15.213 1.924 0.124 1.00 54.03 N ATOM 726 CA VAL A 55 16.109 0.899 0.730 1.00 1.25 C ATOM 727 C VAL A 55 16.759 1.328 2.050 1.00 14.34 C ATOM 728 O VAL A 55 16.597 0.639 3.065 1.00 13.53 O ATOM 729 CB VAL A 55 17.205 0.402 -0.260 1.00 52.02 C ATOM 730 CG1 VAL A 55 18.130 -0.619 0.402 1.00 4.54 C ATOM 731 CG2 VAL A 55 16.562 -0.216 -1.483 1.00 42.11 C ATOM 0 H VAL A 55 15.406 2.120 -0.858 1.00 54.03 H new ATOM 0 HA VAL A 55 15.438 0.072 0.960 1.00 1.25 H new ATOM 0 HB VAL A 55 17.801 1.265 -0.557 1.00 52.02 H new ATOM 0 HG11 VAL A 55 18.883 -0.946 -0.315 1.00 4.54 H new ATOM 0 HG12 VAL A 55 18.621 -0.162 1.261 1.00 4.54 H new ATOM 0 HG13 VAL A 55 17.546 -1.478 0.732 1.00 4.54 H new ATOM 0 HG21 VAL A 55 17.338 -0.560 -2.167 1.00 42.11 H new ATOM 0 HG22 VAL A 55 15.944 -1.062 -1.181 1.00 42.11 H new ATOM 0 HG23 VAL A 55 15.941 0.527 -1.982 1.00 42.11 H new ATOM 737 N GLN A 56 17.430 2.464 2.068 1.00 11.15 N ATOM 738 CA GLN A 56 18.107 2.874 3.271 1.00 31.41 C ATOM 739 C GLN A 56 17.142 3.256 4.352 1.00 35.23 C ATOM 740 O GLN A 56 17.328 2.902 5.499 1.00 73.12 O ATOM 741 CB GLN A 56 19.071 3.988 3.031 1.00 3.43 C ATOM 742 CG GLN A 56 19.745 4.390 4.304 1.00 53.23 C ATOM 743 CD GLN A 56 20.910 5.232 4.071 1.00 75.13 C ATOM 744 OE1 GLN A 56 20.820 6.454 4.029 1.00 12.10 O ATOM 745 NE2 GLN A 56 22.019 4.592 3.914 1.00 55.30 N ATOM 0 H GLN A 56 17.517 3.104 1.278 1.00 11.15 H new ATOM 0 HA GLN A 56 18.675 2.005 3.604 1.00 31.41 H new ATOM 0 HB2 GLN A 56 19.818 3.677 2.301 1.00 3.43 H new ATOM 0 HB3 GLN A 56 18.546 4.844 2.606 1.00 3.43 H new ATOM 0 HG2 GLN A 56 19.035 4.923 4.936 1.00 53.23 H new ATOM 0 HG3 GLN A 56 20.049 3.497 4.850 1.00 53.23 H new ATOM 0 HE21 GLN A 56 22.031 3.573 3.960 1.00 55.30 H new ATOM 0 HE22 GLN A 56 22.884 5.105 3.744 1.00 55.30 H new ATOM 753 N GLU A 57 16.095 3.947 3.979 1.00 61.31 N ATOM 754 CA GLU A 57 15.098 4.386 4.932 1.00 62.54 C ATOM 755 C GLU A 57 14.441 3.184 5.628 1.00 51.31 C ATOM 756 O GLU A 57 14.117 3.231 6.814 1.00 23.00 O ATOM 757 CB GLU A 57 14.051 5.237 4.248 1.00 20.10 C ATOM 758 CG GLU A 57 14.582 6.491 3.579 1.00 42.10 C ATOM 759 CD GLU A 57 15.291 7.402 4.546 1.00 22.22 C ATOM 760 OE1 GLU A 57 14.624 8.011 5.401 1.00 63.20 O ATOM 761 OE2 GLU A 57 16.525 7.536 4.448 1.00 44.31 O ATOM 0 H GLU A 57 15.907 4.221 3.015 1.00 61.31 H new ATOM 0 HA GLU A 57 15.595 4.990 5.691 1.00 62.54 H new ATOM 0 HB2 GLU A 57 13.544 4.630 3.498 1.00 20.10 H new ATOM 0 HB3 GLU A 57 13.301 5.526 4.984 1.00 20.10 H new ATOM 0 HG2 GLU A 57 15.268 6.210 2.779 1.00 42.10 H new ATOM 0 HG3 GLU A 57 13.756 7.030 3.116 1.00 42.10 H new ATOM 768 N LEU A 58 14.275 2.102 4.892 1.00 2.40 N ATOM 769 CA LEU A 58 13.710 0.886 5.444 1.00 33.31 C ATOM 770 C LEU A 58 14.690 0.236 6.416 1.00 64.40 C ATOM 771 O LEU A 58 14.291 -0.284 7.468 1.00 31.11 O ATOM 772 CB LEU A 58 13.331 -0.087 4.327 1.00 32.24 C ATOM 773 CG LEU A 58 12.302 0.429 3.320 1.00 30.52 C ATOM 774 CD1 LEU A 58 12.033 -0.602 2.248 1.00 2.04 C ATOM 775 CD2 LEU A 58 11.013 0.824 4.016 1.00 65.25 C ATOM 0 H LEU A 58 14.525 2.041 3.905 1.00 2.40 H new ATOM 0 HA LEU A 58 12.804 1.145 5.992 1.00 33.31 H new ATOM 0 HB2 LEU A 58 14.237 -0.361 3.786 1.00 32.24 H new ATOM 0 HB3 LEU A 58 12.943 -0.999 4.781 1.00 32.24 H new ATOM 0 HG LEU A 58 12.717 1.317 2.843 1.00 30.52 H new ATOM 0 HD11 LEU A 58 11.298 -0.212 1.544 1.00 2.04 H new ATOM 0 HD12 LEU A 58 12.959 -0.827 1.719 1.00 2.04 H new ATOM 0 HD13 LEU A 58 11.648 -1.512 2.707 1.00 2.04 H new ATOM 0 HD21 LEU A 58 10.298 1.188 3.278 1.00 65.25 H new ATOM 0 HD22 LEU A 58 10.596 -0.043 4.529 1.00 65.25 H new ATOM 0 HD23 LEU A 58 11.218 1.611 4.741 1.00 65.25 H new ATOM 783 N LEU A 59 15.969 0.293 6.075 1.00 11.31 N ATOM 784 CA LEU A 59 17.028 -0.263 6.915 1.00 54.41 C ATOM 785 C LEU A 59 17.247 0.622 8.138 1.00 11.43 C ATOM 786 O LEU A 59 17.654 0.160 9.199 1.00 24.13 O ATOM 787 CB LEU A 59 18.330 -0.400 6.114 1.00 14.20 C ATOM 788 CG LEU A 59 18.259 -1.287 4.865 1.00 21.14 C ATOM 789 CD1 LEU A 59 19.599 -1.333 4.163 1.00 42.51 C ATOM 790 CD2 LEU A 59 17.794 -2.690 5.217 1.00 71.31 C ATOM 0 H LEU A 59 16.304 0.723 5.213 1.00 11.31 H new ATOM 0 HA LEU A 59 16.724 -1.254 7.251 1.00 54.41 H new ATOM 0 HB2 LEU A 59 18.653 0.596 5.811 1.00 14.20 H new ATOM 0 HB3 LEU A 59 19.100 -0.798 6.775 1.00 14.20 H new ATOM 0 HG LEU A 59 17.528 -0.849 4.185 1.00 21.14 H new ATOM 0 HD11 LEU A 59 19.526 -1.968 3.280 1.00 42.51 H new ATOM 0 HD12 LEU A 59 19.887 -0.326 3.863 1.00 42.51 H new ATOM 0 HD13 LEU A 59 20.351 -1.739 4.840 1.00 42.51 H new ATOM 0 HD21 LEU A 59 17.753 -3.297 4.313 1.00 71.31 H new ATOM 0 HD22 LEU A 59 18.492 -3.138 5.924 1.00 71.31 H new ATOM 0 HD23 LEU A 59 16.803 -2.642 5.668 1.00 71.31 H new ATOM 798 N ASN A 60 16.967 1.897 7.969 1.00 73.34 N ATOM 799 CA ASN A 60 17.073 2.885 9.029 1.00 2.23 C ATOM 800 C ASN A 60 15.949 2.651 10.045 1.00 63.45 C ATOM 801 O ASN A 60 16.146 2.785 11.253 1.00 24.15 O ATOM 802 CB ASN A 60 16.976 4.301 8.410 1.00 42.22 C ATOM 803 CG ASN A 60 17.250 5.452 9.373 1.00 3.41 C ATOM 804 OD1 ASN A 60 17.010 5.373 10.571 1.00 12.41 O ATOM 805 ND2 ASN A 60 17.763 6.532 8.846 1.00 74.15 N ATOM 0 H ASN A 60 16.654 2.285 7.079 1.00 73.34 H new ATOM 0 HA ASN A 60 18.030 2.795 9.543 1.00 2.23 H new ATOM 0 HB2 ASN A 60 17.681 4.367 7.581 1.00 42.22 H new ATOM 0 HB3 ASN A 60 15.978 4.429 7.991 1.00 42.22 H new ATOM 0 HD21 ASN A 60 17.974 7.337 9.436 1.00 74.15 H new ATOM 0 HD22 ASN A 60 17.953 6.570 7.845 1.00 74.15 H new ATOM 811 N GLN A 61 14.770 2.279 9.544 1.00 74.35 N ATOM 812 CA GLN A 61 13.634 1.959 10.408 1.00 1.52 C ATOM 813 C GLN A 61 13.854 0.653 11.158 1.00 43.43 C ATOM 814 O GLN A 61 13.414 0.510 12.300 1.00 50.34 O ATOM 815 CB GLN A 61 12.313 1.883 9.619 1.00 21.21 C ATOM 816 CG GLN A 61 11.794 3.216 9.101 1.00 25.42 C ATOM 817 CD GLN A 61 10.472 3.078 8.364 1.00 72.33 C ATOM 818 OE1 GLN A 61 9.401 3.140 8.961 1.00 30.35 O ATOM 819 NE2 GLN A 61 10.526 2.907 7.075 1.00 11.55 N ATOM 0 H GLN A 61 14.578 2.192 8.546 1.00 74.35 H new ATOM 0 HA GLN A 61 13.559 2.773 11.129 1.00 1.52 H new ATOM 0 HB2 GLN A 61 12.452 1.211 8.772 1.00 21.21 H new ATOM 0 HB3 GLN A 61 11.551 1.437 10.258 1.00 21.21 H new ATOM 0 HG2 GLN A 61 11.670 3.904 9.937 1.00 25.42 H new ATOM 0 HG3 GLN A 61 12.535 3.656 8.433 1.00 25.42 H new ATOM 0 HE21 GLN A 61 11.430 2.859 6.604 1.00 11.55 H new ATOM 0 HE22 GLN A 61 9.665 2.821 6.535 1.00 11.55 H new ATOM 827 N GLN A 62 14.548 -0.290 10.510 1.00 14.10 N ATOM 828 CA GLN A 62 14.782 -1.634 11.056 1.00 43.43 C ATOM 829 C GLN A 62 13.472 -2.360 11.273 1.00 32.11 C ATOM 830 O GLN A 62 13.241 -3.004 12.311 1.00 61.23 O ATOM 831 CB GLN A 62 15.646 -1.625 12.319 1.00 42.30 C ATOM 832 CG GLN A 62 17.044 -1.123 12.067 1.00 44.21 C ATOM 833 CD GLN A 62 17.936 -1.198 13.279 1.00 22.33 C ATOM 834 OE1 GLN A 62 17.486 -1.095 14.423 1.00 4.01 O ATOM 835 NE2 GLN A 62 19.205 -1.384 13.044 1.00 61.53 N ATOM 0 H GLN A 62 14.964 -0.143 9.590 1.00 14.10 H new ATOM 0 HA GLN A 62 15.356 -2.184 10.311 1.00 43.43 H new ATOM 0 HB2 GLN A 62 15.171 -0.999 13.074 1.00 42.30 H new ATOM 0 HB3 GLN A 62 15.695 -2.635 12.727 1.00 42.30 H new ATOM 0 HG2 GLN A 62 17.491 -1.704 11.260 1.00 44.21 H new ATOM 0 HG3 GLN A 62 16.994 -0.089 11.725 1.00 44.21 H new ATOM 0 HE21 GLN A 62 19.539 -1.464 12.084 1.00 61.53 H new ATOM 0 HE22 GLN A 62 19.863 -1.449 13.820 1.00 61.53 H new ATOM 843 N LYS A 63 12.629 -2.249 10.266 1.00 41.31 N ATOM 844 CA LYS A 63 11.347 -2.915 10.203 1.00 51.12 C ATOM 845 C LYS A 63 11.475 -4.450 10.313 1.00 44.21 C ATOM 846 O LYS A 63 12.559 -5.020 10.129 1.00 74.45 O ATOM 847 CB LYS A 63 10.613 -2.492 8.905 1.00 14.22 C ATOM 848 CG LYS A 63 11.538 -2.354 7.678 1.00 2.41 C ATOM 849 CD LYS A 63 12.337 -3.616 7.411 1.00 71.40 C ATOM 850 CE LYS A 63 13.473 -3.344 6.427 1.00 33.21 C ATOM 851 NZ LYS A 63 14.384 -4.502 6.265 1.00 61.03 N ATOM 0 H LYS A 63 12.825 -1.675 9.446 1.00 41.31 H new ATOM 0 HA LYS A 63 10.756 -2.604 11.064 1.00 51.12 H new ATOM 0 HB2 LYS A 63 9.838 -3.226 8.682 1.00 14.22 H new ATOM 0 HB3 LYS A 63 10.111 -1.540 9.077 1.00 14.22 H new ATOM 0 HG2 LYS A 63 10.939 -2.114 6.800 1.00 2.41 H new ATOM 0 HG3 LYS A 63 12.222 -1.520 7.834 1.00 2.41 H new ATOM 0 HD2 LYS A 63 12.745 -3.998 8.347 1.00 71.40 H new ATOM 0 HD3 LYS A 63 11.681 -4.389 7.011 1.00 71.40 H new ATOM 0 HE2 LYS A 63 13.052 -3.081 5.457 1.00 33.21 H new ATOM 0 HE3 LYS A 63 14.046 -2.482 6.770 1.00 33.21 H new ATOM 0 HZ1 LYS A 63 15.246 -4.199 5.769 1.00 61.03 H new ATOM 0 HZ2 LYS A 63 14.638 -4.878 7.201 1.00 61.03 H new ATOM 0 HZ3 LYS A 63 13.908 -5.243 5.712 1.00 61.03 H new ATOM 865 N LYS A 64 10.390 -5.077 10.604 1.00 34.44 N ATOM 866 CA LYS A 64 10.328 -6.517 10.786 1.00 35.24 C ATOM 867 C LYS A 64 9.012 -7.022 10.246 1.00 52.23 C ATOM 868 O LYS A 64 8.099 -6.228 10.001 1.00 23.14 O ATOM 869 CB LYS A 64 10.445 -6.898 12.277 1.00 24.20 C ATOM 870 CG LYS A 64 11.721 -6.427 12.964 1.00 15.20 C ATOM 871 CD LYS A 64 11.719 -6.793 14.432 1.00 21.41 C ATOM 872 CE LYS A 64 12.939 -6.235 15.137 1.00 75.20 C ATOM 873 NZ LYS A 64 12.949 -6.551 16.583 1.00 51.10 N ATOM 0 H LYS A 64 9.492 -4.610 10.729 1.00 34.44 H new ATOM 0 HA LYS A 64 11.162 -6.971 10.251 1.00 35.24 H new ATOM 0 HB2 LYS A 64 9.589 -6.484 12.810 1.00 24.20 H new ATOM 0 HB3 LYS A 64 10.382 -7.983 12.365 1.00 24.20 H new ATOM 0 HG2 LYS A 64 12.587 -6.875 12.476 1.00 15.20 H new ATOM 0 HG3 LYS A 64 11.818 -5.347 12.856 1.00 15.20 H new ATOM 0 HD2 LYS A 64 10.815 -6.408 14.904 1.00 21.41 H new ATOM 0 HD3 LYS A 64 11.698 -7.878 14.539 1.00 21.41 H new ATOM 0 HE2 LYS A 64 13.839 -6.638 14.674 1.00 75.20 H new ATOM 0 HE3 LYS A 64 12.969 -5.154 15.004 1.00 75.20 H new ATOM 0 HZ1 LYS A 64 13.802 -6.148 17.020 1.00 51.10 H new ATOM 0 HZ2 LYS A 64 12.104 -6.144 17.033 1.00 51.10 H new ATOM 0 HZ3 LYS A 64 12.947 -7.583 16.713 1.00 51.10 H new ATOM 887 N SER A 65 8.928 -8.322 10.041 1.00 62.11 N ATOM 888 CA SER A 65 7.723 -8.984 9.584 1.00 14.23 C ATOM 889 C SER A 65 6.537 -8.651 10.493 1.00 2.43 C ATOM 890 O SER A 65 6.651 -8.702 11.731 1.00 54.43 O ATOM 891 CB SER A 65 7.964 -10.503 9.542 1.00 62.30 C ATOM 892 OG SER A 65 6.797 -11.213 9.167 1.00 20.41 O ATOM 0 H SER A 65 9.710 -8.959 10.190 1.00 62.11 H new ATOM 0 HA SER A 65 7.480 -8.629 8.582 1.00 14.23 H new ATOM 0 HB2 SER A 65 8.766 -10.724 8.837 1.00 62.30 H new ATOM 0 HB3 SER A 65 8.298 -10.845 10.522 1.00 62.30 H new ATOM 0 HG SER A 65 6.359 -10.752 8.422 1.00 20.41 H new ATOM 898 N GLY A 66 5.420 -8.287 9.886 1.00 14.44 N ATOM 899 CA GLY A 66 4.234 -7.975 10.647 1.00 23.14 C ATOM 900 C GLY A 66 4.127 -6.501 10.941 1.00 61.34 C ATOM 901 O GLY A 66 3.212 -6.060 11.635 1.00 44.53 O ATOM 0 H GLY A 66 5.315 -8.202 8.875 1.00 14.44 H new ATOM 0 HA2 GLY A 66 3.352 -8.300 10.095 1.00 23.14 H new ATOM 0 HA3 GLY A 66 4.247 -8.532 11.584 1.00 23.14 H new ATOM 905 N GLU A 67 5.053 -5.738 10.413 1.00 32.20 N ATOM 906 CA GLU A 67 5.065 -4.315 10.603 1.00 42.40 C ATOM 907 C GLU A 67 4.868 -3.598 9.302 1.00 31.34 C ATOM 908 O GLU A 67 4.870 -4.202 8.225 1.00 0.05 O ATOM 909 CB GLU A 67 6.365 -3.810 11.236 1.00 31.23 C ATOM 910 CG GLU A 67 6.636 -4.277 12.642 1.00 13.24 C ATOM 911 CD GLU A 67 7.850 -3.593 13.205 1.00 41.34 C ATOM 912 OE1 GLU A 67 7.753 -2.398 13.555 1.00 24.53 O ATOM 913 OE2 GLU A 67 8.914 -4.227 13.318 1.00 33.21 O ATOM 0 H GLU A 67 5.819 -6.091 9.839 1.00 32.20 H new ATOM 0 HA GLU A 67 4.242 -4.103 11.285 1.00 42.40 H new ATOM 0 HB2 GLU A 67 7.198 -4.119 10.604 1.00 31.23 H new ATOM 0 HB3 GLU A 67 6.349 -2.720 11.232 1.00 31.23 H new ATOM 0 HG2 GLU A 67 5.771 -4.070 13.272 1.00 13.24 H new ATOM 0 HG3 GLU A 67 6.785 -5.357 12.649 1.00 13.24 H new ATOM 920 N VAL A 68 4.710 -2.318 9.407 1.00 22.51 N ATOM 921 CA VAL A 68 4.547 -1.480 8.284 1.00 4.22 C ATOM 922 C VAL A 68 5.618 -0.405 8.328 1.00 23.20 C ATOM 923 O VAL A 68 5.772 0.308 9.324 1.00 13.32 O ATOM 924 CB VAL A 68 3.116 -0.845 8.245 1.00 64.43 C ATOM 925 CG1 VAL A 68 2.823 -0.042 9.500 1.00 72.52 C ATOM 926 CG2 VAL A 68 2.937 0.025 7.022 1.00 21.02 C ATOM 0 H VAL A 68 4.692 -1.824 10.299 1.00 22.51 H new ATOM 0 HA VAL A 68 4.652 -2.071 7.374 1.00 4.22 H new ATOM 0 HB VAL A 68 2.405 -1.670 8.195 1.00 64.43 H new ATOM 0 HG11 VAL A 68 1.821 0.382 9.435 1.00 72.52 H new ATOM 0 HG12 VAL A 68 2.885 -0.694 10.372 1.00 72.52 H new ATOM 0 HG13 VAL A 68 3.552 0.762 9.596 1.00 72.52 H new ATOM 0 HG21 VAL A 68 1.934 0.452 7.023 1.00 21.02 H new ATOM 0 HG22 VAL A 68 3.673 0.829 7.036 1.00 21.02 H new ATOM 0 HG23 VAL A 68 3.074 -0.577 6.124 1.00 21.02 H new ATOM 932 N ALA A 69 6.372 -0.322 7.293 1.00 60.01 N ATOM 933 CA ALA A 69 7.396 0.661 7.201 1.00 12.03 C ATOM 934 C ALA A 69 6.899 1.758 6.309 1.00 65.02 C ATOM 935 O ALA A 69 6.474 1.505 5.197 1.00 44.21 O ATOM 936 CB ALA A 69 8.670 0.045 6.659 1.00 23.14 C ATOM 0 H ALA A 69 6.298 -0.935 6.481 1.00 60.01 H new ATOM 0 HA ALA A 69 7.630 1.066 8.186 1.00 12.03 H new ATOM 0 HB1 ALA A 69 9.445 0.809 6.594 1.00 23.14 H new ATOM 0 HB2 ALA A 69 9.001 -0.752 7.325 1.00 23.14 H new ATOM 0 HB3 ALA A 69 8.482 -0.366 5.667 1.00 23.14 H new ATOM 942 N VAL A 70 6.921 2.952 6.790 1.00 42.52 N ATOM 943 CA VAL A 70 6.397 4.052 6.035 1.00 35.52 C ATOM 944 C VAL A 70 7.434 5.117 5.877 1.00 41.42 C ATOM 945 O VAL A 70 8.242 5.354 6.778 1.00 40.10 O ATOM 946 CB VAL A 70 5.108 4.624 6.682 1.00 42.31 C ATOM 947 CG1 VAL A 70 5.355 5.101 8.104 1.00 43.25 C ATOM 948 CG2 VAL A 70 4.478 5.723 5.841 1.00 14.24 C ATOM 0 H VAL A 70 7.296 3.199 7.706 1.00 42.52 H new ATOM 0 HA VAL A 70 6.127 3.682 5.046 1.00 35.52 H new ATOM 0 HB VAL A 70 4.395 3.801 6.725 1.00 42.31 H new ATOM 0 HG11 VAL A 70 4.428 5.494 8.522 1.00 43.25 H new ATOM 0 HG12 VAL A 70 5.702 4.266 8.713 1.00 43.25 H new ATOM 0 HG13 VAL A 70 6.112 5.885 8.098 1.00 43.25 H new ATOM 0 HG21 VAL A 70 3.579 6.090 6.336 1.00 14.24 H new ATOM 0 HG22 VAL A 70 5.187 6.542 5.722 1.00 14.24 H new ATOM 0 HG23 VAL A 70 4.215 5.326 4.861 1.00 14.24 H new ATOM 954 N LEU A 71 7.431 5.731 4.744 1.00 75.23 N ATOM 955 CA LEU A 71 8.359 6.769 4.449 1.00 24.13 C ATOM 956 C LEU A 71 7.589 7.977 4.057 1.00 11.22 C ATOM 957 O LEU A 71 6.585 7.860 3.349 1.00 53.04 O ATOM 958 CB LEU A 71 9.235 6.371 3.256 1.00 41.23 C ATOM 959 CG LEU A 71 9.964 5.040 3.344 1.00 72.52 C ATOM 960 CD1 LEU A 71 10.838 4.832 2.126 1.00 54.04 C ATOM 961 CD2 LEU A 71 10.776 4.958 4.605 1.00 74.54 C ATOM 0 H LEU A 71 6.778 5.525 3.988 1.00 75.23 H new ATOM 0 HA LEU A 71 8.985 6.953 5.322 1.00 24.13 H new ATOM 0 HB2 LEU A 71 8.606 6.354 2.366 1.00 41.23 H new ATOM 0 HB3 LEU A 71 9.978 7.154 3.106 1.00 41.23 H new ATOM 0 HG LEU A 71 9.220 4.244 3.371 1.00 72.52 H new ATOM 0 HD11 LEU A 71 11.352 3.874 2.206 1.00 54.04 H new ATOM 0 HD12 LEU A 71 10.219 4.837 1.229 1.00 54.04 H new ATOM 0 HD13 LEU A 71 11.573 5.634 2.064 1.00 54.04 H new ATOM 0 HD21 LEU A 71 11.289 3.997 4.646 1.00 74.54 H new ATOM 0 HD22 LEU A 71 11.512 5.762 4.617 1.00 74.54 H new ATOM 0 HD23 LEU A 71 10.118 5.055 5.468 1.00 74.54 H new ATOM 969 N LYS A 72 8.004 9.120 4.517 1.00 21.51 N ATOM 970 CA LYS A 72 7.407 10.307 4.036 1.00 2.10 C ATOM 971 C LYS A 72 8.275 10.785 2.916 1.00 32.12 C ATOM 972 O LYS A 72 9.420 11.192 3.131 1.00 24.03 O ATOM 973 CB LYS A 72 7.311 11.356 5.128 1.00 14.14 C ATOM 974 CG LYS A 72 6.670 12.671 4.681 1.00 60.34 C ATOM 975 CD LYS A 72 6.364 13.573 5.869 1.00 52.34 C ATOM 976 CE LYS A 72 7.602 13.912 6.681 1.00 51.42 C ATOM 977 NZ LYS A 72 7.261 14.710 7.880 1.00 5.23 N ATOM 0 H LYS A 72 8.740 9.245 5.212 1.00 21.51 H new ATOM 0 HA LYS A 72 6.387 10.121 3.698 1.00 2.10 H new ATOM 0 HB2 LYS A 72 6.735 10.948 5.958 1.00 14.14 H new ATOM 0 HB3 LYS A 72 8.312 11.563 5.506 1.00 14.14 H new ATOM 0 HG2 LYS A 72 7.339 13.188 3.993 1.00 60.34 H new ATOM 0 HG3 LYS A 72 5.750 12.462 4.135 1.00 60.34 H new ATOM 0 HD2 LYS A 72 5.905 14.495 5.511 1.00 52.34 H new ATOM 0 HD3 LYS A 72 5.634 13.083 6.514 1.00 52.34 H new ATOM 0 HE2 LYS A 72 8.103 12.993 6.985 1.00 51.42 H new ATOM 0 HE3 LYS A 72 8.305 14.468 6.060 1.00 51.42 H new ATOM 0 HZ1 LYS A 72 8.128 14.925 8.412 1.00 5.23 H new ATOM 0 HZ2 LYS A 72 6.805 15.598 7.588 1.00 5.23 H new ATOM 0 HZ3 LYS A 72 6.609 14.169 8.483 1.00 5.23 H new ATOM 991 N ARG A 73 7.772 10.716 1.736 1.00 4.33 N ATOM 992 CA ARG A 73 8.552 11.072 0.584 1.00 53.43 C ATOM 993 C ARG A 73 7.669 11.852 -0.367 1.00 3.25 C ATOM 994 O ARG A 73 6.507 11.493 -0.544 1.00 44.35 O ATOM 995 CB ARG A 73 9.082 9.809 -0.119 1.00 62.43 C ATOM 996 CG ARG A 73 10.403 10.025 -0.859 1.00 3.34 C ATOM 997 CD ARG A 73 11.629 9.785 0.059 1.00 13.53 C ATOM 998 NE ARG A 73 11.565 10.475 1.360 1.00 34.34 N ATOM 999 CZ ARG A 73 12.541 10.468 2.282 1.00 1.20 C ATOM 1000 NH1 ARG A 73 13.730 9.930 2.010 1.00 31.30 N ATOM 1001 NH2 ARG A 73 12.328 11.026 3.464 1.00 73.31 N ATOM 0 H ARG A 73 6.819 10.416 1.532 1.00 4.33 H new ATOM 0 HA ARG A 73 9.406 11.676 0.892 1.00 53.43 H new ATOM 0 HB2 ARG A 73 9.216 9.021 0.622 1.00 62.43 H new ATOM 0 HB3 ARG A 73 8.332 9.457 -0.828 1.00 62.43 H new ATOM 0 HG2 ARG A 73 10.453 9.352 -1.715 1.00 3.34 H new ATOM 0 HG3 ARG A 73 10.437 11.042 -1.251 1.00 3.34 H new ATOM 0 HD2 ARG A 73 11.731 8.714 0.235 1.00 13.53 H new ATOM 0 HD3 ARG A 73 12.528 10.109 -0.465 1.00 13.53 H new ATOM 0 HE ARG A 73 10.716 10.997 1.576 1.00 34.34 H new ATOM 0 HH11 ARG A 73 13.906 9.518 1.094 1.00 31.30 H new ATOM 0 HH12 ARG A 73 14.464 9.930 2.718 1.00 31.30 H new ATOM 0 HH21 ARG A 73 11.427 11.458 3.669 1.00 73.31 H new ATOM 0 HH22 ARG A 73 13.065 11.024 4.169 1.00 73.31 H new ATOM 1013 N ASP A 74 8.207 12.925 -0.946 1.00 23.44 N ATOM 1014 CA ASP A 74 7.470 13.803 -1.909 1.00 13.13 C ATOM 1015 C ASP A 74 6.190 14.368 -1.233 1.00 22.32 C ATOM 1016 O ASP A 74 5.226 14.764 -1.878 1.00 71.32 O ATOM 1017 CB ASP A 74 7.138 12.984 -3.214 1.00 22.42 C ATOM 1018 CG ASP A 74 6.455 13.786 -4.335 1.00 62.54 C ATOM 1019 OD1 ASP A 74 7.106 14.690 -4.923 1.00 72.41 O ATOM 1020 OD2 ASP A 74 5.265 13.522 -4.646 1.00 10.52 O ATOM 0 H ASP A 74 9.166 13.227 -0.773 1.00 23.44 H new ATOM 0 HA ASP A 74 8.090 14.652 -2.195 1.00 13.13 H new ATOM 0 HB2 ASP A 74 8.064 12.562 -3.604 1.00 22.42 H new ATOM 0 HB3 ASP A 74 6.494 12.147 -2.944 1.00 22.42 H new ATOM 1025 N GLY A 75 6.261 14.497 0.090 1.00 40.35 N ATOM 1026 CA GLY A 75 5.148 15.006 0.873 1.00 24.14 C ATOM 1027 C GLY A 75 4.025 13.990 1.062 1.00 61.54 C ATOM 1028 O GLY A 75 2.946 14.339 1.544 1.00 61.05 O ATOM 0 H GLY A 75 7.084 14.253 0.641 1.00 40.35 H new ATOM 0 HA2 GLY A 75 5.514 15.318 1.851 1.00 24.14 H new ATOM 0 HA3 GLY A 75 4.746 15.894 0.385 1.00 24.14 H new ATOM 1032 N ARG A 76 4.275 12.754 0.681 1.00 31.41 N ATOM 1033 CA ARG A 76 3.288 11.694 0.787 1.00 61.14 C ATOM 1034 C ARG A 76 3.814 10.603 1.682 1.00 44.12 C ATOM 1035 O ARG A 76 4.980 10.628 2.088 1.00 22.25 O ATOM 1036 CB ARG A 76 3.047 11.074 -0.582 1.00 33.05 C ATOM 1037 CG ARG A 76 2.690 12.048 -1.659 1.00 30.32 C ATOM 1038 CD ARG A 76 2.510 11.337 -2.977 1.00 62.32 C ATOM 1039 NE ARG A 76 1.370 10.417 -2.989 1.00 23.20 N ATOM 1040 CZ ARG A 76 1.088 9.596 -4.004 1.00 24.43 C ATOM 1041 NH1 ARG A 76 1.888 9.558 -5.073 1.00 72.52 N ATOM 1042 NH2 ARG A 76 0.016 8.806 -3.959 1.00 41.14 N ATOM 0 H ARG A 76 5.168 12.454 0.289 1.00 31.41 H new ATOM 0 HA ARG A 76 2.367 12.119 1.187 1.00 61.14 H new ATOM 0 HB2 ARG A 76 3.944 10.534 -0.883 1.00 33.05 H new ATOM 0 HB3 ARG A 76 2.246 10.339 -0.496 1.00 33.05 H new ATOM 0 HG2 ARG A 76 1.772 12.572 -1.394 1.00 30.32 H new ATOM 0 HG3 ARG A 76 3.472 12.802 -1.750 1.00 30.32 H new ATOM 0 HD2 ARG A 76 2.379 12.077 -3.766 1.00 62.32 H new ATOM 0 HD3 ARG A 76 3.419 10.781 -3.209 1.00 62.32 H new ATOM 0 HE ARG A 76 0.756 10.403 -2.175 1.00 23.20 H new ATOM 0 HH11 ARG A 76 2.714 10.156 -5.114 1.00 72.52 H new ATOM 0 HH12 ARG A 76 1.673 8.931 -5.849 1.00 72.52 H new ATOM 0 HH21 ARG A 76 -0.598 8.825 -3.144 1.00 41.14 H new ATOM 0 HH22 ARG A 76 -0.191 8.182 -4.739 1.00 41.14 H new ATOM 1054 N TYR A 77 2.972 9.655 1.988 1.00 32.32 N ATOM 1055 CA TYR A 77 3.383 8.495 2.717 1.00 23.23 C ATOM 1056 C TYR A 77 3.443 7.288 1.828 1.00 4.43 C ATOM 1057 O TYR A 77 2.568 7.079 0.979 1.00 61.53 O ATOM 1058 CB TYR A 77 2.525 8.235 3.941 1.00 2.53 C ATOM 1059 CG TYR A 77 2.785 9.205 5.054 1.00 2.23 C ATOM 1060 CD1 TYR A 77 4.042 9.279 5.607 1.00 13.44 C ATOM 1061 CD2 TYR A 77 1.793 10.026 5.560 1.00 70.42 C ATOM 1062 CE1 TYR A 77 4.323 10.129 6.627 1.00 0.25 C ATOM 1063 CE2 TYR A 77 2.062 10.899 6.596 1.00 75.12 C ATOM 1064 CZ TYR A 77 3.335 10.947 7.127 1.00 52.21 C ATOM 1065 OH TYR A 77 3.612 11.808 8.169 1.00 40.11 O ATOM 0 H TYR A 77 1.983 9.668 1.738 1.00 32.32 H new ATOM 0 HA TYR A 77 4.389 8.699 3.083 1.00 23.23 H new ATOM 0 HB2 TYR A 77 1.473 8.287 3.659 1.00 2.53 H new ATOM 0 HB3 TYR A 77 2.709 7.222 4.299 1.00 2.53 H new ATOM 0 HD1 TYR A 77 4.825 8.645 5.220 1.00 13.44 H new ATOM 0 HD2 TYR A 77 0.799 9.984 5.141 1.00 70.42 H new ATOM 0 HE1 TYR A 77 5.318 10.164 7.045 1.00 0.25 H new ATOM 0 HE2 TYR A 77 1.284 11.538 6.987 1.00 75.12 H new ATOM 0 HH TYR A 77 2.805 12.313 8.399 1.00 40.11 H new ATOM 1075 N ILE A 78 4.475 6.512 2.003 1.00 62.32 N ATOM 1076 CA ILE A 78 4.673 5.320 1.229 1.00 21.32 C ATOM 1077 C ILE A 78 4.738 4.170 2.201 1.00 0.21 C ATOM 1078 O ILE A 78 5.625 4.130 3.056 1.00 65.42 O ATOM 1079 CB ILE A 78 6.003 5.375 0.412 1.00 50.40 C ATOM 1080 CG1 ILE A 78 6.085 6.658 -0.449 1.00 24.22 C ATOM 1081 CG2 ILE A 78 6.134 4.136 -0.476 1.00 50.43 C ATOM 1082 CD1 ILE A 78 4.973 6.807 -1.469 1.00 74.44 C ATOM 0 H ILE A 78 5.207 6.690 2.691 1.00 62.32 H new ATOM 0 HA ILE A 78 3.856 5.209 0.516 1.00 21.32 H new ATOM 0 HB ILE A 78 6.829 5.393 1.123 1.00 50.40 H new ATOM 0 HG12 ILE A 78 6.072 7.525 0.212 1.00 24.22 H new ATOM 0 HG13 ILE A 78 7.042 6.669 -0.970 1.00 24.22 H new ATOM 0 HG21 ILE A 78 7.066 4.189 -1.039 1.00 50.43 H new ATOM 0 HG22 ILE A 78 6.136 3.241 0.146 1.00 50.43 H new ATOM 0 HG23 ILE A 78 5.293 4.094 -1.169 1.00 50.43 H new ATOM 0 HD11 ILE A 78 5.112 7.734 -2.026 1.00 74.44 H new ATOM 0 HD12 ILE A 78 4.996 5.963 -2.158 1.00 74.44 H new ATOM 0 HD13 ILE A 78 4.011 6.832 -0.957 1.00 74.44 H new ATOM 1089 N TYR A 79 3.810 3.268 2.090 1.00 12.43 N ATOM 1090 CA TYR A 79 3.718 2.156 2.993 1.00 43.13 C ATOM 1091 C TYR A 79 4.343 0.910 2.418 1.00 41.21 C ATOM 1092 O TYR A 79 4.114 0.549 1.249 1.00 24.45 O ATOM 1093 CB TYR A 79 2.269 1.864 3.353 1.00 51.10 C ATOM 1094 CG TYR A 79 1.546 2.983 4.053 1.00 21.11 C ATOM 1095 CD1 TYR A 79 1.613 3.108 5.423 1.00 43.41 C ATOM 1096 CD2 TYR A 79 0.776 3.901 3.346 1.00 1.31 C ATOM 1097 CE1 TYR A 79 0.943 4.105 6.077 1.00 23.01 C ATOM 1098 CE2 TYR A 79 0.103 4.914 3.999 1.00 12.33 C ATOM 1099 CZ TYR A 79 0.191 5.007 5.368 1.00 70.25 C ATOM 1100 OH TYR A 79 -0.487 6.005 6.040 1.00 54.42 O ATOM 0 H TYR A 79 3.090 3.281 1.367 1.00 12.43 H new ATOM 0 HA TYR A 79 4.268 2.439 3.891 1.00 43.13 H new ATOM 0 HB2 TYR A 79 1.727 1.617 2.440 1.00 51.10 H new ATOM 0 HB3 TYR A 79 2.240 0.980 3.990 1.00 51.10 H new ATOM 0 HD1 TYR A 79 2.205 2.406 5.991 1.00 43.41 H new ATOM 0 HD2 TYR A 79 0.704 3.820 2.271 1.00 1.31 H new ATOM 0 HE1 TYR A 79 1.006 4.182 7.152 1.00 23.01 H new ATOM 0 HE2 TYR A 79 -0.486 5.626 3.440 1.00 12.33 H new ATOM 0 HH TYR A 79 -1.401 5.708 6.231 1.00 54.42 H new ATOM 1110 N TYR A 80 5.141 0.285 3.220 1.00 73.25 N ATOM 1111 CA TYR A 80 5.746 -0.970 2.923 1.00 65.54 C ATOM 1112 C TYR A 80 5.290 -1.973 3.952 1.00 52.43 C ATOM 1113 O TYR A 80 5.726 -1.926 5.105 1.00 62.14 O ATOM 1114 CB TYR A 80 7.275 -0.867 2.965 1.00 63.10 C ATOM 1115 CG TYR A 80 7.877 0.044 1.931 1.00 24.14 C ATOM 1116 CD1 TYR A 80 8.016 1.408 2.155 1.00 71.42 