USER MOD reduce.3.24.130724 H: found=0, std=0, add=922, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 928 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 134 SER OG : rot -29:sc= 0.243 USER MOD Set 1.2: A 135 LYS NZ :NH3+ -164:sc= 1.26 (180deg=0.593) USER MOD Set 2.1: A 68 THR OG1 : rot 180:sc= 0.025 USER MOD Set 2.2: A 71 ASN : amide:sc= -0.112 X(o=-0.087,f=0.057) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -128:sc= 0.544 (180deg=-0.0227) USER MOD Single : A 50 LYS NZ :NH3+ -163:sc= -1.4! (180deg=-1.91!) USER MOD Single : A 52 THR OG1 : rot 130:sc= 1.22 USER MOD Single : A 53 TYR OH : rot 180:sc= -1.17 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 16:sc= 0.632 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 66 LYS NZ :NH3+ 170:sc= 1.8 (180deg=1.41) USER MOD Single : A 73 LYS NZ :NH3+ -176:sc= 1.23 (180deg=1.18) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0.983 (180deg=0.983) USER MOD Single : A 76 MET CE :methyl -112:sc= -0.227 (180deg=-2.26) USER MOD Single : A 78 LYS NZ :NH3+ 170:sc= -0.0112 (180deg=-0.116) USER MOD Single : A 79 SER OG : rot 67:sc= 0.708 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= 0.203 K(o=0.2,f=-2.5) USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.0515 USER MOD Single : A 88 LYS NZ :NH3+ -167:sc= -0.0257 (180deg=-0.218) USER MOD Single : A 91 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0188) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 ASN : amide:sc= -0.832 X(o=-0.83,f=-0.51) USER MOD Single : A 111 HIS : no HD1:sc= -0.6 X(o=-0.6,f=-0.71) USER MOD Single : A 114 LYS NZ :NH3+ -160:sc= 1.22 (180deg=0.112!) USER MOD Single : A 116 LYS NZ :NH3+ -171:sc= 0.466 (180deg=0.343) USER MOD Single : A 120 HIS :FLIP no HD1:sc= -0.052 F(o=-2.4!,f=-0.052) USER MOD Single : A 129 HIS : no HD1:sc= -0.0866 X(o=-0.087,f=-0.036) USER MOD Single : A 138 HIS : no HE2:sc= 1.09 K(o=1.1,f=-4.8!) USER MOD Single : B 144 ASN : amide:sc= -0.108 X(o=-0.11,f=0) USER MOD Single : B 145 TYR OH : rot 180:sc= 0 USER MOD Single : B 147 SER OG : rot -15:sc= 0.786 USER MOD Single : B 148 THR OG1 : rot -34:sc= 0.465 USER MOD Single : B 152 THR OG1 : rot -84:sc= 0.45 USER MOD Single : B 154 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0386) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 35 -22.550 2.319 1.460 1.00 10.47 N ATOM 2 CA GLY A 35 -23.931 2.756 1.145 1.00 10.20 C ATOM 3 C GLY A 35 -24.904 1.594 1.113 1.00 9.66 C ATOM 4 O GLY A 35 -24.490 0.451 0.938 1.00 9.43 O ATOM 0 HA2 GLY A 35 -24.259 3.483 1.888 1.00 10.20 H new ATOM 0 HA3 GLY A 35 -23.939 3.262 0.179 1.00 10.20 H new ATOM 10 N PRO A 36 -26.211 1.862 1.272 1.00 9.71 N ATOM 11 CA PRO A 36 -27.243 0.816 1.295 1.00 9.54 C ATOM 12 C PRO A 36 -27.525 0.224 -0.087 1.00 8.72 C ATOM 13 O PRO A 36 -28.110 -0.853 -0.203 1.00 8.72 O ATOM 14 CB PRO A 36 -28.479 1.551 1.821 1.00 10.19 C ATOM 15 CG PRO A 36 -28.273 2.972 1.427 1.00 10.45 C ATOM 16 CD PRO A 36 -26.786 3.209 1.465 1.00 10.21 C ATOM 0 HA PRO A 36 -26.937 -0.035 1.904 1.00 9.54 H new ATOM 0 HB2 PRO A 36 -29.394 1.148 1.386 1.00 10.19 H new ATOM 0 HB3 PRO A 36 -28.569 1.449 2.903 1.00 10.19 H new ATOM 0 HG2 PRO A 36 -28.672 3.161 0.430 1.00 10.45 H new ATOM 0 HG3 PRO A 36 -28.792 3.644 2.110 1.00 10.45 H new ATOM 0 HD2 PRO A 36 -26.470 3.895 0.680 1.00 10.21 H new ATOM 0 HD3 PRO A 36 -26.474 3.645 2.414 1.00 10.21 H new ATOM 24 N LEU A 37 -27.110 0.930 -1.130 1.00 8.27 N ATOM 25 CA LEU A 37 -27.312 0.468 -2.494 1.00 7.70 C ATOM 26 C LEU A 37 -25.972 