C ATOM 1117 CD2 TYR A 80 8.312 -0.463 0.729 1.00 73.03 C ATOM 1118 CE1 TYR A 80 8.572 2.229 1.199 1.00 50.54 C ATOM 1119 CE2 TYR A 80 8.868 0.343 -0.229 1.00 71.23 C ATOM 1120 CZ TYR A 80 8.998 1.689 0.009 1.00 10.33 C ATOM 1121 OH TYR A 80 9.543 2.498 -0.956 1.00 44.21 O ATOM 0 H TYR A 80 5.399 0.650 4.137 1.00 73.25 H new ATOM 0 HA TYR A 80 5.451 -1.279 1.920 1.00 65.54 H new ATOM 0 HB2 TYR A 80 7.574 -0.518 3.954 1.00 63.10 H new ATOM 0 HB3 TYR A 80 7.695 -1.865 2.838 1.00 63.10 H new ATOM 0 HD1 TYR A 80 7.684 1.830 3.092 1.00 71.42 H new ATOM 0 HD2 TYR A 80 8.213 -1.521 0.536 1.00 73.03 H new ATOM 0 HE1 TYR A 80 8.672 3.288 1.383 1.00 50.54 H new ATOM 0 HE2 TYR A 80 9.202 -0.078 -1.166 1.00 71.23 H new ATOM 0 HH TYR A 80 9.792 1.957 -1.734 1.00 44.21 H new ATOM 1131 N LEU A 81 4.379 -2.823 3.569 1.00 21.50 N ATOM 1132 CA LEU A 81 3.903 -3.857 4.459 1.00 23.01 C ATOM 1133 C LEU A 81 4.918 -4.977 4.460 1.00 10.34 C ATOM 1134 O LEU A 81 5.201 -5.571 3.406 1.00 54.10 O ATOM 1135 CB LEU A 81 2.520 -4.361 4.017 1.00 31.23 C ATOM 1136 CG LEU A 81 1.394 -3.311 3.983 1.00 21.12 C ATOM 1137 CD1 LEU A 81 0.104 -3.932 3.505 1.00 20.21 C ATOM 1138 CD2 LEU A 81 1.184 -2.693 5.350 1.00 25.31 C ATOM 0 H LEU A 81 3.947 -2.824 2.645 1.00 21.50 H new ATOM 0 HA LEU A 81 3.790 -3.462 5.469 1.00 23.01 H new ATOM 0 HB2 LEU A 81 2.615 -4.794 3.021 1.00 31.23 H new ATOM 0 HB3 LEU A 81 2.218 -5.166 4.687 1.00 31.23 H new ATOM 0 HG LEU A 81 1.694 -2.527 3.288 1.00 21.12 H new ATOM 0 HD11 LEU A 81 -0.680 -3.175 3.488 1.00 20.21 H new ATOM 0 HD12 LEU A 81 0.243 -4.333 2.501 1.00 20.21 H new ATOM 0 HD13 LEU A 81 -0.184 -4.737 4.181 1.00 20.21 H new ATOM 0 HD21 LEU A 81 0.383 -1.955 5.297 1.00 25.31 H new ATOM 0 HD22 LEU A 81 0.913 -3.471 6.063 1.00 25.31 H new ATOM 0 HD23 LEU A 81 2.104 -2.207 5.675 1.00 25.31 H new ATOM 1146 N ILE A 82 5.483 -5.252 5.608 1.00 34.31 N ATOM 1147 CA ILE A 82 6.534 -6.227 5.699 1.00 50.01 C ATOM 1148 C ILE A 82 5.940 -7.625 5.849 1.00 34.02 C ATOM 1149 O ILE A 82 5.458 -7.997 6.929 1.00 72.22 O ATOM 1150 CB ILE A 82 7.478 -5.943 6.888 1.00 42.43 C ATOM 1151 CG1 ILE A 82 7.976 -4.478 6.889 1.00 35.04 C ATOM 1152 CG2 ILE A 82 8.654 -6.880 6.812 1.00 3.54 C ATOM 1153 CD1 ILE A 82 8.835 -4.077 5.700 1.00 4.31 C ATOM 0 H ILE A 82 5.231 -4.812 6.493 1.00 34.31 H new ATOM 0 HA ILE A 82 7.116 -6.166 4.780 1.00 50.01 H new ATOM 0 HB ILE A 82 6.923 -6.102 7.813 1.00 42.43 H new ATOM 0 HG12 ILE A 82 7.109 -3.818 6.928 1.00 35.04 H new ATOM 0 HG13 ILE A 82 8.547 -4.308 7.802 1.00 35.04 H new ATOM 0 HG21 ILE A 82 9.327 -6.688 7.648 1.00 3.54 H new ATOM 0 HG22 ILE A 82 8.302 -7.910 6.860 1.00 3.54 H new ATOM 0 HG23 ILE A 82 9.186 -6.721 5.874 1.00 3.54 H new ATOM 0 HD11 ILE A 82 9.130 -3.032 5.800 1.00 4.31 H new ATOM 0 HD12 ILE A 82 9.726 -4.704 5.667 1.00 4.31 H new ATOM 0 HD13 ILE A 82 8.266 -4.207 4.780 1.00 4.31 H new ATOM 1160 N THR A 83 5.978 -8.377 4.770 1.00 51.14 N ATOM 1161 CA THR A 83 5.400 -9.704 4.713 1.00 35.21 C ATOM 1162 C THR A 83 6.104 -10.723 5.623 1.00 31.14 C ATOM 1163 O THR A 83 5.716 -10.915 6.774 1.00 45.41 O ATOM 1164 CB THR A 83 5.341 -10.223 3.257 1.00 74.32 C ATOM 1165 OG1 THR A 83 6.650 -10.126 2.660 1.00 45.20 O ATOM 1166 CG2 THR A 83 4.338 -9.426 2.440 1.00 34.23 C ATOM 0 H THR A 83 6.416 -8.081 3.897 1.00 51.14 H new ATOM 0 HA THR A 83 4.385 -9.602 5.097 1.00 35.21 H new ATOM 0 HB THR A 83 5.020 -11.265 3.269 1.00 74.32 H new ATOM 0 HG1 THR A 83 6.813 -9.202 2.378 1.00 45.20 H new ATOM 0 HG21 THR A 83 4.314 -9.809 1.420 1.00 34.23 H new ATOM 0 HG22 THR A 83 3.348 -9.520 2.887 1.00 34.23 H new ATOM 0 HG23 THR A 83 4.632 -8.376 2.427 1.00 34.23 H new ATOM 1172 N LYS A 84 7.139 -11.360 5.114 1.00 43.04 N ATOM 1173 CA LYS A 84 7.864 -12.360 5.867 1.00 5.32 C ATOM 1174 C LYS A 84 9.348 -12.105 5.764 1.00 45.12 C ATOM 1175 O LYS A 84 9.765 -11.234 4.998 1.00 45.44 O ATOM 1176 CB LYS A 84 7.475 -13.790 5.439 1.00 23.02 C ATOM 1177 CG LYS A 84 5.980 -14.062 5.616 1.00 45.22 C ATOM 1178 CD LYS A 84 5.569 -15.486 5.293 1.00 62.01 C ATOM 1179 CE LYS A 84 6.129 -16.490 6.268 1.00 4.34 C ATOM 1180 NZ LYS A 84 5.610 -17.855 6.006 1.00 21.13 N ATOM 0 H LYS A 84 7.499 -11.200 4.173 1.00 43.04 H new ATOM 0 HA LYS A 84 7.585 -12.279 6.918 1.00 5.32 H new ATOM 0 HB2 LYS A 84 7.749 -13.942 4.395 1.00 23.02 H new ATOM 0 HB3 LYS A 84 8.045 -14.510 6.026 1.00 23.02 H new ATOM 0 HG2 LYS A 84 5.700 -13.839 6.645 1.00 45.22 H new ATOM 0 HG3 LYS A 84 5.419 -13.379 4.978 1.00 45.22 H new ATOM 0 HD2 LYS A 84 4.481 -15.554 5.293 1.00 62.01 H new ATOM 0 HD3 LYS A 84 5.905 -15.737 4.287 1.00 62.01 H new ATOM 0 HE2 LYS A 84 7.217 -16.495 6.201 1.00 4.34 H new ATOM 0 HE3 LYS A 84 5.873 -16.192 7.285 1.00 4.34 H new ATOM 0 HZ1 LYS A 84 6.104 -18.537 6.616 1.00 21.13 H new ATOM 0 HZ2 LYS A 84 4.590 -17.884 6.209 1.00 21.13 H new ATOM 0 HZ3 LYS A 84 5.771 -18.102 5.009 1.00 21.13 H new ATOM 1194 N LYS A 85 10.140 -12.876 6.495 1.00 25.45 N ATOM 1195 CA LYS A 85 11.564 -12.596 6.670 1.00 21.22 C ATOM 1196 C LYS A 85 12.376 -12.487 5.362 1.00 61.21 C ATOM 1197 O LYS A 85 13.115 -11.524 5.181 1.00 1.10 O ATOM 1198 CB LYS A 85 12.194 -13.560 7.677 1.00 73.13 C ATOM 1199 CG LYS A 85 13.653 -13.262 7.999 1.00 14.42 C ATOM 1200 CD LYS A 85 14.160 -14.084 9.179 1.00 71.23 C ATOM 1201 CE LYS A 85 13.398 -13.758 10.470 1.00 71.33 C ATOM 1202 NZ LYS A 85 13.505 -12.325 10.849 1.00 51.23 N ATOM 0 H LYS A 85 9.818 -13.712 6.984 1.00 25.45 H new ATOM 0 HA LYS A 85 11.613 -11.589 7.084 1.00 21.22 H new ATOM 0 HB2 LYS A 85 11.617 -13.531 8.601 1.00 73.13 H new ATOM 0 HB3 LYS A 85 12.120 -14.575 7.287 1.00 73.13 H new ATOM 0 HG2 LYS A 85 14.267 -13.470 7.123 1.00 14.42 H new ATOM 0 HG3 LYS A 85 13.765 -12.201 8.222 1.00 14.42 H new ATOM 0 HD2 LYS A 85 14.056 -15.145 8.954 1.00 71.23 H new ATOM 0 HD3 LYS A 85 15.223 -13.892 9.326 1.00 71.23 H new ATOM 0 HE2 LYS A 85 12.347 -14.019 10.344 1.00 71.33 H new ATOM 0 HE3 LYS A 85 13.784 -14.375 11.281 1.00 71.33 H new ATOM 0 HZ1 LYS A 85 13.002 -12.164 11.745 1.00 51.23 H new ATOM 0 HZ2 LYS A 85 14.507 -12.070 10.964 1.00 51.23 H new ATOM 0 HZ3 LYS A 85 13.081 -11.736 10.104 1.00 51.23 H new ATOM 1216 N ARG A 86 12.223 -13.424 4.445 1.00 74.42 N ATOM 1217 CA ARG A 86 12.956 -13.337 3.179 1.00 33.33 C ATOM 1218 C ARG A 86 12.020 -13.545 2.001 1.00 52.30 C ATOM 1219 O ARG A 86 10.904 -14.025 2.181 1.00 71.32 O ATOM 1220 CB ARG A 86 14.167 -14.287 3.119 1.00 55.31 C ATOM 1221 CG ARG A 86 15.205 -14.049 4.209 1.00 23.45 C ATOM 1222 CD ARG A 86 16.500 -14.824 3.962 1.00 13.11 C ATOM 1223 NE ARG A 86 16.314 -16.277 3.897 1.00 61.20 N ATOM 1224 CZ ARG A 86 17.278 -17.180 4.148 1.00 43.25 C ATOM 1225 NH1 ARG A 86 18.496 -16.784 4.494 1.00 42.14 N ATOM 1226 NH2 ARG A 86 17.023 -18.477 4.034 1.00 12.44 N ATOM 0 H ARG A 86 11.616 -14.238 4.540 1.00 74.42 H new ATOM 0 HA ARG A 86 13.366 -12.329 3.118 1.00 33.33 H new ATOM 0 HB2 ARG A 86 13.812 -15.315 3.190 1.00 55.31 H new ATOM 0 HB3 ARG A 86 14.648 -14.183 2.146 1.00 55.31 H new ATOM 0 HG2 ARG A 86 15.428 -12.984 4.268 1.00 23.45 H new ATOM 0 HG3 ARG A 86 14.789 -14.341 5.173 1.00 23.45 H new ATOM 0 HD2 ARG A 86 16.945 -14.481 3.028 1.00 13.11 H new ATOM 0 HD3 ARG A 86 17.209 -14.593 4.757 1.00 13.11 H new ATOM 0 HE ARG A 86 15.390 -16.627 3.644 1.00 61.20 H new ATOM 0 HH11 ARG A 86 18.706 -15.789 4.571 1.00 42.14 H new ATOM 0 HH12 ARG A 86 19.222 -17.475 4.683 1.00 42.14 H new ATOM 0 HH21 ARG A 86 16.094 -18.791 3.755 1.00 12.44 H new ATOM 0 HH22 ARG A 86 17.756 -19.160 4.225 1.00 12.44 H new ATOM 1238 N ALA A 87 12.487 -13.214 0.801 1.00 62.45 N ATOM 1239 CA ALA A 87 11.651 -13.209 -0.413 1.00 30.14 C ATOM 1240 C ALA A 87 11.213 -14.599 -0.869 1.00 72.22 C ATOM 1241 O ALA A 87 10.156 -14.747 -1.482 1.00 23.31 O ATOM 1242 CB ALA A 87 12.349 -12.468 -1.546 1.00 12.44 C ATOM 0 H ALA A 87 13.455 -12.940 0.634 1.00 62.45 H new ATOM 0 HA ALA A 87 10.737 -12.680 -0.142 1.00 30.14 H new ATOM 0 HB1 ALA A 87 11.714 -12.477 -2.432 1.00 12.44 H new ATOM 0 HB2 ALA A 87 12.538 -11.438 -1.245 1.00 12.44 H new ATOM 0 HB3 ALA A 87 13.295 -12.959 -1.773 1.00 12.44 H new ATOM 1248 N SER A 88 12.005 -15.611 -0.576 1.00 33.11 N ATOM 1249 CA SER A 88 11.671 -16.970 -0.989 1.00 34.32 C ATOM 1250 C SER A 88 10.619 -17.593 -0.047 1.00 44.42 C ATOM 1251 O SER A 88 10.141 -18.710 -0.283 1.00 25.21 O ATOM 1252 CB SER A 88 12.942 -17.844 -1.065 1.00 41.50 C ATOM 1253 OG SER A 88 12.658 -19.153 -1.544 1.00 54.43 O ATOM 0 H SER A 88 12.879 -15.525 -0.058 1.00 33.11 H new ATOM 0 HA SER A 88 11.234 -16.925 -1.986 1.00 34.32 H new ATOM 0 HB2 SER A 88 13.671 -17.368 -1.720 1.00 41.50 H new ATOM 0 HB3 SER A 88 13.397 -17.910 -0.077 1.00 41.50 H new ATOM 0 HG SER A 88 11.756 -19.415 -1.264 1.00 54.43 H new ATOM 1259 N HIS A 89 10.253 -16.861 1.001 1.00 32.40 N ATOM 1260 CA HIS A 89 9.259 -17.337 1.957 1.00 51.01 C ATOM 1261 C HIS A 89 7.883 -17.129 1.371 1.00 64.12 C ATOM 1262 O HIS A 89 7.624 -16.095 0.754 1.00 72.44 O ATOM 1263 CB HIS A 89 9.362 -16.594 3.317 1.00 14.44 C ATOM 1264 CG HIS A 89 10.638 -16.819 4.094 1.00 32.14 C ATOM 1265 ND1 HIS A 89 10.727 -16.678 5.468 1.00 62.44 N ATOM 1266 CD2 HIS A 89 11.888 -17.126 3.681 1.00 51.51 C ATOM 1267 CE1 HIS A 89 11.973 -16.889 5.847 1.00 44.20 C ATOM 1268 NE2 HIS A 89 12.692 -17.164 4.788 1.00 43.20 N ATOM 0 H HIS A 89 10.630 -15.936 1.210 1.00 32.40 H new ATOM 0 HA HIS A 89 9.443 -18.395 2.145 1.00 51.01 H new ATOM 0 HB2 HIS A 89 9.254 -15.525 3.135 1.00 14.44 H new ATOM 0 HB3 HIS A 89 8.521 -16.898 3.940 1.00 14.44 H new ATOM 0 HD2 HIS A 89 12.196 -17.308 2.662 1.00 51.51 H new ATOM 0 HE1 HIS A 89 12.339 -16.843 6.862 1.00 44.20 H new ATOM 0 HE2 HIS A 89 13.690 -17.373 4.788 1.00 43.20 H new ATOM 1277 N LYS A 90 7.014 -18.086 1.552 1.00 41.34 N ATOM 1278 CA LYS A 90 5.672 -17.985 1.035 1.00 52.13 C ATOM 1279 C LYS A 90 4.834 -17.255 2.095 1.00 1.53 C ATOM 1280 O LYS A 90 4.735 -17.723 3.238 1.00 71.31 O ATOM 1281 CB LYS A 90 5.140 -19.424 0.710 1.00 53.22 C ATOM 1282 CG LYS A 90 3.777 -19.539 -0.012 1.00 12.24 C ATOM 1283 CD LYS A 90 2.608 -19.105 0.853 1.00 44.03 C ATOM 1284 CE LYS A 90 1.283 -19.255 0.137 1.00 63.43 C ATOM 1285 NZ LYS A 90 0.955 -20.665 -0.173 1.00 23.12 N ATOM 0 H LYS A 90 7.211 -18.950 2.056 1.00 41.34 H new ATOM 0 HA LYS A 90 5.621 -17.419 0.105 1.00 52.13 H new ATOM 0 HB2 LYS A 90 5.888 -19.928 0.098 1.00 53.22 H new ATOM 0 HB3 LYS A 90 5.071 -19.976 1.647 1.00 53.22 H new ATOM 0 HG2 LYS A 90 3.799 -18.930 -0.916 1.00 12.24 H new ATOM 0 HG3 LYS A 90 3.625 -20.571 -0.327 1.00 12.24 H new ATOM 0 HD2 LYS A 90 2.595 -19.698 1.767 1.00 44.03 H new ATOM 0 HD3 LYS A 90 2.744 -18.065 1.150 1.00 44.03 H new ATOM 0 HE2 LYS A 90 0.492 -18.830 0.754 1.00 63.43 H new ATOM 0 HE3 LYS A 90 1.308 -18.681 -0.789 1.00 63.43 H new ATOM 0 HZ1 LYS A 90 -0.033 -20.730 -0.490 1.00 23.12 H new ATOM 0 HZ2 LYS A 90 1.584 -21.010 -0.926 1.00 23.12 H new ATOM 0 HZ3 LYS A 90 1.084 -21.247 0.679 1.00 23.12 H new ATOM 1299 N PRO A 91 4.276 -16.067 1.740 1.00 10.22 N ATOM 1300 CA PRO A 91 3.507 -15.208 2.665 1.00 73.25 C ATOM 1301 C PRO A 91 2.392 -15.930 3.405 1.00 61.10 C ATOM 1302 O PRO A 91 1.730 -16.814 2.860 1.00 22.32 O ATOM 1303 CB PRO A 91 2.919 -14.138 1.750 1.00 75.12 C ATOM 1304 CG PRO A 91 3.889 -14.047 0.642 1.00 24.14 C ATOM 1305 CD PRO A 91 4.353 -15.451 0.395 1.00 60.31 C ATOM 0 HA PRO A 91 4.150 -14.827 3.459 1.00 73.25 H new ATOM 0 HB2 PRO A 91 1.929 -14.419 1.392 1.00 75.12 H new ATOM 0 HB3 PRO A 91 2.813 -13.184 2.267 1.00 75.12 H new ATOM 0 HG2 PRO A 91 3.426 -13.625 -0.250 1.00 24.14 H new ATOM 0 HG3 PRO A 91 4.725 -13.399 0.905 1.00 24.14 H new ATOM 0 HD2 PRO A 91 3.715 -15.967 -0.323 1.00 60.31 H new ATOM 0 HD3 PRO A 91 5.367 -15.477 -0.004 1.00 60.31 H new ATOM 1313 N THR A 92 2.208 -15.569 4.651 1.00 64.31 N ATOM 1314 CA THR A 92 1.151 -16.120 5.429 1.00 33.12 C ATOM 1315 C THR A 92 0.113 -15.006 5.607 1.00 21.14 C ATOM 1316 O THR A 92 0.474 -13.817 5.576 1.00 73.51 O ATOM 1317 CB THR A 92 1.693 -16.533 6.813 1.00 64.51 C ATOM 1318 OG1 THR A 92 2.892 -17.308 6.665 1.00 32.13 O ATOM 1319 CG2 THR A 92 0.682 -17.357 7.578 1.00 32.22 C ATOM 0 H THR A 92 2.788 -14.889 5.142 1.00 64.31 H new ATOM 0 HA THR A 92 0.719 -16.996 4.946 1.00 33.12 H new ATOM 0 HB THR A 92 1.900 -15.617 7.367 1.00 64.51 H new ATOM 0 HG1 THR A 92 3.472 -17.166 7.442 1.00 32.13 H new ATOM 0 HG21 THR A 92 1.096 -17.631 8.548 1.00 32.22 H new ATOM 0 HG22 THR A 92 -0.228 -16.774 7.723 1.00 32.22 H new ATOM 0 HG23 THR A 92 0.448 -18.260 7.015 1.00 32.22 H new ATOM 1325 N TYR A 93 -1.134 -15.364 5.823 1.00 43.30 N ATOM 1326 CA TYR A 93 -2.194 -14.377 5.963 1.00 44.14 C ATOM 1327 C TYR A 93 -2.076 -13.642 7.286 1.00 20.44 C ATOM 1328 O TYR A 93 -2.410 -12.470 7.389 1.00 52.53 O ATOM 1329 CB TYR A 93 -3.561 -15.026 5.779 1.00 61.11 C ATOM 1330 CG TYR A 93 -3.679 -15.720 4.443 1.00 61.13 C ATOM 1331 CD1 TYR A 93 -3.797 -14.988 3.271 1.00 5.21 C ATOM 1332 CD2 TYR A 93 -3.647 -17.102 4.352 1.00 53.45 C ATOM 1333 CE1 TYR A 93 -3.877 -15.614 2.048 1.00 53.54 C ATOM 1334 CE2 TYR A 93 -3.731 -17.737 3.133 1.00 33.14 C ATOM 1335 CZ TYR A 93 -3.843 -16.991 1.984 1.00 34.51 C ATOM 1336 OH TYR A 93 -3.914 -17.623 0.763 1.00 10.45 O ATOM 0 H TYR A 93 -1.444 -16.332 5.906 1.00 43.30 H new ATOM 0 HA TYR A 93 -2.085 -13.631 5.176 1.00 44.14 H new ATOM 0 HB2 TYR A 93 -3.731 -15.747 6.579 1.00 61.11 H new ATOM 0 HB3 TYR A 93 -4.338 -14.266 5.863 1.00 61.11 H new ATOM 0 HD1 TYR A 93 -3.827 -13.909 3.319 1.00 5.21 H new ATOM 0 HD2 TYR A 93 -3.555 -17.691 5.252 1.00 53.45 H new ATOM 0 HE1 TYR A 93 -3.966 -15.030 1.144 1.00 53.54 H new ATOM 0 HE2 TYR A 93 -3.709 -18.815 3.080 1.00 33.14 H new ATOM 0 HH TYR A 93 -3.876 -18.593 0.894 1.00 10.45 H new ATOM 1346 N GLU A 94 -1.575 -14.354 8.276 1.00 24.54 N ATOM 1347 CA GLU A 94 -1.318 -13.826 9.609 1.00 72.22 C ATOM 1348 C GLU A 94 -0.355 -12.620 9.499 1.00 22.25 C ATOM 1349 O GLU A 94 -0.641 -11.530 10.009 1.00 61.04 O ATOM 1350 CB GLU A 94 -0.700 -14.984 10.432 1.00 52.41 C ATOM 1351 CG GLU A 94 -0.477 -14.771 11.935 1.00 63.00 C ATOM 1352 CD GLU A 94 0.550 -13.724 12.286 1.00 25.22 C ATOM 1353 OE1 GLU A 94 1.724 -13.865 11.876 1.00 14.15 O ATOM 1354 OE2 GLU A 94 0.209 -12.776 13.010 1.00 21.25 O ATOM 0 H GLU A 94 -1.328 -15.339 8.178 1.00 24.54 H new ATOM 0 HA GLU A 94 -2.225 -13.471 10.098 1.00 72.22 H new ATOM 0 HB2 GLU A 94 -1.342 -15.857 10.312 1.00 52.41 H new ATOM 0 HB3 GLU A 94 0.263 -15.232 9.985 1.00 52.41 H new ATOM 0 HG2 GLU A 94 -1.427 -14.494 12.392 1.00 63.00 H new ATOM 0 HG3 GLU A 94 -0.174 -15.719 12.380 1.00 63.00 H new ATOM 1361 N ASN A 95 0.755 -12.829 8.787 1.00 13.01 N ATOM 1362 CA ASN A 95 1.772 -11.787 8.576 1.00 34.24 C ATOM 1363 C ASN A 95 1.183 -10.597 7.841 1.00 63.20 C ATOM 1364 O ASN A 95 1.436 -9.434 8.192 1.00 61.34 O ATOM 1365 CB ASN A 95 2.938 -12.342 7.745 1.00 14.35 C ATOM 1366 CG ASN A 95 3.670 -13.486 8.408 1.00 53.24 C ATOM 1367 OD1 ASN A 95 3.295 -14.630 8.261 1.00 73.32 O ATOM 1368 ND2 ASN A 95 4.734 -13.195 9.086 1.00 41.23 N ATOM 0 H ASN A 95 0.977 -13.719 8.341 1.00 13.01 H new ATOM 0 HA ASN A 95 2.128 -11.470 9.556 1.00 34.24 H new ATOM 0 HB2 ASN A 95 2.557 -12.677 6.780 1.00 14.35 H new ATOM 0 HB3 ASN A 95 3.645 -11.537 7.546 1.00 14.35 H new ATOM 0 HD21 ASN A 95 5.284 -13.939 9.516 1.00 41.23 H new ATOM 0 HD22 ASN A 95 5.022 -12.222 9.190 1.00 41.23 H new ATOM 1374 N LEU A 96 0.389 -10.896 6.831 1.00 73.54 N ATOM 1375 CA LEU A 96 -0.213 -9.885 5.995 1.00 42.13 C ATOM 1376 C LEU A 96 -1.201 -9.025 6.784 1.00 31.35 C ATOM 1377 O LEU A 96 -1.179 -7.790 6.676 1.00 21.10 O ATOM 1378 CB LEU A 96 -0.905 -10.546 4.796 1.00 51.10 C ATOM 1379 CG LEU A 96 -1.566 -9.608 3.779 1.00 62.15 C ATOM 1380 CD1 LEU A 96 -0.540 -8.673 3.149 1.00 65.42 C ATOM 1381 CD2 LEU A 96 -2.279 -10.415 2.711 1.00 21.21 C ATOM 0 H LEU A 96 0.145 -11.851 6.569 1.00 73.54 H new ATOM 0 HA LEU A 96 0.575 -9.226 5.632 1.00 42.13 H new ATOM 0 HB2 LEU A 96 -0.168 -11.153 4.270 1.00 51.10 H new ATOM 0 HB3 LEU A 96 -1.667 -11.227 5.176 1.00 51.10 H new ATOM 0 HG LEU A 96 -2.299 -8.995 4.304 1.00 62.15 H new ATOM 0 HD11 LEU A 96 -1.036 -8.019 2.432 1.00 65.42 H new ATOM 0 HD12 LEU A 96 -0.072 -8.070 3.927 1.00 65.42 H new ATOM 0 HD13 LEU A 96 0.222 -9.261 2.637 1.00 65.42 H new ATOM 0 HD21 LEU A 96 -2.745 -9.739 1.994 1.00 21.21 H new ATOM 0 HD22 LEU A 96 -1.560 -11.051 2.195 1.00 21.21 H new ATOM 0 HD23 LEU A 96 -3.045 -11.036 3.175 1.00 21.21 H new ATOM 1389 N GLN A 97 -2.039 -9.670 7.596 1.00 50.51 N ATOM 1390 CA GLN A 97 -3.056 -8.963 8.347 1.00 43.55 C ATOM 1391 C GLN A 97 -2.425 -7.967 9.302 1.00 3.34 C ATOM 1392 O GLN A 97 -2.821 -6.812 9.342 1.00 64.53 O ATOM 1393 CB GLN A 97 -3.934 -9.911 9.147 1.00 22.22 C ATOM 1394 CG GLN A 97 -5.138 -9.212 9.746 1.00 54.41 C ATOM 1395 CD GLN A 97 -5.909 -10.075 10.691 1.00 52.10 C ATOM 1396 OE1 GLN A 97 -6.812 -10.805 10.290 1.00 44.21 O ATOM 1397 NE2 GLN A 97 -5.602 -9.964 11.950 1.00 34.44 N ATOM 0 H GLN A 97 -2.027 -10.679 7.745 1.00 50.51 H new ATOM 0 HA GLN A 97 -3.675 -8.441 7.617 1.00 43.55 H new ATOM 0 HB2 GLN A 97 -4.271 -10.722 8.502 1.00 22.22 H new ATOM 0 HB3 GLN A 97 -3.345 -10.363 9.945 1.00 22.22 H new ATOM 0 HG2 GLN A 97 -4.806 -8.316 10.271 1.00 54.41 H new ATOM 0 HG3 GLN A 97 -5.797 -8.885 8.942 1.00 54.41 H new ATOM 0 HE21 GLN A 97 -4.844 -9.345 12.237 1.00 34.44 H new ATOM 0 HE22 GLN A 97 -6.119 -10.496 12.650 1.00 34.44 H new ATOM 1405 N LYS A 98 -1.418 -8.421 10.051 1.00 44.45 N ATOM 1406 CA LYS A 98 -0.741 -7.578 11.048 1.00 2.32 C ATOM 1407 C LYS A 98 -0.165 -6.322 10.413 1.00 63.11 C ATOM 1408 O LYS A 98 -0.168 -5.238 11.019 1.00 21.01 O ATOM 1409 CB LYS A 98 0.357 -8.364 11.772 1.00 54.43 C ATOM 1410 CG LYS A 98 -0.150 -9.557 12.568 1.00 53.53 C ATOM 1411 CD LYS A 98 -1.077 -9.132 13.697 1.00 14.15 C ATOM 1412 CE LYS A 98 -1.620 -10.330 14.452 1.00 53.43 C ATOM 1413 NZ LYS A 98 -2.487 -9.930 15.582 1.00 24.05 N ATOM 0 H LYS A 98 -1.050 -9.370 9.988 1.00 44.45 H new ATOM 0 HA LYS A 98 -1.488 -7.272 11.781 1.00 2.32 H new ATOM 0 HB2 LYS A 98 1.082 -8.714 11.037 1.00 54.43 H new ATOM 0 HB3 LYS A 98 0.886 -7.690 12.446 1.00 54.43 H new ATOM 0 HG2 LYS A 98 -0.678 -10.240 11.902 1.00 53.53 H new ATOM 0 HG3 LYS A 98 0.697 -10.105 12.980 1.00 53.53 H new ATOM 0 HD2 LYS A 98 -0.539 -8.480 14.385 1.00 14.15 H new ATOM 0 HD3 LYS A 98 -1.905 -8.551 13.290 1.00 14.15 H new ATOM 0 HE2 LYS A 98 -2.186 -10.963 13.768 1.00 53.43 H new ATOM 0 HE3 LYS A 98 -0.790 -10.928 14.827 1.00 53.43 H new ATOM 0 HZ1 LYS A 98 -2.836 -10.780 16.070 1.00 24.05 H new ATOM 0 HZ2 LYS A 98 -1.941 -9.348 16.249 1.00 24.05 H new ATOM 0 HZ3 LYS A 98 -3.294 -9.381 15.223 1.00 24.05 H new ATOM 1427 N SER A 99 0.296 -6.462 9.194 1.00 43.52 N ATOM 1428 CA SER A 99 0.845 -5.364 8.459 1.00 42.43 C ATOM 1429 C SER A 99 -0.277 -4.356 8.103 1.00 34.20 C ATOM 1430 O SER A 99 -0.126 -3.136 8.289 1.00 74.13 O ATOM 1431 CB SER A 99 1.551 -5.902 7.212 1.00 33.01 C ATOM 1432 OG SER A 99 2.534 -6.866 7.576 1.00 44.01 O ATOM 0 H SER A 99 0.298 -7.347 8.687 1.00 43.52 H new ATOM 0 HA SER A 99 1.580 -4.831 9.062 1.00 42.43 H new ATOM 0 HB2 SER A 99 0.822 -6.353 6.539 1.00 33.01 H new ATOM 0 HB3 SER A 99 2.020 -5.081 6.669 1.00 33.01 H new ATOM 0 HG SER A 99 2.097 -7.720 7.776 1.00 44.01 H new ATOM 1438 N LEU A 100 -1.415 -4.880 7.638 1.00 54.04 N ATOM 1439 CA LEU A 100 -2.588 -4.059 7.299 1.00 72.43 C ATOM 1440 C LEU A 100 -3.110 -3.323 8.528 1.00 73.15 C ATOM 1441 O LEU A 100 -3.468 -2.135 8.463 1.00 2.01 O ATOM 1442 CB LEU A 100 -3.713 -4.939 6.738 1.00 63.34 C ATOM 1443 CG LEU A 100 -3.450 -5.650 5.412 1.00 44.54 C ATOM 1444 CD1 LEU A 100 -4.611 -6.561 5.079 1.00 65.41 C ATOM 1445 CD2 LEU A 100 -3.262 -4.639 4.300 1.00 21.22 C ATOM 0 H LEU A 100 -1.552 -5.879 7.486 1.00 54.04 H new ATOM 0 HA LEU A 100 -2.277 -3.333 6.548 1.00 72.43 H new ATOM 0 HB2 LEU A 100 -3.954 -5.696 7.485 1.00 63.34 H new ATOM 0 HB3 LEU A 100 -4.600 -4.317 6.617 1.00 63.34 H new ATOM 0 HG LEU A 100 -2.540 -6.242 5.508 1.00 44.54 H new ATOM 0 HD11 LEU A 100 -4.418 -7.065 4.132 1.00 65.41 H new ATOM 0 HD12 LEU A 100 -4.729 -7.303 5.868 1.00 65.41 H new ATOM 0 HD13 LEU A 100 -5.524 -5.971 4.996 1.00 65.41 H new ATOM 0 HD21 LEU A 100 -3.075 -5.161 3.361 1.00 21.22 H new ATOM 0 HD22 LEU A 100 -4.162 -4.031 4.205 1.00 21.22 H new ATOM 0 HD23 LEU A 100 -2.413 -3.996 4.533 1.00 21.22 H new ATOM 1453 N GLU A 101 -3.129 -4.027 9.642 1.00 65.34 N ATOM 1454 CA GLU A 101 -3.645 -3.491 10.908 1.00 25.31 C ATOM 1455 C GLU A 101 -2.788 -2.339 11.406 1.00 44.14 C ATOM 1456 O GLU A 101 -3.289 -1.387 12.013 1.00 52.22 O ATOM 1457 CB GLU A 101 -3.721 -4.576 11.979 1.00 51.31 C ATOM 1458 CG GLU A 101 -4.621 -5.746 11.631 1.00 24.33 C ATOM 1459 CD GLU A 101 -4.688 -6.768 12.738 1.00 53.12 C ATOM 1460 OE1 GLU A 101 -3.748 -7.559 12.893 1.00 72.54 O ATOM 1461 OE2 GLU A 101 -5.684 -6.793 13.471 1.00 3.12 O ATOM 0 H GLU A 101 -2.790 -4.987 9.706 1.00 65.34 H new ATOM 0 HA GLU A 101 -4.652 -3.121 10.714 1.00 25.31 H new ATOM 0 HB2 GLU A 101 -2.716 -4.952 12.168 1.00 51.31 H new ATOM 0 HB3 GLU A 101 -4.074 -4.127 12.908 1.00 51.31 H new ATOM 0 HG2 GLU A 101 -5.625 -5.378 11.418 1.00 24.33 H new ATOM 0 HG3 GLU A 101 -4.257 -6.223 10.721 1.00 24.33 H new ATOM 1468 N ALA A 102 -1.511 -2.417 11.148 1.00 40.21 N ATOM 1469 CA ALA A 102 -0.604 -1.370 11.545 1.00 25.20 C ATOM 1470 C ALA A 102 -0.778 -0.150 10.644 1.00 1.11 C ATOM 1471 O ALA A 102 -0.809 0.994 11.117 1.00 5.14 O ATOM 1472 CB ALA A 102 0.826 -1.868 11.498 1.00 54.14 C ATOM 0 H ALA A 102 -1.071 -3.199 10.662 1.00 40.21 H new ATOM 0 HA ALA A 102 -0.833 -1.077 12.570 1.00 25.20 H new ATOM 0 HB1 ALA A 102 1.500 -1.067 11.800 1.00 54.14 H new ATOM 0 HB2 ALA A 102 0.939 -2.713 12.177 1.00 54.14 H new ATOM 0 HB3 ALA A 102 1.068 -2.183 10.483 1.00 54.14 H new ATOM 1478 N MET A 103 -0.927 -0.407 9.348 1.00 22.32 N ATOM 1479 CA MET A 103 -1.068 0.589 8.375 1.00 3.32 C ATOM 1480 C MET A 103 -2.329 1.436 8.596 1.00 25.30 C ATOM 1481 O MET A 103 -2.270 2.667 8.519 1.00 11.42 O ATOM 1482 CB MET A 103 -1.070 -0.073 7.012 1.00 70.12 C ATOM 1483 CG MET A 103 -1.168 0.899 5.916 1.00 31.54 C ATOM 1484 SD MET A 103 -1.033 0.176 4.265 1.00 2.51 S ATOM 1485 CE MET A 103 -2.468 -0.888 4.209 1.00 43.23 C ATOM 0 H MET A 103 -0.949 -1.353 8.968 1.00 22.32 H new ATOM 0 HA MET A 103 -0.230 1.282 8.445 1.00 3.32 H new ATOM 0 HB2 MET A 103 -0.158 -0.658 6.894 1.00 70.12 H new ATOM 0 HB3 MET A 103 -1.906 -0.770 6.951 1.00 70.12 H new ATOM 0 HG2 MET A 103 -2.121 1.422 5.994 1.00 31.54 H new ATOM 0 HG3 MET A 103 -0.384 1.646 6.038 1.00 31.54 H new ATOM 0 HE1 MET A 103 -2.498 -1.409 3.252 1.00 43.23 H new ATOM 0 HE2 MET A 103 -2.412 -1.617 5.017 1.00 43.23 H new ATOM 0 HE3 MET A 103 -3.371 -0.288 4.323 1.00 43.23 H new ATOM 1495 N LYS A 104 -3.457 0.785 8.890 1.00 53.34 N ATOM 1496 CA LYS A 104 -4.710 1.507 9.144 1.00 74.34 C ATOM 1497 C LYS A 104 -4.586 2.424 10.349 1.00 23.31 C ATOM 1498 O LYS A 104 -5.078 3.553 10.334 1.00 23.12 O ATOM 1499 CB LYS A 104 -5.886 0.564 9.338 1.00 73.52 C ATOM 1500 CG LYS A 104 -5.759 -0.381 10.509 1.00 11.40 C ATOM 1501 CD LYS A 104 -7.052 -1.087 10.795 1.00 21.45 C ATOM 1502 CE LYS A 104 -8.138 -0.081 11.072 1.00 3.34 C ATOM 1503 NZ LYS A 104 -9.370 -0.714 11.594 1.00 34.42 N ATOM 0 H LYS A 104 -3.531 -0.230 8.958 1.00 53.34 H new ATOM 0 HA LYS A 104 -4.901 2.111 8.257 1.00 74.34 H new ATOM 0 HB2 LYS A 104 -6.791 1.158 9.466 1.00 73.52 H new ATOM 0 HB3 LYS A 104 -6.016 -0.023 8.429 1.00 73.52 H new ATOM 0 HG2 LYS A 104 -4.981 -1.116 10.301 1.00 11.40 H new ATOM 0 HG3 LYS A 104 -5.444 0.174 11.393 1.00 11.40 H new ATOM 0 HD2 LYS A 104 -7.331 -1.711 9.946 1.00 21.45 H new ATOM 0 HD3 LYS A 104 -6.932 -1.750 11.652 1.00 21.45 H new ATOM 0 HE2 LYS A 104 -7.776 0.652 11.792 1.00 3.34 H new ATOM 0 HE3 LYS A 104 -8.371 0.461 10.155 1.00 3.34 H new ATOM 0 HZ1 LYS A 104 -10.088 0.017 11.770 1.00 34.42 H new ATOM 0 HZ2 LYS A 104 -9.733 -1.395 10.897 1.00 34.42 H new ATOM 0 HZ3 LYS A 104 -9.156 -1.209 12.483 1.00 34.42 H new ATOM 1517 N SER A 105 -3.917 1.933 11.372 1.00 60.34 N ATOM 1518 CA SER A 105 -3.688 2.677 12.589 1.00 13.22 C ATOM 1519 C SER A 105 -2.892 3.947 12.278 1.00 71.13 C ATOM 1520 O SER A 105 -3.243 5.046 12.733 1.00 15.43 O ATOM 1521 CB SER A 105 -2.949 1.795 13.607 1.00 3.44 C ATOM 1522 OG SER A 105 -2.770 2.455 14.846 1.00 33.42 O ATOM 0 H SER A 105 -3.514 0.996 11.380 1.00 60.34 H new ATOM 0 HA SER A 105 -4.643 2.971 13.023 1.00 13.22 H new ATOM 0 HB2 SER A 105 -3.510 0.874 13.764 1.00 3.44 H new ATOM 0 HB3 SER A 105 -1.977 1.511 13.203 1.00 3.44 H new ATOM 0 HG SER A 105 -2.298 1.862 15.467 1.00 33.42 H new ATOM 1528 N HIS A 106 -1.835 3.792 11.472 1.00 4.53 N ATOM 1529 CA HIS A 106 -1.011 4.919 11.042 1.00 62.31 C ATOM 1530 C HIS A 106 -1.855 5.935 10.284 1.00 61.21 C ATOM 1531 O HIS A 106 -1.764 7.138 10.533 1.00 74.21 O ATOM 1532 CB HIS A 106 0.136 4.441 10.132 1.00 54.34 C ATOM 1533 CG HIS A 106 1.028 5.555 9.625 1.00 74.32 C ATOM 1534 ND1 HIS A 106 0.820 6.201 8.427 1.00 61.25 N ATOM 1535 CD2 HIS A 106 2.123 6.132 10.164 1.00 44.20 C ATOM 1536 CE1 HIS A 106 1.729 7.115 8.251 1.00 1.55 C ATOM 1537 NE2 HIS A 106 2.540 7.100 9.286 1.00 0.41 N ATOM 0 H HIS A 106 -1.532 2.890 11.105 1.00 4.53 H new ATOM 0 HA HIS A 106 -0.592 5.385 11.934 1.00 62.31 H new ATOM 0 HB2 HIS A 106 0.746 3.723 10.681 1.00 54.34 H new ATOM 0 HB3 HIS A 106 -0.288 3.912 9.278 1.00 54.34 H new ATOM 0 HD1 HIS A 106 0.065 5.994 7.774 1.00 61.25 H new ATOM 0 HD2 HIS A 106 2.583 5.879 11.108 1.00 44.20 H new ATOM 0 HE1 HIS A 106 1.805 7.774 7.399 1.00 1.55 H new ATOM 1546 N CYS A 107 -2.660 5.440 9.367 1.00 53.50 N ATOM 1547 CA CYS A 107 -3.488 6.283 8.535 1.00 72.55 C ATOM 1548 C CYS A 107 -4.444 7.133 9.365 1.00 61.41 C ATOM 1549 O CYS A 107 -4.478 8.346 9.211 1.00 24.31 O ATOM 1550 CB CYS A 107 -4.246 5.452 7.509 1.00 25.43 C ATOM 1551 SG CYS A 107 -3.182 4.509 6.398 1.00 53.02 S ATOM 0 H CYS A 107 -2.758 4.442 9.179 1.00 53.50 H new ATOM 0 HA CYS A 107 -2.828 6.967 8.001 1.00 72.55 H new ATOM 0 HB2 CYS A 107 -4.909 4.763 8.033 1.00 25.43 H new ATOM 0 HB3 CYS A 107 -4.878 6.113 6.916 1.00 25.43 H new ATOM 0 HG CYS A 107 -2.676 3.497 7.037 1.00 53.02 H new ATOM 1557 N LEU A 108 -5.180 6.502 10.267 1.00 54.41 N ATOM 1558 CA LEU A 108 -6.133 7.217 11.126 1.00 44.43 C ATOM 1559 C LEU A 108 -5.417 8.242 12.010 1.00 5.21 C ATOM 1560 O LEU A 108 -5.902 9.356 12.213 1.00 74.13 O ATOM 1561 CB LEU A 108 -6.912 6.229 12.004 1.00 63.32 C ATOM 1562 CG LEU A 108 -7.776 5.195 11.275 1.00 14.10 C ATOM 1563 CD1 LEU A 108 -8.427 4.254 12.274 1.00 75.31 C ATOM 1564 CD2 LEU A 108 -8.836 5.880 10.424 1.00 51.31 C ATOM 0 H LEU A 108 -5.141 5.496 10.429 1.00 54.41 H new ATOM 0 HA LEU A 108 -6.831 7.746 10.478 1.00 44.43 H new ATOM 0 HB2 LEU A 108 -6.198 5.695 12.631 1.00 63.32 H new ATOM 0 HB3 LEU A 108 -7.556 6.801 12.671 1.00 63.32 H new ATOM 0 HG LEU A 108 -7.132 4.614 10.615 1.00 14.10 H new ATOM 0 HD11 LEU A 108 -9.038 3.525 11.742 1.00 75.31 H new ATOM 0 HD12 LEU A 108 -7.655 3.735 12.842 1.00 75.31 H new ATOM 0 HD13 LEU A 108 -9.056 4.826 12.956 1.00 75.31 H new ATOM 0 HD21 LEU A 108 -9.437 5.126 9.916 1.00 51.31 H new ATOM 0 HD22 LEU A 108 -9.478 6.487 11.062 1.00 51.31 H new ATOM 0 HD23 LEU A 108 -8.352 6.518 9.684 1.00 51.31 H new ATOM 1572 N LYS A 109 -4.259 7.859 12.506 1.00 74.23 N ATOM 1573 CA LYS A 109 -3.456 8.696 13.373 1.00 24.55 C ATOM 1574 C LYS A 109 -2.874 9.916 12.625 1.00 10.51 C ATOM 1575 O LYS A 109 -2.729 10.992 13.192 1.00 73.23 O ATOM 1576 CB LYS A 109 -2.347 7.838 13.980 1.00 24.21 C ATOM 1577 CG LYS A 109 -1.387 8.560 14.899 1.00 24.32 C ATOM 1578 CD LYS A 109 -0.376 7.595 15.508 1.00 14.54 C ATOM 1579 CE LYS A 109 0.442 6.868 14.447 1.00 14.12 C ATOM 1580 NZ LYS A 109 1.471 5.992 15.043 1.00 40.52 N ATOM 0 H LYS A 109 -3.844 6.947 12.316 1.00 74.23 H new ATOM 0 HA LYS A 109 -4.088 9.100 14.164 1.00 24.55 H new ATOM 0 HB2 LYS A 109 -2.808 7.021 14.536 1.00 24.21 H new ATOM 0 HB3 LYS A 109 -1.775 7.389 13.168 1.00 24.21 H new ATOM 0 HG2 LYS A 109 -0.863 9.337 14.343 1.00 24.32 H new ATOM 0 HG3 LYS A 109 -1.944 9.057 15.694 1.00 24.32 H new ATOM 0 HD2 LYS A 109 0.295 8.144 16.168 1.00 14.54 H new ATOM 0 HD3 LYS A 109 -0.900 6.864 16.124 1.00 14.54 H new ATOM 0 HE2 LYS A 109 -0.223 6.272 13.822 1.00 14.12 H new ATOM 0 HE3 LYS A 109 0.921 7.599 13.796 1.00 14.12 H new ATOM 0 HZ1 LYS A 109 2.004 5.517 14.286 1.00 40.52 H new ATOM 0 HZ2 LYS A 109 2.122 6.563 15.619 1.00 40.52 H new ATOM 0 HZ3 LYS A 109 1.013 5.278 15.644 1.00 40.52 H new ATOM 1594 N ASN A 110 -2.548 9.741 11.353 1.00 13.34 N ATOM 1595 CA ASN A 110 -1.956 10.841 10.557 1.00 24.31 C ATOM 1596 C ASN A 110 -3.007 11.630 9.808 1.00 72.24 C ATOM 1597 O ASN A 110 -2.731 12.726 9.303 1.00 20.34 O ATOM 1598 CB ASN A 110 -0.896 10.340 9.547 1.00 64.25 C ATOM 1599 CG ASN A 110 0.392 9.808 10.165 1.00 31.23 C ATOM 1600 OD1 ASN A 110 0.306 9.210 11.315 1.00 44.50 O flip ATOM 1601 ND2 ASN A 110 1.455 9.917 9.578 1.00 74.44 N flip ATOM 0 H ASN A 110 -2.675 8.867 10.843 1.00 13.34 H new ATOM 0 HA ASN A 110 -1.468 11.490 11.284 1.00 24.31 H new ATOM 0 HB2 ASN A 110 -1.341 9.552 8.940 1.00 64.25 H new ATOM 0 HB3 ASN A 110 -0.645 11.159 8.873 1.00 64.25 H new ATOM 0 HD21 ASN A 110 1.493 10.392 8.676 1.00 74.44 H new ATOM 0 HD22 ASN A 110 2.306 9.533 9.989 1.00 74.44 H new ATOM 1607 N GLY A 111 -4.197 11.090 9.737 1.00 43.21 N ATOM 1608 CA GLY A 111 -5.247 11.721 8.981 1.00 51.20 C ATOM 1609 C GLY A 111 -5.089 11.429 7.510 1.00 41.33 C ATOM 1610 O GLY A 111 -5.312 12.292 6.659 1.00 51.11 O ATOM 0 H GLY A 111 -4.462 10.217 10.193 1.00 43.21 H new ATOM 0 HA2 GLY A 111 -6.217 11.363 9.326 1.00 51.20 H new ATOM 0 HA3 GLY A 111 -5.226 12.798 9.148 1.00 51.20 H new ATOM 1614 N VAL A 112 -4.657 10.221 7.224 1.00 71.42 N ATOM 1615 CA VAL A 112 -4.469 9.738 5.876 1.00 53.43 C ATOM 1616 C VAL A 112 -5.654 8.854 5.521 1.00 43.31 C ATOM 1617 O VAL A 112 -5.767 7.736 5.997 1.00 53.41 O ATOM 1618 CB VAL A 112 -3.118 8.956 5.732 1.00 21.22 C ATOM 1619 CG1 VAL A 112 -2.967 8.350 4.342 1.00 4.51 C ATOM 1620 CG2 VAL A 112 -1.951 9.889 6.010 1.00 52.35 C ATOM 0 H VAL A 112 -4.422 9.533 7.939 1.00 71.42 H new ATOM 0 HA VAL A 112 -4.415 10.582 5.188 1.00 53.43 H new ATOM 0 HB VAL A 112 -3.124 8.142 6.457 1.00 21.22 H new ATOM 0 HG11 VAL A 112 -2.019 7.816 4.279 1.00 4.51 H new ATOM 0 HG12 VAL A 112 -3.787 7.657 4.156 1.00 4.51 H new ATOM 0 HG13 VAL A 112 -2.986 9.144 3.595 1.00 4.51 H new ATOM 0 HG21 VAL A 112 -1.015 9.341 5.909 1.00 52.35 H new ATOM 0 HG22 VAL A 112 -1.967 10.714 5.298 1.00 52.35 H new ATOM 0 HG23 VAL A 112 -2.033 10.282 7.023 1.00 52.35 H new ATOM 1626 N THR A 113 -6.545 9.383 4.735 1.00 11.53 N ATOM 1627 CA THR A 113 -7.771 8.698 4.398 1.00 53.02 C ATOM 1628 C THR A 113 -7.880 8.394 2.909 1.00 63.35 C ATOM 1629 O THR A 113 -8.897 7.887 2.443 1.00 71.33 O ATOM 1630 CB THR A 113 -8.965 9.551 4.846 1.00 4.41 C ATOM 1631 OG1 THR A 113 -8.776 10.901 4.372 1.00 34.21 O ATOM 1632 CG2 THR A 113 -9.095 9.549 6.366 1.00 5.40 C ATOM 0 H THR A 113 -6.448 10.303 4.306 1.00 11.53 H new ATOM 0 HA THR A 113 -7.770 7.741 4.919 1.00 53.02 H new ATOM 0 HB THR A 113 -9.880 9.131 4.428 1.00 4.41 H new ATOM 0 HG1 THR A 113 -9.535 11.455 4.651 1.00 34.21 H new ATOM 0 HG21 THR A 113 -9.948 10.160 6.659 1.00 5.40 H new ATOM 0 HG22 THR A 113 -9.243 8.528 6.717 1.00 5.40 H new ATOM 0 HG23 THR A 113 -8.187 9.957 6.809 1.00 5.40 H new ATOM 1638 N ASP A 114 -6.838 8.673 2.178 1.00 43.23 N ATOM 1639 CA ASP A 114 -6.840 8.447 0.740 1.00 14.33 C ATOM 1640 C ASP A 114 -5.570 7.685 0.397 1.00 41.53 C ATOM 1641 O ASP A 114 -4.461 8.235 0.510 1.00 71.33 O ATOM 1642 CB ASP A 114 -6.917 9.809 0.014 1.00 55.32 C ATOM 1643 CG ASP A 114 -7.154 9.711 -1.480 1.00 64.41 C ATOM 1644 OD1 ASP A 114 -8.217 9.178 -1.889 1.00 72.41 O ATOM 1645 OD2 ASP A 114 -6.354 10.234 -2.262 1.00 33.32 O ATOM 0 H ASP A 114 -5.968 9.059 2.545 1.00 43.23 H new ATOM 0 HA ASP A 114 -7.701 7.861 0.420 1.00 14.33 H new ATOM 0 HB2 ASP A 114 -7.719 10.399 0.459 1.00 55.32 H new ATOM 0 HB3 ASP A 114 -5.988 10.352 0.187 1.00 55.32 H new ATOM 1650 N LEU A 115 -5.715 6.414 0.056 1.00 41.45 N ATOM 1651 CA LEU A 115 -4.569 5.554 -0.145 1.00 25.24 C ATOM 1652 C LEU A 115 -4.745 4.728 -1.424 1.00 12.41 C ATOM 1653 O LEU A 115 -5.766 4.055 -1.609 1.00 31.01 O ATOM 1654 CB LEU A 115 -4.437 4.621 1.107 1.00 40.14 C ATOM 1655 CG LEU A 115 -3.114 3.856 1.328 1.00 73.21 C ATOM 1656 CD1 LEU A 115 -3.145 3.164 2.681 1.00 74.22 C ATOM 1657 CD2 LEU A 115 -2.884 2.825 0.253 1.00 13.32 C ATOM 0 H LEU A 115 -6.617 5.959 -0.086 1.00 41.45 H new ATOM 0 HA LEU A 115 -3.663 6.149 -0.259 1.00 25.24 H new ATOM 0 HB2 LEU A 115 -4.618 5.230 1.993 1.00 40.14 H new ATOM 0 HB3 LEU A 115 -5.239 3.885 1.056 1.00 40.14 H new ATOM 0 HG LEU A 115 -2.300 4.580 1.290 1.00 73.21 H new ATOM 0 HD11 LEU A 115 -2.210 2.625 2.835 1.00 74.22 H new ATOM 0 HD12 LEU A 115 -3.268 3.908 3.468 1.00 74.22 H new ATOM 0 HD13 LEU A 115 -3.978 2.462 2.712 1.00 74.22 H new ATOM 0 HD21 LEU A 115 -1.944 2.307 0.441 1.00 13.32 H new ATOM 0 HD22 LEU A 115 -3.703 2.105 0.258 1.00 13.32 H new ATOM 0 HD23 LEU A 115 -2.839 3.316 -0.719 1.00 13.32 H new ATOM 1665 N SER A 116 -3.758 4.771 -2.279 1.00 30.15 N ATOM 1666 CA SER A 116 -3.757 3.995 -3.478 1.00 72.12 C ATOM 1667 C SER A 116 -2.698 2.886 -3.420 1.00 3.41 C ATOM 1668 O SER A 116 -1.572 3.085 -2.938 1.00 51.04 O ATOM 1669 CB SER A 116 -3.541 4.882 -4.692 1.00 11.52 C ATOM 1670 OG SER A 116 -4.584 5.834 -4.816 1.00 14.32 O ATOM 0 H SER A 116 -2.928 5.352 -2.157 1.00 30.15 H new ATOM 0 HA SER A 116 -4.734 3.520 -3.570 1.00 72.12 H new ATOM 0 HB2 SER A 116 -2.583 5.395 -4.606 1.00 11.52 H new ATOM 0 HB3 SER A 116 -3.495 4.269 -5.592 1.00 11.52 H new ATOM 0 HG SER A 116 -4.771 6.230 -3.939 1.00 14.32 H new ATOM 1676 N MET A 117 -3.071 1.739 -3.894 1.00 43.33 N ATOM 1677 CA MET A 117 -2.213 0.578 -3.931 1.00 22.02 C ATOM 1678 C MET A 117 -2.509 -0.168 -5.226 1.00 25.35 C ATOM 1679 O MET A 117 -3.521 0.104 -5.864 1.00 22.31 O ATOM 1680 CB MET A 117 -2.489 -0.336 -2.699 1.00 20.21 C ATOM 1681 CG MET A 117 -3.924 -0.838 -2.602 1.00 15.14 C ATOM 1682 SD MET A 117 -4.256 -1.858 -1.135 1.00 53.55 S ATOM 1683 CE MET A 117 -4.000 -0.690 0.214 1.00 3.52 C ATOM 0 H MET A 117 -4.001 1.571 -4.277 1.00 43.33 H new ATOM 0 HA MET A 117 -1.164 0.874 -3.894 1.00 22.02 H new ATOM 0 HB2 MET A 117 -1.818 -1.194 -2.740 1.00 20.21 H new ATOM 0 HB3 MET A 117 -2.247 0.215 -1.790 1.00 20.21 H new ATOM 0 HG2 MET A 117 -4.598 0.019 -2.595 1.00 15.14 H new ATOM 0 HG3 MET A 117 -4.156 -1.419 -3.495 1.00 15.14 H new ATOM 0 HE1 MET A 117 -4.292 -1.153 1.157 1.00 3.52 H new ATOM 0 HE2 MET A 117 -2.948 -0.410 0.258 1.00 3.52 H new ATOM 0 HE3 MET A 117 -4.606 0.200 0.044 1.00 3.52 H new ATOM 1693 N PRO A 118 -1.641 -1.071 -5.674 1.00 23.14 N ATOM 1694 CA PRO A 118 -1.930 -1.873 -6.837 1.00 73.45 C ATOM 1695 C PRO A 118 -2.673 -3.132 -6.402 1.00 23.41 C ATOM 1696 O PRO A 118 -3.096 -3.237 -5.245 1.00 53.32 O ATOM 1697 CB PRO A 118 -0.538 -2.217 -7.369 1.00 4.20 C ATOM 1698 CG PRO A 118 0.345 -2.250 -6.157 1.00 20.01 C ATOM 1699 CD PRO A 118 -0.318 -1.389 -5.097 1.00 22.33 C ATOM 0 HA PRO A 118 -2.554 -1.378 -7.581 1.00 73.45 H new ATOM 0 HB2 PRO A 118 -0.539 -3.178 -7.883 1.00 4.20 H new ATOM 0 HB3 PRO A 118 -0.195 -1.472 -8.087 1.00 4.20 H new ATOM 0 HG2 PRO A 118 0.470 -3.272 -5.800 1.00 20.01 H new ATOM 0 HG3 PRO A 118 1.339 -1.871 -6.394 1.00 20.01 H new ATOM 0 HD2 PRO A 118 -0.412 -1.922 -4.151 1.00 22.33 H new ATOM 0 HD3 PRO A 118 0.259 -0.486 -4.898 1.00 22.33 H new ATOM 1707 N ARG A 119 -2.836 -4.082 -7.288 1.00 42.45 N ATOM 1708 CA ARG A 119 -3.486 -5.311 -6.896 1.00 54.42 C ATOM 1709 C ARG A 119 -2.502 -6.195 -6.147 1.00 63.03 C ATOM 1710 O ARG A 119 -1.795 -7.015 -6.745 1.00 24.35 O ATOM 1711 CB ARG A 119 -4.098 -6.058 -8.087 1.00 45.14 C ATOM 1712 CG ARG A 119 -5.104 -5.238 -8.875 1.00 40.24 C ATOM 1713 CD ARG A 119 -5.745 -6.052 -9.986 1.00 73.23 C ATOM 1714 NE ARG A 119 -6.662 -7.082 -9.489 1.00 34.34 N ATOM 1715 CZ ARG A 119 -6.909 -8.255 -10.089 1.00 74.44 C ATOM 1716 NH1 ARG A 119 -6.202 -8.633 -11.154 1.00 3.41 N ATOM 1717 NH2 ARG A 119 -7.872 -9.046 -9.625 1.00 14.40 N ATOM 0 H ARG A 119 -2.537 -4.034 -8.262 1.00 42.45 H new ATOM 0 HA ARG A 119 -4.315 -5.052 -6.237 1.00 54.42 H new ATOM 0 HB2 ARG A 119 -3.297 -6.374 -8.756 1.00 45.14 H new ATOM 0 HB3 ARG A 119 -4.586 -6.963 -7.724 1.00 45.14 H new ATOM 0 HG2 ARG A 119 -5.878 -4.867 -8.203 1.00 40.24 H new ATOM 0 HG3 ARG A 119 -4.608 -4.366 -9.302 1.00 40.24 H new ATOM 0 HD2 ARG A 119 -6.288 -5.382 -10.652 1.00 73.23 H new ATOM 0 HD3 ARG A 119 -4.963 -6.526 -10.579 1.00 73.23 H new ATOM 0 HE ARG A 119 -7.152 -6.891 -8.615 1.00 34.34 H new ATOM 0 HH11 ARG A 119 -5.466 -8.028 -11.519 1.00 3.41 H new ATOM 0 HH12 ARG A 119 -6.397 -9.527 -11.604 1.00 3.41 H new ATOM 0 HH21 ARG A 119 -8.421 -8.760 -8.814 1.00 14.40 H new ATOM 0 HH22 ARG A 119 -8.062 -9.939 -10.080 1.00 14.40 H new ATOM 1729 N ILE A 120 -2.391 -5.958 -4.864 1.00 20.14 N ATOM 1730 CA ILE A 120 -1.521 -6.725 -4.029 1.00 21.31 C ATOM 1731 C ILE A 120 -2.176 -8.032 -3.600 1.00 62.10 C ATOM 1732 O ILE A 120 -3.167 -8.050 -2.906 1.00 2.41 O ATOM 1733 CB ILE A 120 -0.855 -5.875 -2.854 1.00 23.34 C ATOM 1734 CG1 ILE A 120 -1.860 -5.052 -1.997 1.00 40.15 C ATOM 1735 CG2 ILE A 120 0.194 -4.938 -3.412 1.00 12.03 C ATOM 1736 CD1 ILE A 120 -2.701 -5.830 -1.032 1.00 54.22 C ATOM 0 H ILE A 120 -2.905 -5.225 -4.375 1.00 20.14 H new ATOM 0 HA ILE A 120 -0.660 -7.018 -4.630 1.00 21.31 H new ATOM 0 HB ILE A 120 -0.411 -6.614 -2.188 1.00 23.34 H new ATOM 0 HG12 ILE A 120 -1.299 -4.304 -1.437 1.00 40.15 H new ATOM 0 HG13 ILE A 120 -2.524 -4.513 -2.672 1.00 40.15 H new ATOM 0 HG21 ILE A 120 0.639 -4.365 -2.599 1.00 12.03 H new ATOM 0 HG22 ILE A 120 0.969 -5.517 -3.915 1.00 12.03 H new ATOM 0 HG23 ILE A 120 -0.269 -4.256 -4.125 1.00 12.03 H new ATOM 0 HD11 ILE A 120 -3.360 -5.150 -0.493 1.00 54.22 H new ATOM 0 HD12 ILE A 120 -3.300 -6.560 -1.577 1.00 54.22 H new ATOM 0 HD13 ILE A 120 -2.056 -6.348 -0.322 1.00 54.22 H new ATOM 1743 N GLY A 121 -1.648 -9.103 -4.101 1.00 24.04 N ATOM 1744 CA GLY A 121 -2.217 -10.391 -3.834 1.00 2.31 C ATOM 1745 C GLY A 121 -2.268 -11.213 -5.086 1.00 42.02 C ATOM 1746 O GLY A 121 -3.348 -11.635 -5.519 1.00 12.31 O ATOM 0 H GLY A 121 -0.822 -9.114 -4.699 1.00 24.04 H new ATOM 0 HA2 GLY A 121 -1.625 -10.907 -3.078 1.00 2.31 H new ATOM 0 HA3 GLY A 121 -3.222 -10.274 -3.428 1.00 2.31 H new ATOM 1750 N CYS A 122 -1.093 -11.429 -5.693 1.00 53.33 N ATOM 1751 CA CYS A 122 -1.005 -12.167 -6.949 1.00 33.20 C ATOM 1752 C CYS A 122 0.450 -12.477 -7.378 1.00 51.52 C ATOM 1753 O CYS A 122 0.833 -13.641 -7.463 1.00 12.15 O ATOM 1754 CB CYS A 122 -1.764 -11.427 -8.077 1.00 14.53 C ATOM 1755 SG CYS A 122 -1.238 -9.701 -8.336 1.00 24.12 S ATOM 0 H CYS A 122 -0.197 -11.102 -5.332 1.00 53.33 H new ATOM 0 HA CYS A 122 -1.483 -13.130 -6.771 1.00 33.20 H new ATOM 0 HB2 CYS A 122 -1.632 -11.977 -9.008 1.00 14.53 H new ATOM 0 HB3 CYS A 122 -2.830 -11.438 -7.849 1.00 14.53 H new ATOM 0 HG CYS A 122 -1.736 -8.950 -7.399 1.00 24.12 H new ATOM 1761 N GLY A 123 1.243 -11.423 -7.644 1.00 3.35 N ATOM 1762 CA GLY A 123 2.617 -11.589 -8.163 1.00 44.33 C ATOM 1763 C GLY A 123 3.604 -12.177 -7.161 1.00 75.12 C ATOM 1764 O GLY A 123 3.556 -13.366 -6.849 1.00 74.41 O ATOM 0 H GLY A 123 0.960 -10.452 -7.510 1.00 3.35 H new ATOM 0 HA2 GLY A 123 2.585 -12.232 -9.042 1.00 44.33 H new ATOM 0 HA3 GLY A 123 2.987 -10.618 -8.492 1.00 44.33 H new ATOM 1768 N LEU A 124 4.504 -11.337 -6.649 1.00 35.42 N ATOM 1769 CA LEU A 124 5.518 -11.761 -5.645 1.00 10.51 C ATOM 1770 C LEU A 124 4.826 -12.228 -4.371 1.00 43.21 C ATOM 1771 O LEU A 124 5.384 -12.971 -3.574 1.00 22.44 O ATOM 1772 CB LEU A 124 6.491 -10.600 -5.293 1.00 31.34 C ATOM 1773 CG LEU A 124 7.467 -10.079 -6.379 1.00 0.52 C ATOM 1774 CD1 LEU A 124 6.740 -9.499 -7.585 1.00 52.25 C ATOM 1775 CD2 LEU A 124 8.401 -9.038 -5.773 1.00 11.31 C ATOM 0 H LEU A 124 4.563 -10.352 -6.906 1.00 35.42 H new ATOM 0 HA LEU A 124 6.092 -12.578 -6.082 1.00 10.51 H new ATOM 0 HB2 LEU A 124 5.888 -9.755 -4.961 1.00 31.34 H new ATOM 0 HB3 LEU A 124 7.089 -10.920 -4.440 1.00 31.34 H new ATOM 0 HG LEU A 124 8.045 -10.931 -6.737 1.00 0.52 H new ATOM 0 HD11 LEU A 124 7.469 -9.149 -8.315 1.00 52.25 H new ATOM 0 HD12 LEU A 124 6.114 -10.268 -8.037 1.00 52.25 H new ATOM 0 HD13 LEU A 124 6.116 -8.664 -7.267 1.00 52.25 H new ATOM 0 HD21 LEU A 124 9.086 -8.674 -6.539 1.00 11.31 H new ATOM 0 HD22 LEU A 124 7.815 -8.205 -5.385 1.00 11.31 H new ATOM 0 HD23 LEU A 124 8.971 -9.490 -4.961 1.00 11.31 H new ATOM 1783 N ASP A 125 3.606 -11.769 -4.224 1.00 14.53 N ATOM 1784 CA ASP A 125 2.748 -12.066 -3.096 1.00 1.44 C ATOM 1785 C ASP A 125 2.367 -13.551 -3.051 1.00 70.41 C ATOM 1786 O ASP A 125 2.309 -14.151 -1.986 1.00 63.03 O ATOM 1787 CB ASP A 125 1.515 -11.202 -3.224 1.00 55.04 C ATOM 1788 CG ASP A 125 0.489 -11.485 -2.190 1.00 61.23 C ATOM 1789 OD1 ASP A 125 0.550 -10.894 -1.108 1.00 44.14 O ATOM 1790 OD2 ASP A 125 -0.398 -12.282 -2.495 1.00 60.15 O ATOM 0 H ASP A 125 3.165 -11.156 -4.910 1.00 14.53 H new ATOM 0 HA ASP A 125 3.274 -11.853 -2.166 1.00 1.44 H new ATOM 0 HB2 ASP A 125 1.806 -10.154 -3.159 1.00 55.04 H new ATOM 0 HB3 ASP A 125 1.077 -11.351 -4.211 1.00 55.04 H new ATOM 1795 N ARG A 126 2.135 -14.142 -4.238 1.00 51.53 N ATOM 1796 CA ARG A 126 1.840 -15.578 -4.390 1.00 35.44 C ATOM 1797 C ARG A 126 0.500 -16.018 -3.770 1.00 44.55 C ATOM 1798 O ARG A 126 0.206 -17.223 -3.709 1.00 11.23 O ATOM 1799 CB ARG A 126 2.973 -16.394 -3.806 1.00 71.54 C ATOM 1800 CG ARG A 126 4.293 -16.093 -4.460 1.00 72.24 C ATOM 1801 CD ARG A 126 5.385 -16.739 -3.707 1.00 34.33 C ATOM 1802 NE ARG A 126 6.702 -16.337 -4.203 1.00 61.31 N ATOM 1803 CZ ARG A 126 7.685 -15.825 -3.440 1.00 51.31 C ATOM 1804 NH1 ARG A 126 7.507 -15.655 -2.132 1.00 72.41 N ATOM 1805 NH2 ARG A 126 8.841 -15.478 -3.986 1.00 61.33 N ATOM 0 H ARG A 126 2.147 -13.634 -5.122 1.00 51.53 H new ATOM 0 HA ARG A 126 1.745 -15.758 -5.461 1.00 35.44 H new ATOM 0 HB2 ARG A 126 3.047 -16.195 -2.737 1.00 71.54 H new ATOM 0 HB3 ARG A 126 2.749 -17.455 -3.918 1.00 71.54 H new ATOM 0 HG2 ARG A 126 4.288 -16.450 -5.490 1.00 72.24 H new ATOM 0 HG3 ARG A 126 4.453 -15.015 -4.497 1.00 72.24 H new ATOM 0 HD2 ARG A 126 5.300 -16.481 -2.651 1.00 34.33 H new ATOM 0 HD3 ARG A 126 5.285 -17.822 -3.779 1.00 34.33 H new ATOM 0 HE ARG A 126 6.888 -16.453 -5.199 1.00 61.31 H new ATOM 0 HH11 ARG A 126 6.620 -15.914 -1.700 1.00 72.41 H new ATOM 0 HH12 ARG A 126 8.258 -15.266 -1.561 1.00 72.41 H new ATOM 0 HH21 ARG A 126 8.988 -15.599 -4.988 1.00 61.33 H new ATOM 0 HH22 ARG A 126 9.584 -15.090 -3.404 1.00 61.33 H new ATOM 1817 N LEU A 127 -0.308 -15.072 -3.321 1.00 75.32 N ATOM 1818 CA LEU A 127 -1.586 -15.389 -2.721 1.00 12.21 C ATOM 1819 C LEU A 127 -2.680 -15.001 -3.696 1.00 43.23 C ATOM 1820 O LEU A 127 -2.396 -14.508 -4.791 1.00 20.13 O ATOM 1821 CB LEU A 127 -1.781 -14.610 -1.401 1.00 2.25 C ATOM 1822 CG LEU A 127 -0.656 -14.719 -0.355 1.00 73.14 C ATOM 1823 CD1 LEU A 127 -0.964 -13.856 0.856 1.00 14.00 C ATOM 1824 CD2 LEU A 127 -0.427 -16.157 0.067 1.00 51.04 C ATOM 0 H LEU A 127 -0.097 -14.075 -3.363 1.00 75.32 H new ATOM 0 HA LEU A 127 -1.624 -16.456 -2.499 1.00 12.21 H new ATOM 0 HB2 LEU A 127 -1.916 -13.556 -1.646 1.00 2.25 H new ATOM 0 HB3 LEU A 127 -2.708 -14.951 -0.939 1.00 2.25 H new ATOM 0 HG LEU A 127 0.261 -14.356 -0.820 1.00 73.14 H new ATOM 0 HD11 LEU A 127 -0.157 -13.947 1.583 1.00 14.00 H new ATOM 0 HD12 LEU A 127 -1.058 -12.815 0.547 1.00 14.00 H new ATOM 0 HD13 LEU A 127 -1.899 -14.185 1.309 1.00 14.00 H new ATOM 0 HD21 LEU A 127 0.374 -16.196 0.806 1.00 51.04 H new ATOM 0 HD22 LEU A 127 -1.342 -16.559 0.502 1.00 51.04 H new ATOM 0 HD23 LEU A 127 -0.148 -16.751 -0.803 1.00 51.04 H new ATOM 1832 N GLN A 128 -3.905 -15.262 -3.335 1.00 20.40 N ATOM 1833 CA GLN A 128 -5.033 -14.865 -4.147 1.00 32.42 C ATOM 1834 C GLN A 128 -5.621 -13.596 -3.610 1.00 1.41 C ATOM 1835 O GLN A 128 -5.807 -13.463 -2.380 1.00 41.34 O ATOM 1836 CB GLN A 128 -6.148 -15.930 -4.184 1.00 4.21 C ATOM 1837 CG GLN A 128 -5.827 -17.244 -4.879 1.00 74.33 C ATOM 1838 CD GLN A 128 -4.718 -18.039 -4.230 1.00 5.42 C ATOM 1839 OE1 GLN A 128 -4.510 -17.967 -3.015 1.00 53.35 O ATOM 1840 NE2 GLN A 128 -4.020 -18.810 -5.017 1.00 51.11 N ATOM 0 H GLN A 128 -4.154 -15.752 -2.476 1.00 20.40 H new ATOM 0 HA GLN A 128 -4.654 -14.731 -5.160 1.00 32.42 H new ATOM 0 HB2 GLN A 128 -6.438 -16.152 -3.157 1.00 4.21 H new ATOM 0 HB3 GLN A 128 -7.018 -15.492 -4.673 1.00 4.21 H new ATOM 0 HG2 GLN A 128 -6.728 -17.856 -4.906 1.00 74.33 H new ATOM 0 HG3 GLN A 128 -5.551 -17.036 -5.913 1.00 74.33 H new ATOM 0 HE21 GLN A 128 -4.225 -18.839 -6.016 1.00 51.11 H new ATOM 0 HE22 GLN A 128 -3.269 -19.384 -4.634 1.00 51.11 H new ATOM 1848 N TRP A 129 -5.945 -12.689 -4.510 1.00 73.12 N ATOM 1849 CA TRP A 129 -6.611 -11.431 -4.187 1.00 34.44 C ATOM 1850 C TRP A 129 -7.925 -11.700 -3.453 1.00 21.21 C ATOM 1851 O TRP A 129 -8.363 -10.894 -2.645 1.00 60.02 O ATOM 1852 CB TRP A 129 -6.836 -10.611 -5.478 1.00 61.02 C ATOM 1853 CG TRP A 129 -7.594 -9.337 -5.279 1.00 62.10 C ATOM 1854 CD1 TRP A 129 -8.917 -9.139 -5.520 1.00 44.44 C ATOM 1855 CD2 TRP A 129 -7.086 -8.095 -4.784 1.00 72.15 C ATOM 1856 NE1 TRP A 129 -9.264 -7.857 -5.214 1.00 3.11 N ATOM 1857 CE2 TRP A 129 -8.159 -7.192 -4.757 1.00 33.44 C ATOM 1858 CE3 TRP A 129 -5.837 -7.659 -4.364 1.00 43.41 C ATOM 1859 CZ2 TRP A 129 -8.021 -5.880 -4.324 1.00 35.15 C ATOM 1860 CZ3 TRP A 129 -5.697 -6.354 -3.933 1.00 21.24 C ATOM 1861 CH2 TRP A 129 -6.784 -5.481 -3.915 1.00 43.11 C ATOM 0 H TRP A 129 -5.752 -12.802 -5.505 1.00 73.12 H new ATOM 0 HA TRP A 129 -5.977 -10.845 -3.521 1.00 34.44 H new ATOM 0 HB2 TRP A 129 -5.867 -10.377 -5.919 1.00 61.02 H new ATOM 0 HB3 TRP A 129 -7.372 -11.230 -6.198 1.00 61.02 H new ATOM 0 HD1 TRP A 129 -9.595 -9.889 -5.899 1.00 44.44 H new ATOM 0 HE1 TRP A 129 -10.198 -7.457 -5.310 1.00 3.11 H new ATOM 0 HE3 TRP A 129 -4.989 -8.328 -4.374 1.00 43.41 H new ATOM 0 HZ2 TRP A 129 -8.862 -5.202 -4.312 1.00 35.15 H new ATOM 0 HZ3 TRP A 129 -4.729 -6.004 -3.605 1.00 21.24 H new ATOM 0 HH2 TRP A 129 -6.643 -4.467 -3.570 1.00 43.11 H new ATOM 1872 N GLU A 130 -8.516 -12.858 -3.731 1.00 53.32 N ATOM 1873 CA GLU A 130 -9.730 -13.329 -3.066 1.00 50.14 C ATOM 1874 C GLU A 130 -9.571 -13.240 -1.536 1.00 12.14 C ATOM 1875 O GLU A 130 -10.456 -12.746 -0.837 1.00 74.23 O ATOM 1876 CB GLU A 130 -9.992 -14.787 -3.480 1.00 75.21 C ATOM 1877 CG GLU A 130 -11.233 -15.422 -2.860 1.00 0.30 C ATOM 1878 CD GLU A 130 -11.422 -16.857 -3.299 1.00 74.14 C ATOM 1879 OE1 GLU A 130 -10.842 -17.761 -2.671 1.00 23.13 O ATOM 1880 OE2 GLU A 130 -12.137 -17.096 -4.284 1.00 12.33 O ATOM 0 H GLU A 130 -8.161 -13.506 -4.434 1.00 53.32 H new ATOM 0 HA GLU A 130 -10.571 -12.703 -3.363 1.00 50.14 H new ATOM 0 HB2 GLU A 130 -10.085 -14.829 -4.565 1.00 75.21 H new ATOM 0 HB3 GLU A 130 -9.123 -15.387 -3.211 1.00 75.21 H new ATOM 0 HG2 GLU A 130 -11.154 -15.384 -1.774 1.00 0.30 H new ATOM 0 HG3 GLU A 130 -12.113 -14.841 -3.136 1.00 0.30 H new ATOM 1887 N ASN A 131 -8.435 -13.708 -1.042 1.00 3.21 N ATOM 1888 CA ASN A 131 -8.154 -13.694 0.399 1.00 43.23 C ATOM 1889 C ASN A 131 -7.789 -12.293 0.845 1.00 31.10 C ATOM 1890 O ASN A 131 -8.313 -11.779 1.827 1.00 61.13 O ATOM 1891 CB ASN A 131 -6.956 -14.596 0.744 1.00 72.24 C ATOM 1892 CG ASN A 131 -7.054 -16.004 0.217 1.00 50.45 C ATOM 1893 OD1 ASN A 131 -6.500 -16.213 -0.950 1.00 23.01 O flip ATOM 1894 ND2 ASN A 131 -7.596 -16.902 0.861 1.00 23.12 N flip ATOM 0 H ASN A 131 -7.688 -14.104 -1.612 1.00 3.21 H new ATOM 0 HA ASN A 131 -9.053 -14.051 0.901 1.00 43.23 H new ATOM 0 HB2 ASN A 131 -6.049 -14.138 0.350 1.00 72.24 H new ATOM 0 HB3 ASN A 131 -6.849 -14.635 1.828 1.00 72.24 H new ATOM 0 HD21 ASN A 131 -8.016 -16.697 1.767 1.00 23.12 H new ATOM 0 HD22 ASN A 131 -7.625 -17.851 0.488 1.00 23.12 H new ATOM 1900 N VAL A 132 -6.891 -11.679 0.085 1.00 14.21 N ATOM 1901 CA VAL A 132 -6.309 -10.390 0.437 1.00 53.42 C ATOM 1902 C VAL A 132 -7.348 -9.273 0.482 1.00 14.54 C ATOM 1903 O VAL A 132 -7.471 -8.586 1.488 1.00 44.44 O ATOM 1904 CB VAL A 132 -5.155 -10.011 -0.521 1.00 41.05 C ATOM 1905 CG1 VAL A 132 -4.520 -8.701 -0.099 1.00 62.23 C ATOM 1906 CG2 VAL A 132 -4.112 -11.124 -0.574 1.00 60.45 C ATOM 0 H VAL A 132 -6.545 -12.062 -0.795 1.00 14.21 H new ATOM 0 HA VAL A 132 -5.905 -10.502 1.443 1.00 53.42 H new ATOM 0 HB VAL A 132 -5.568 -9.884 -1.522 1.00 41.05 H new ATOM 0 HG11 VAL A 132 -3.711 -8.451 -0.785 1.00 62.23 H new ATOM 0 HG12 VAL A 132 -5.270 -7.910 -0.119 1.00 62.23 H new ATOM 0 HG13 VAL A 132 -4.122 -8.798 0.911 1.00 62.23 H new ATOM 0 HG21 VAL A 132 -3.309 -10.838 -1.253 1.00 60.45 H new ATOM 0 HG22 VAL A 132 -3.703 -11.287 0.423 1.00 60.45 H new ATOM 0 HG23 VAL A 132 -4.578 -12.043 -0.930 1.00 60.45 H new ATOM 1912 N SER A 133 -8.102 -9.121 -0.596 1.00 62.22 N ATOM 1913 CA SER A 133 -9.134 -8.098 -0.701 1.00 71.24 C ATOM 1914 C SER A 133 -10.124 -8.220 0.439 1.00 22.33 C ATOM 1915 O SER A 133 -10.511 -7.223 1.039 1.00 4.02 O ATOM 1916 CB SER A 133 -9.846 -8.220 -2.055 1.00 23.42 C ATOM 1917 OG SER A 133 -10.914 -7.292 -2.204 1.00 75.52 O ATOM 0 H SER A 133 -8.016 -9.706 -1.427 1.00 62.22 H new ATOM 0 HA SER A 133 -8.668 -7.115 -0.635 1.00 71.24 H new ATOM 0 HB2 SER A 133 -9.123 -8.065 -2.856 1.00 23.42 H new ATOM 0 HB3 SER A 133 -10.233 -9.233 -2.166 1.00 23.42 H new ATOM 0 HG SER A 133 -11.331 -7.412 -3.083 1.00 75.52 H new ATOM 1923 N ALA A 134 -10.490 -9.452 0.754 1.00 1.32 N ATOM 1924 CA ALA A 134 -11.428 -9.737 1.823 1.00 31.34 C ATOM 1925 C ALA A 134 -10.860 -9.273 3.155 1.00 40.41 C ATOM 1926 O ALA A 134 -11.534 -8.599 3.930 1.00 40.03 O ATOM 1927 CB ALA A 134 -11.705 -11.224 1.861 1.00 60.54 C ATOM 0 H ALA A 134 -10.143 -10.282 0.274 1.00 1.32 H new ATOM 0 HA ALA A 134 -12.360 -9.202 1.640 1.00 31.34 H new ATOM 0 HB1 ALA A 134 -12.410 -11.442 2.663 1.00 60.54 H new ATOM 0 HB2 ALA A 134 -12.131 -11.539 0.908 1.00 60.54 H new ATOM 0 HB3 ALA A 134 -10.774 -11.763 2.039 1.00 60.54 H new ATOM 1933 N MET A 135 -9.610 -9.621 3.388 1.00 43.35 N ATOM 1934 CA MET A 135 -8.904 -9.244 4.600 1.00 63.12 C ATOM 1935 C MET A 135 -8.883 -7.719 4.742 1.00 34.11 C ATOM 1936 O MET A 135 -9.228 -7.178 5.794 1.00 52.41 O ATOM 1937 CB MET A 135 -7.473 -9.784 4.542 1.00 22.33 C ATOM 1938 CG MET A 135 -6.647 -9.523 5.790 1.00 20.05 C ATOM 1939 SD MET A 135 -4.930 -10.059 5.608 1.00 62.13 S ATOM 1940 CE MET A 135 -5.136 -11.802 5.260 1.00 10.32 C ATOM 0 H MET A 135 -9.051 -10.176 2.740 1.00 43.35 H new ATOM 0 HA MET A 135 -9.416 -9.668 5.463 1.00 63.12 H new ATOM 0 HB2 MET A 135 -7.511 -10.859 4.366 1.00 22.33 H new ATOM 0 HB3 MET A 135 -6.965 -9.339 3.686 1.00 22.33 H new ATOM 0 HG2 MET A 135 -6.669 -8.458 6.020 1.00 20.05 H new ATOM 0 HG3 MET A 135 -7.099 -10.042 6.636 1.00 20.05 H new ATOM 0 HE1 MET A 135 -4.166 -12.298 5.300 1.00 10.32 H new ATOM 0 HE2 MET A 135 -5.801 -12.245 6.001 1.00 10.32 H new ATOM 0 HE3 MET A 135 -5.566 -11.926 4.266 1.00 10.32 H new ATOM 1950 N ILE A 136 -8.508 -7.041 3.666 1.00 30.53 N ATOM 1951 CA ILE A 136 -8.427 -5.597 3.640 1.00 44.23 C ATOM 1952 C ILE A 136 -9.807 -4.970 3.890 1.00 33.13 C ATOM 1953 O ILE A 136 -9.947 -4.077 4.732 1.00 32.42 O ATOM 1954 CB ILE A 136 -7.870 -5.095 2.274 1.00 4.23 C ATOM 1955 CG1 ILE A 136 -6.499 -5.707 1.994 1.00 72.45 C ATOM 1956 CG2 ILE A 136 -7.762 -3.573 2.263 1.00 54.30 C ATOM 1957 CD1 ILE A 136 -5.938 -5.348 0.637 1.00 22.42 C ATOM 0 H ILE A 136 -8.251 -7.485 2.784 1.00 30.53 H new ATOM 0 HA ILE A 136 -7.746 -5.291 4.434 1.00 44.23 H new ATOM 0 HB ILE A 136 -8.565 -5.407 1.494 1.00 4.23 H new ATOM 0 HG12 ILE A 136 -5.801 -5.379 2.764 1.00 72.45 H new ATOM 0 HG13 ILE A 136 -6.573 -6.792 2.071 1.00 72.45 H new ATOM 0 HG21 ILE A 136 -7.371 -3.243 1.301 1.00 54.30 H new ATOM 0 HG22 ILE A 136 -8.748 -3.137 2.423 1.00 54.30 H new ATOM 0 HG23 ILE A 136 -7.089 -3.250 3.058 1.00 54.30 H new ATOM 0 HD11 ILE A 136 -4.963 -5.819 0.510 1.00 22.42 H new ATOM 0 HD12 ILE A 136 -6.615 -5.700 -0.141 1.00 22.42 H new ATOM 0 HD13 ILE A 136 -5.831 -4.266 0.562 1.00 22.42 H new ATOM 1964 N GLU A 137 -10.828 -5.461 3.192 1.00 3.24 N ATOM 1965 CA GLU A 137 -12.150 -4.871 3.300 1.00 10.21 C ATOM 1966 C GLU A 137 -12.773 -5.045 4.683 1.00 14.03 C ATOM 1967 O GLU A 137 -13.552 -4.200 5.110 1.00 61.23 O ATOM 1968 CB GLU A 137 -13.087 -5.254 2.108 1.00 13.12 C ATOM 1969 CG GLU A 137 -13.507 -6.720 1.948 1.00 65.11 C ATOM 1970 CD GLU A 137 -14.570 -7.185 2.918 1.00 73.22 C ATOM 1971 OE1 GLU A 137 -15.312 -6.332 3.470 1.00 53.20 O ATOM 1972 OE2 GLU A 137 -14.742 -8.415 3.075 1.00 0.01 O ATOM 0 H GLU A 137 -10.763 -6.255 2.555 1.00 3.24 H new ATOM 0 HA GLU A 137 -12.014 -3.794 3.203 1.00 10.21 H new ATOM 0 HB2 GLU A 137 -13.995 -4.657 2.195 1.00 13.12 H new ATOM 0 HB3 GLU A 137 -12.592 -4.949 1.186 1.00 13.12 H new ATOM 0 HG2 GLU A 137 -13.872 -6.870 0.932 1.00 65.11 H new ATOM 0 HG3 GLU A 137 -12.626 -7.351 2.067 1.00 65.11 H new ATOM 1979 N GLU A 138 -12.419 -6.127 5.374 1.00 13.32 N ATOM 1980 CA GLU A 138 -12.887 -6.354 6.739 1.00 10.54 C ATOM 1981 C GLU A 138 -12.123 -5.492 7.749 1.00 51.21 C ATOM 1982 O GLU A 138 -12.726 -4.827 8.594 1.00 73.31 O ATOM 1983 CB GLU A 138 -12.772 -7.828 7.133 1.00 22.31 C ATOM 1984 CG GLU A 138 -13.679 -8.763 6.360 1.00 50.54 C ATOM 1985 CD GLU A 138 -13.510 -10.198 6.781 1.00 75.10 C ATOM 1986 OE1 GLU A 138 -13.928 -10.553 7.907 1.00 14.53 O ATOM 1987 OE2 GLU A 138 -12.935 -10.996 6.011 1.00 22.41 O ATOM 0 H GLU A 138 -11.810 -6.860 5.011 1.00 13.32 H new ATOM 0 HA GLU A 138 -13.938 -6.066 6.760 1.00 10.54 H new ATOM 0 HB2 GLU A 138 -11.739 -8.148 6.993 1.00 22.31 H new ATOM 0 HB3 GLU A 138 -12.994 -7.924 8.196 1.00 22.31 H new ATOM 0 HG2 GLU A 138 -14.717 -8.463 6.507 1.00 50.54 H new ATOM 0 HG3 GLU A 138 -13.468 -8.672 5.294 1.00 50.54 H new ATOM 1994 N VAL A 139 -10.802 -5.503 7.657 1.00 1.44 N ATOM 1995 CA VAL A 139 -9.948 -4.772 8.601 1.00 60.42 C ATOM 1996 C VAL A 139 -10.123 -3.230 8.482 1.00 22.04 C ATOM 1997 O VAL A 139 -10.047 -2.499 9.482 1.00 44.22 O ATOM 1998 CB VAL A 139 -8.437 -5.195 8.451 1.00 15.31 C ATOM 1999 CG1 VAL A 139 -7.533 -4.387 9.362 1.00 43.23 C ATOM 2000 CG2 VAL A 139 -8.267 -6.683 8.756 1.00 41.10 C ATOM 0 H VAL A 139 -10.289 -6.011 6.936 1.00 1.44 H new ATOM 0 HA VAL A 139 -10.273 -5.048 9.604 1.00 60.42 H new ATOM 0 HB VAL A 139 -8.147 -4.996 7.419 1.00 15.31 H new ATOM 0 HG11 VAL A 139 -6.500 -4.709 9.228 1.00 43.23 H new ATOM 0 HG12 VAL A 139 -7.618 -3.329 9.114 1.00 43.23 H new ATOM 0 HG13 VAL A 139 -7.830 -4.541 10.399 1.00 43.23 H new ATOM 0 HG21 VAL A 139 -7.218 -6.959 8.648 1.00 41.10 H new ATOM 0 HG22 VAL A 139 -8.592 -6.885 9.777 1.00 41.10 H new ATOM 0 HG23 VAL A 139 -8.870 -7.268 8.061 1.00 41.10 H new ATOM 2006 N PHE A 140 -10.357 -2.748 7.276 1.00 40.25 N ATOM 2007 CA PHE A 140 -10.561 -1.310 7.041 1.00 4.31 C ATOM 2008 C PHE A 140 -12.049 -0.935 6.973 1.00 12.44 C ATOM 2009 O PHE A 140 -12.387 0.217 6.679 1.00 61.45 O ATOM 2010 CB PHE A 140 -9.863 -0.865 5.746 1.00 21.45 C ATOM 2011 CG PHE A 140 -8.359 -0.934 5.784 1.00 41.41 C ATOM 2012 CD1 PHE A 140 -7.698 -2.138 5.634 1.00 4.41 C ATOM 2013 CD2 PHE A 140 -7.612 0.214 5.968 1.00 32.14 C ATOM 2014 CE1 PHE A 140 -6.326 -2.198 5.668 1.00 22.31 C ATOM 2015 CE2 PHE A 140 -6.236 0.160 6.002 1.00 50.22 C ATOM 2016 CZ PHE A 140 -5.592 -1.049 5.850 1.00 74.42 C ATOM 0 H PHE A 140 -10.413 -3.323 6.435 1.00 40.25 H new ATOM 0 HA PHE A 140 -10.121 -0.791 7.892 1.00 4.31 H new ATOM 0 HB2 PHE A 140 -10.221 -1.486 4.925 1.00 21.45 H new ATOM 0 HB3 PHE A 140 -10.160 0.160 5.523 1.00 21.45 H new ATOM 0 HD1 PHE A 140 -8.268 -3.044 5.488 1.00 4.41 H new ATOM 0 HD2 PHE A 140 -8.112 1.164 6.086 1.00 32.14 H new ATOM 0 HE1 PHE A 140 -5.824 -3.147 5.552 1.00 22.31 H new ATOM 0 HE2 PHE A 140 -5.663 1.064 6.148 1.00 50.22 H new ATOM 0 HZ PHE A 140 -4.513 -1.094 5.874 1.00 74.42 H new ATOM 2026 N GLU A 141 -12.923 -1.880 7.290 1.00 12.32 N ATOM 2027 CA GLU A 141 -14.377 -1.706 7.108 1.00 43.32 C ATOM 2028 C GLU A 141 -14.976 -0.484 7.799 1.00 31.21 C ATOM 2029 O GLU A 141 -15.817 0.208 7.227 1.00 3.03 O ATOM 2030 CB GLU A 141 -15.144 -2.974 7.482 1.00 0.23 C ATOM 2031 CG GLU A 141 -16.650 -2.847 7.350 1.00 64.02 C ATOM 2032 CD GLU A 141 -17.354 -4.127 7.636 1.00 64.12 C ATOM 2033 OE1 GLU A 141 -17.361 -4.566 8.802 1.00 44.14 O ATOM 2034 OE2 GLU A 141 -17.929 -4.718 6.701 1.00 65.42 O ATOM 0 H GLU A 141 -12.658 -2.785 7.678 1.00 12.32 H new ATOM 0 HA GLU A 141 -14.495 -1.515 6.041 1.00 43.32 H new ATOM 0 HB2 GLU A 141 -14.802 -3.793 6.849 1.00 0.23 H new ATOM 0 HB3 GLU A 141 -14.901 -3.243 8.510 1.00 0.23 H new ATOM 0 HG2 GLU A 141 -17.008 -2.078 8.034 1.00 64.02 H new ATOM 0 HG3 GLU A 141 -16.897 -2.517 6.341 1.00 64.02 H new ATOM 2041 N ALA A 142 -14.545 -0.205 8.972 1.00 75.34 N ATOM 2042 CA ALA A 142 -15.136 0.884 9.737 1.00 24.31 C ATOM 2043 C ALA A 142 -14.313 2.157 9.665 1.00 53.25 C ATOM 2044 O ALA A 142 -14.527 3.076 10.447 1.00 13.33 O ATOM 2045 CB ALA A 142 -15.353 0.463 11.185 1.00 63.34 C ATOM 0 H ALA A 142 -13.788 -0.700 9.443 1.00 75.34 H new ATOM 0 HA ALA A 142 -16.102 1.106 9.284 1.00 24.31 H new ATOM 0 HB1 ALA A 142 -15.795 1.289 11.742 1.00 63.34 H new ATOM 0 HB2 ALA A 142 -16.023 -0.396 11.218 1.00 63.34 H new ATOM 0 HB3 ALA A 142 -14.396 0.195 11.633 1.00 63.34 H new ATOM 2051 N THR A 143 -13.409 2.244 8.719 1.00 21.41 N ATOM 2052 CA THR A 143 -12.580 3.424 8.643 1.00 51.25 C ATOM 2053 C THR A 143 -13.038 4.370 7.538 1.00 72.21 C ATOM 2054 O THR A 143 -13.887 4.018 6.709 1.00 62.01 O ATOM 2055 CB THR A 143 -11.085 3.083 8.445 1.00 45.32 C ATOM 2056 OG1 THR A 143 -10.880 2.368 7.222 1.00 64.25 O ATOM 2057 CG2 THR A 143 -10.559 2.261 9.602 1.00 53.14 C ATOM 0 H THR A 143 -13.230 1.534 8.009 1.00 21.41 H new ATOM 0 HA THR A 143 -12.691 3.926 9.604 1.00 51.25 H new ATOM 0 HB THR A 143 -10.539 4.025 8.401 1.00 45.32 H new ATOM 0 HG1 THR A 143 -11.546 1.653 7.146 1.00 64.25 H new ATOM 0 HG21 THR A 143 -9.505 2.035 9.438 1.00 53.14 H new ATOM 0 HG22 THR A 143 -10.669 2.825 10.528 1.00 53.14 H new ATOM 0 HG23 THR A 143 -11.123 1.331 9.674 1.00 53.14 H new ATOM 2063 N ASP A 144 -12.476 5.570 7.543 1.00 14.52 N ATOM 2064 CA ASP A 144 -12.746 6.587 6.512 1.00 32.33 C ATOM 2065 C ASP A 144 -11.684 6.494 5.444 1.00 52.04 C ATOM 2066 O ASP A 144 -11.572 7.362 4.575 1.00 32.43 O ATOM 2067 CB ASP A 144 -12.703 8.003 7.112 1.00 1.43 C ATOM 2068 CG ASP A 144 -13.768 8.265 8.134 1.00 2.40 C ATOM 2069 OD1 ASP A 144 -13.551 7.974 9.325 1.00 23.22 O ATOM 2070 OD2 ASP A 144 -14.843 8.778 7.769 1.00 61.32 O ATOM 0 H ASP A 144 -11.817 5.876 8.259 1.00 14.52 H new ATOM 0 HA ASP A 144 -13.738 6.404 6.098 1.00 32.33 H new ATOM 0 HB2 ASP A 144 -11.727 8.163 7.570 1.00 1.43 H new ATOM 0 HB3 ASP A 144 -12.800 8.731 6.306 1.00 1.43 H new ATOM 2075 N ILE A 145 -10.913 5.444 5.516 1.00 22.44 N ATOM 2076 CA ILE A 145 -9.821 5.233 4.620 1.00 31.15 C ATOM 2077 C ILE A 145 -10.339 4.686 3.309 1.00 13.13 C ATOM 2078 O ILE A 145 -11.060 3.675 3.272 1.00 22.22 O ATOM 2079 CB ILE A 145 -8.786 4.251 5.231 1.00 51.21 C ATOM 2080 CG1 ILE A 145 -8.288 4.789 6.580 1.00 23.02 C ATOM 2081 CG2 ILE A 145 -7.606 4.046 4.272 1.00 54.04 C ATOM 2082 CD1 ILE A 145 -7.364 3.845 7.320 1.00 24.51 C ATOM 0 H ILE A 145 -11.031 4.705 6.209 1.00 22.44 H new ATOM 0 HA ILE A 145 -9.325 6.188 4.446 1.00 31.15 H new ATOM 0 HB ILE A 145 -9.270 3.287 5.390 1.00 51.21 H new ATOM 0 HG12 ILE A 145 -7.768 5.732 6.413 1.00 23.02 H new ATOM 0 HG13 ILE A 145 -9.149 5.007 7.212 1.00 23.02 H new ATOM 0 HG21 ILE A 145 -6.891 3.355 4.718 1.00 54.04 H new ATOM 0 HG22 ILE A 145 -7.970 3.635 3.330 1.00 54.04 H new ATOM 0 HG23 ILE A 145 -7.118 5.003 4.086 1.00 54.04 H new ATOM 0 HD11 ILE A 145 -7.058 4.300 8.262 1.00 24.51 H new ATOM 0 HD12 ILE A 145 -7.885 2.909 7.521 1.00 24.51 H new ATOM 0 HD13 ILE A 145 -6.483 3.646 6.710 1.00 24.51 H new ATOM 2089 N LYS A 146 -10.025 5.374 2.259 1.00 41.13 N ATOM 2090 CA LYS A 146 -10.364 4.940 0.951 1.00 24.04 C ATOM 2091 C LYS A 146 -9.181 4.274 0.348 1.00 65.03 C ATOM 2092 O LYS A 146 -8.069 4.811 0.381 1.00 70.03 O ATOM 2093 CB LYS A 146 -10.778 6.097 0.082 1.00 71.21 C ATOM 2094 CG LYS A 146 -12.014 6.822 0.554 1.00 12.11 C ATOM 2095 CD LYS A 146 -12.359 7.942 -0.395 1.00 54.23 C ATOM 2096 CE LYS A 146 -11.285 9.032 -0.412 1.00 55.25 C ATOM 2097 NZ LYS A 146 -11.602 10.098 -1.377 1.00 64.43 N ATOM 0 H LYS A 146 -9.521 6.260 2.290 1.00 41.13 H new ATOM 0 HA LYS A 146 -11.204 4.248 1.019 1.00 24.04 H new ATOM 0 HB2 LYS A 146 -9.953 6.808 0.028 1.00 71.21 H new ATOM 0 HB3 LYS A 146 -10.951 5.731 -0.930 1.00 71.21 H new ATOM 0 HG2 LYS A 146 -12.849 6.125 0.623 1.00 12.11 H new ATOM 0 HG3 LYS A 146 -11.849 7.222 1.555 1.00 12.11 H new ATOM 0 HD2 LYS A 146 -12.483 7.540 -1.400 1.00 54.23 H new ATOM 0 HD3 LYS A 146 -13.315 8.380 -0.107 1.00 54.23 H new ATOM 0 HE2 LYS A 146 -11.188 9.462 0.585 1.00 55.25 H new ATOM 0 HE3 LYS A 146 -10.321 8.589 -0.664 1.00 55.25 H new ATOM 0 HZ1 LYS A 146 -10.851 10.817 -1.359 1.00 64.43 H new ATOM 0 HZ2 LYS A 146 -11.670 9.693 -2.332 1.00 64.43 H new ATOM 0 HZ3 LYS A 146 -12.509 10.538 -1.122 1.00 64.43 H new ATOM 2111 N ILE A 147 -9.405 3.131 -0.187 1.00 73.52 N ATOM 2112 CA ILE A 147 -8.368 2.357 -0.791 1.00 64.04 C ATOM 2113 C ILE A 147 -8.624 2.188 -2.241 1.00 23.52 C ATOM 2114 O ILE A 147 -9.566 1.537 -2.649 1.00 51.14 O ATOM 2115 CB ILE A 147 -8.161 1.002 -0.084 1.00 15.03 C ATOM 2116 CG1 ILE A 147 -7.540 1.266 1.278 1.00 42.10 C ATOM 2117 CG2 ILE A 147 -7.297 0.054 -0.919 1.00 62.23 C ATOM 2118 CD1 ILE A 147 -7.299 0.030 2.116 1.00 34.13 C ATOM 0 H ILE A 147 -10.326 2.694 -0.222 1.00 73.52 H new ATOM 0 HA ILE A 147 -7.434 2.907 -0.673 1.00 64.04 H new ATOM 0 HB ILE A 147 -9.123 0.505 0.040 1.00 15.03 H new ATOM 0 HG12 ILE A 147 -6.590 1.782 1.135 1.00 42.10 H new ATOM 0 HG13 ILE A 147 -8.190 1.943 1.833 1.00 42.10 H new ATOM 0 HG21 ILE A 147 -7.174 -0.890 -0.387 1.00 62.23 H new ATOM 0 HG22 ILE A 147 -7.781 -0.130 -1.878 1.00 62.23 H new ATOM 0 HG23 ILE A 147 -6.319 0.506 -1.087 1.00 62.23 H new ATOM 0 HD11 ILE A 147 -6.854 0.317 3.069 1.00 34.13 H new ATOM 0 HD12 ILE A 147 -8.247 -0.478 2.296 1.00 34.13 H new ATOM 0 HD13 ILE A 147 -6.622 -0.642 1.588 1.00 34.13 H new ATOM 2125 N THR A 148 -7.802 2.774 -3.001 1.00 61.33 N ATOM 2126 CA THR A 148 -7.949 2.748 -4.414 1.00 33.14 C ATOM 2127 C THR A 148 -6.886 1.852 -5.031 1.00 20.00 C ATOM 2128 O THR A 148 -5.700 2.026 -4.781 1.00 53.15 O ATOM 2129 CB THR A 148 -7.838 4.177 -4.979 1.00 70.33 C ATOM 2130 OG1 THR A 148 -8.764 5.027 -4.284 1.00 52.11 O ATOM 2131 CG2 THR A 148 -8.185 4.200 -6.452 1.00 51.52 C ATOM 0 H THR A 148 -6.991 3.297 -2.670 1.00 61.33 H new ATOM 0 HA THR A 148 -8.931 2.347 -4.664 1.00 33.14 H new ATOM 0 HB THR A 148 -6.813 4.524 -4.846 1.00 70.33 H new ATOM 0 HG1 THR A 148 -8.699 5.939 -4.636 1.00 52.11 H new ATOM 0 HG21 THR A 148 -8.100 5.219 -6.830 1.00 51.52 H new ATOM 0 HG22 THR A 148 -7.499 3.552 -6.998 1.00 51.52 H new ATOM 0 HG23 THR A 148 -9.206 3.846 -6.591 1.00 51.52 H new ATOM 2137 N VAL A 149 -7.305 0.878 -5.808 1.00 23.32 N ATOM 2138 CA VAL A 149 -6.365 0.018 -6.457 1.00 44.12 C ATOM 2139 C VAL A 149 -6.234 0.414 -7.903 1.00 54.12 C ATOM 2140 O VAL A 149 -7.231 0.544 -8.625 1.00 75.24 O ATOM 2141 CB VAL A 149 -6.698 -1.515 -6.342 1.00 62.13 C ATOM 2142 CG1 VAL A 149 -6.849 -1.951 -4.908 1.00 32.43 C ATOM 2143 CG2 VAL A 149 -7.906 -1.904 -7.146 1.00 35.54 C ATOM 0 H VAL A 149 -8.285 0.670 -5.999 1.00 23.32 H new ATOM 0 HA VAL A 149 -5.419 0.151 -5.932 1.00 44.12 H new ATOM 0 HB VAL A 149 -5.843 -2.041 -6.766 1.00 62.13 H new ATOM 0 HG11 VAL A 149 -7.079 -3.016 -4.874 1.00 32.43 H new ATOM 0 HG12 VAL A 149 -5.920 -1.763 -4.371 1.00 32.43 H new ATOM 0 HG13 VAL A 149 -7.658 -1.390 -4.441 1.00 32.43 H new ATOM 0 HG21 VAL A 149 -8.091 -2.972 -7.031 1.00 35.54 H new ATOM 0 HG22 VAL A 149 -8.773 -1.345 -6.793 1.00 35.54 H new ATOM 0 HG23 VAL A 149 -7.732 -1.677 -8.198 1.00 35.54 H new ATOM 2149 N TYR A 150 -5.038 0.653 -8.310 1.00 71.02 N ATOM 2150 CA TYR A 150 -4.769 0.963 -9.678 1.00 45.41 C ATOM 2151 C TYR A 150 -4.428 -0.289 -10.397 1.00 30.41 C ATOM 2152 O TYR A 150 -3.515 -1.031 -10.008 1.00 14.11 O ATOM 2153 CB TYR A 150 -3.711 2.040 -9.837 1.00 3.25 C ATOM 2154 CG TYR A 150 -4.202 3.426 -9.466 1.00 22.23 C ATOM 2155 CD1 TYR A 150 -4.486 3.763 -8.156 1.00 31.43 C ATOM 2156 CD2 TYR A 150 -4.372 4.399 -10.437 1.00 20.23 C ATOM 2157 CE1 TYR A 150 -4.922 5.023 -7.825 1.00 43.05 C ATOM 2158 CE2 TYR A 150 -4.810 5.664 -10.107 1.00 72.14 C ATOM 2159 CZ TYR A 150 -5.084 5.967 -8.797 1.00 3.51 C ATOM 2160 OH TYR A 150 -5.505 7.232 -8.453 1.00 65.45 O ATOM 0 H TYR A 150 -4.215 0.640 -7.708 1.00 71.02 H new ATOM 0 HA TYR A 150 -5.666 1.390 -10.126 1.00 45.41 H new ATOM 0 HB2 TYR A 150 -2.851 1.789 -9.216 1.00 3.25 H new ATOM 0 HB3 TYR A 150 -3.365 2.050 -10.871 1.00 3.25 H new ATOM 0 HD1 TYR A 150 -4.363 3.023 -7.379 1.00 31.43 H new ATOM 0 HD2 TYR A 150 -4.158 4.163 -11.469 1.00 20.23 H new ATOM 0 HE1 TYR A 150 -5.137 5.267 -6.795 1.00 43.05 H new ATOM 0 HE2 TYR A 150 -4.937 6.412 -10.875 1.00 72.14 H new ATOM 0 HH TYR A 150 -5.570 7.786 -9.259 1.00 65.45 H new ATOM 2170 N THR A 151 -5.184 -0.553 -11.392 1.00 54.04 N ATOM 2171 CA THR A 151 -5.096 -1.760 -12.100 1.00 25.43 C ATOM 2172 C THR A 151 -4.744 -1.507 -13.563 1.00 74.44 C ATOM 2173 O THR A 151 -5.414 -0.737 -14.242 1.00 33.00 O ATOM 2174 CB THR A 151 -6.460 -2.456 -11.990 1.00 23.21 C ATOM 2175 OG1 THR A 151 -6.815 -2.543 -10.607 1.00 42.23 O ATOM 2176 CG2 THR A 151 -6.413 -3.839 -12.556 1.00 71.53 C ATOM 0 H THR A 151 -5.899 0.084 -11.743 1.00 54.04 H new ATOM 0 HA THR A 151 -4.308 -2.387 -11.682 1.00 25.43 H new ATOM 0 HB THR A 151 -7.192 -1.876 -12.553 1.00 23.21 H new ATOM 0 HG1 THR A 151 -7.698 -2.960 -10.521 1.00 42.23 H new ATOM 0 HG21 THR A 151 -7.394 -4.304 -12.463 1.00 71.53 H new ATOM 0 HG22 THR A 151 -6.132 -3.792 -13.608 1.00 71.53 H new ATOM 0 HG23 THR A 151 -5.678 -4.431 -12.010 1.00 71.53 H new ATOM 2182 N LEU A 152 -3.677 -2.121 -14.017 1.00 41.32 N ATOM 2183 CA LEU A 152 -3.292 -2.042 -15.398 1.00 64.23 C ATOM 2184 C LEU A 152 -3.955 -3.181 -16.158 1.00 73.30 C ATOM 2185 O LEU A 152 -3.428 -4.315 -16.130 1.00 38.92 O ATOM 2186 CB LEU A 152 -1.759 -2.097 -15.566 1.00 61.22 C ATOM 2187 CG LEU A 152 -0.948 -0.968 -14.954 1.00 64.45 C ATOM 2188 CD1 LEU A 152 0.522 -1.139 -15.274 1.00 60.13 C ATOM 2189 CD2 LEU A 152 -1.435 0.354 -15.452 1.00 4.21 C ATOM 2190 OXT LEU A 152 -5.024 -2.963 -16.768 1.00 38.92 O ATOM 0 H LEU A 152 -3.056 -2.687 -13.438 1.00 41.32 H new ATOM 0 HA LEU A 152 -3.622 -1.085 -15.801 1.00 64.23 H new ATOM 0 HB2 LEU A 152 -1.407 -3.035 -15.138 1.00 61.22 H new ATOM 0 HB3 LEU A 152 -1.538 -2.131 -16.633 1.00 61.22 H new ATOM 0 HG LEU A 152 -1.075 -1.000 -13.872 1.00 64.45 H new ATOM 0 HD11 LEU A 152 1.089 -0.322 -14.828 1.00 60.13 H new ATOM 0 HD12 LEU A 152 0.874 -2.088 -14.870 1.00 60.13 H new ATOM 0 HD13 LEU A 152 0.662 -1.131 -16.355 1.00 60.13 H new ATOM 0 HD21 LEU A 152 -0.843 1.152 -15.004 1.00 4.21 H new ATOM 0 HD22 LEU A 152 -1.335 0.393 -16.537 1.00 4.21 H new ATOM 0 HD23 LEU A 152 -2.483 0.482 -15.179 1.00 4.21 H new TER 2198 LEU A 152 HETATM 2199 N1 APR A 186 0.703 1.035 -11.684 1.00 14.34 N HETATM 2200 C2 APR A 186 -0.425 0.329 -11.531 1.00 31.01 C HETATM 2201 N3 APR A 186 -0.425 -0.975 -11.682 1.00 13.52 N HETATM 2202 C4 APR A 186 0.696 -1.625 -11.991 1.00 23.11 C HETATM 2203 C5 APR A 186 1.865 -0.944 -12.152 1.00 25.23 C HETATM 2204 C6 APR A 186 1.857 0.420 -11.994 1.00 43.25 C HETATM 2205 N6 APR A 186 2.970 1.122 -12.148 1.00 24.11 N HETATM 2206 N7 APR A 186 2.814 -1.824 -12.447 1.00 12.40 N HETATM 2207 C8 APR A 186 2.242 -3.035 -12.472 1.00 72.52 C HETATM 2208 N9 APR A 186 0.927 -2.886 -12.190 1.00 62.24 N HETATM 2209 C1' APR A 186 -0.143 -3.954 -12.131 1.00 43.24 C HETATM 2210 C2' APR A 186 0.425 -5.325 -12.655 1.00 2.52 C HETATM 2211 O2' APR A 186 -0.198 -5.688 -13.842 1.00 4.25 O HETATM 2212 C3' APR A 186 0.048 -6.304 -11.515 1.00 44.23 C HETATM 2213 O3' APR A 186 -1.170 -6.925 -11.774 1.00 13.14 O HETATM 2214 O4' APR A 186 -0.641 -4.136 -10.798 1.00 34.44 O HETATM 2215 C4' APR A 186 -0.072 -5.343 -10.294 1.00 14.02 C HETATM 2216 C5' APR A 186 1.328 -5.128 -9.666 1.00 5.31 C HETATM 2217 O5' APR A 186 2.080 -6.351 -9.688 1.00 62.50 O HETATM 2218 PA APR A 186 2.887 -6.840 -8.380 1.00 14.32 P HETATM 2219 O1A APR A 186 4.322 -7.168 -8.636 1.00 24.40 O HETATM 2220 O2A APR A 186 2.090 -8.119 -7.779 1.00 53.43 O HETATM 2221 O3A APR A 186 2.743 -5.679 -7.287 1.00 45.43 O HETATM 2222 PB APR A 186 3.440 -5.839 -5.856 1.00 74.54 P HETATM 2223 O1B APR A 186 2.916 -4.899 -4.817 1.00 2.33 O HETATM 2224 O2B APR A 186 5.027 -5.631 -6.072 1.00 1.35 O HETATM 2225 O5D APR A 186 3.228 -7.371 -5.431 1.00 24.13 O HETATM 2226 C5D APR A 186 4.315 -8.133 -4.927 1.00 70.02 C HETATM 2227 O4D APR A 186 3.784 -6.767 -2.976 1.00 25.52 O HETATM 2228 O1D APR A 186 1.897 -8.158 -3.459 1.00 44.53 O HETATM 2229 C1D APR A 186 2.818 -7.671 -2.442 1.00 1.41 C HETATM 2230 O2D APR A 186 3.801 -8.737 -0.467 1.00 0.43 O HETATM 2231 C2D APR A 186 3.638 -8.881 -1.830 1.00 44.13 C HETATM 2232 O3D APR A 186 6.061 -8.514 -1.678 1.00 5.24 O HETATM 2233 C3D APR A 186 4.997 -8.764 -2.543 1.00 11.04 C HETATM 2234 C4D APR A 186 4.771 -7.579 -3.554 1.00 40.14 C HETATM 0 HR'4 APR A 186 5.684 -7.011 -3.734 1.00 40.14 H new HETATM 0 HR'3 APR A 186 5.284 -9.699 -3.025 1.00 11.04 H new HETATM 0 HR'2 APR A 186 3.145 -9.843 -1.971 1.00 44.13 H new HETATM 0 HR'1 APR A 186 2.206 -7.165 -1.695 1.00 1.41 H new HETATM 0 HOR3 APR A 186 6.893 -8.452 -2.192 1.00 5.24 H new HETATM 0 HOR2 APR A 186 4.747 -8.582 -0.265 1.00 0.43 H new HETATM 0 HOR1 APR A 186 2.010 -7.635 -4.280 1.00 44.53 H new HETATM 0 HO'3 APR A 186 -1.386 -7.539 -11.042 1.00 13.14 H new HETATM 0 HO'2 APR A 186 -0.925 -6.317 -13.651 1.00 4.25 H new HETATM 0 H5R2 APR A 186 4.019 -9.177 -4.825 1.00 70.02 H new HETATM 0 H5R1 APR A 186 5.146 -8.104 -5.632 1.00 70.02 H new HETATM 0 H5'2 APR A 186 1.865 -4.354 -10.215 1.00 5.31 H new HETATM 0 H5'1 APR A 186 1.223 -4.777 -8.640 1.00 5.31 H new HETATM 0 H8 APR A 186 2.748 -3.977 -12.683 1.00 72.52 H new HETATM 0 H62 APR A 186 3.843 0.649 -12.383 1.00 24.11 H new HETATM 0 H61 APR A 186 2.954 2.135 -12.031 1.00 24.11 H new HETATM 0 H2 APR A 186 -1.353 0.843 -11.278 1.00 31.01 H new HETATM 0 H'4 APR A 186 -0.703 -5.743 -9.500 1.00 14.02 H new HETATM 0 H'3 APR A 186 0.764 -7.114 -11.375 1.00 44.23 H new HETATM 0 H'2 APR A 186 1.493 -5.303 -12.872 1.00 2.52 H new HETATM 0 H'1 APR A 186 -0.964 -3.621 -12.766 1.00 43.24 H new