0.394 -3.220 1.00 6.80 C ATOM 27 O LEU A 37 -25.268 1.400 -3.346 1.00 6.86 O ATOM 28 CB LEU A 37 -28.271 1.403 -3.240 1.00 8.14 C ATOM 29 CG LEU A 37 -28.657 0.950 -4.652 1.00 8.66 C ATOM 30 CD1 LEU A 37 -29.486 -0.329 -4.599 1.00 9.09 C ATOM 31 CD2 LEU A 37 -29.411 2.054 -5.380 1.00 9.01 C ATOM 0 H LEU A 37 -26.630 1.827 -1.056 1.00 8.27 H new ATOM 0 HA LEU A 37 -27.755 -0.527 -2.466 1.00 7.70 H new ATOM 0 HB2 LEU A 37 -29.181 1.511 -2.649 1.00 8.14 H new ATOM 0 HB3 LEU A 37 -27.814 2.390 -3.305 1.00 8.14 H new ATOM 0 HG LEU A 37 -27.743 0.738 -5.207 1.00 8.66 H new ATOM 0 HD11 LEU A 37 -29.750 -0.634 -5.612 1.00 9.09 H new ATOM 0 HD12 LEU A 37 -28.906 -1.119 -4.122 1.00 9.09 H new ATOM 0 HD13 LEU A 37 -30.395 -0.150 -4.026 1.00 9.09 H new ATOM 0 HD21 LEU A 37 -29.677 1.714 -6.381 1.00 9.01 H new ATOM 0 HD22 LEU A 37 -30.318 2.301 -4.828 1.00 9.01 H new ATOM 0 HD23 LEU A 37 -28.779 2.939 -5.453 1.00 9.01 H new ATOM 43 N GLY A 38 -25.617 -0.796 -3.688 1.00 6.24 N ATOM 44 CA GLY A 38 -24.334 -0.980 -4.335 1.00 5.56 C ATOM 45 C GLY A 38 -24.456 -1.196 -5.828 1.00 5.01 C ATOM 46 O GLY A 38 -23.625 -0.700 -6.596 1.00 5.18 O ATOM 0 H GLY A 38 -26.194 -1.635 -3.631 1.00 6.24 H new ATOM 0 HA2 GLY A 38 -23.710 -0.106 -4.149 1.00 5.56 H new ATOM 0 HA3 GLY A 38 -23.827 -1.835 -3.889 1.00 5.56 H new ATOM 50 N SER A 39 -25.491 -1.938 -6.228 1.00 4.73 N ATOM 51 CA SER A 39 -25.741 -2.280 -7.628 1.00 4.60 C ATOM 52 C SER A 39 -24.712 -3.300 -8.123 1.00 4.02 C ATOM 53 O SER A 39 -25.038 -4.468 -8.336 1.00 4.46 O ATOM 54 CB SER A 39 -25.744 -1.023 -8.512 1.00 5.37 C ATOM 55 OG SER A 39 -26.062 -1.337 -9.858 1.00 5.98 O ATOM 0 H SER A 39 -26.183 -2.321 -5.584 1.00 4.73 H new ATOM 0 HA SER A 39 -26.730 -2.733 -7.697 1.00 4.60 H new ATOM 0 HB2 SER A 39 -26.467 -0.305 -8.124 1.00 5.37 H new ATOM 0 HB3 SER A 39 -24.766 -0.545 -8.470 1.00 5.37 H new ATOM 0 HG SER A 39 -26.058 -0.517 -10.395 1.00 5.98 H new ATOM 61 N ASP A 40 -23.470 -2.857 -8.269 1.00 3.29 N ATOM 62 CA ASP A 40 -22.380 -3.717 -8.717 1.00 2.92 C ATOM 63 C ASP A 40 -21.434 -4.011 -7.556 1.00 2.66 C ATOM 64 O ASP A 40 -20.899 -3.089 -6.935 1.00 2.56 O ATOM 65 CB ASP A 40 -21.618 -3.042 -9.868 1.00 2.80 C ATOM 66 CG ASP A 40 -20.389 -3.816 -10.310 1.00 3.36 C ATOM 67 OD1 ASP A 40 -20.550 -4.915 -10.883 1.00 3.92 O ATOM 68 OD2 ASP A 40 -19.258 -3.352 -10.047 1.00 3.69 O ATOM 0 H ASP A 40 -23.189 -1.895 -8.081 1.00 3.29 H new ATOM 0 HA ASP A 40 -22.795 -4.659 -9.076 1.00 2.92 H new ATOM 0 HB2 ASP A 40 -22.289 -2.923 -10.719 1.00 2.80 H new ATOM 0 HB3 ASP A 40 -21.317 -2.042 -9.558 1.00 2.80 H new ATOM 73 N ASP A 41 -21.258 -5.288 -7.235 1.00 2.83 N ATOM 74 CA ASP A 41 -20.335 -5.673 -6.172 1.00 2.71 C ATOM 75 C ASP A 41 -18.909 -5.680 -6.700 1.00 2.19 C ATOM 76 O ASP A 41 -18.644 -6.129 -7.815 1.00 2.35 O ATOM 77 CB ASP A 41 -20.697 -7.031 -5.554 1.00 3.35 C ATOM 78 CG ASP A 41 -20.563 -8.194 -6.515 1.00 4.28 C ATOM 79 OD1 ASP A 41 -21.531 -8.470 -7.255 1.00 4.57 O ATOM 80 OD2 ASP A 41 -19.503 -8.854 -6.519 1.00 4.94 O ATOM 0 H ASP A 41 -21.736 -6.067 -7.689 1.00 2.83 H new ATOM 0 HA ASP A 41 -20.417 -4.933 -5.376 1.00 2.71 H new ATOM 0 HB2 ASP A 41 -20.056 -7.209 -4.691 1.00 3.35 H new ATOM 0 HB3 ASP A 41 -21.723 -6.991 -5.187 1.00 3.35 H new ATOM 85 N VAL A 42 -17.998 -5.166 -5.895 1.00 1.81 N ATOM 86 CA VAL A 42 -16.635 -4.943 -6.339 1.00 1.43 C ATOM 87 C VAL A 42 -15.686 -6.027 -5.836 1.00 1.36 C ATOM 88 O VAL A 42 -15.769 -6.468 -4.687 1.00 1.49 O ATOM 89 CB VAL A 42 -16.132 -3.555 -5.884 1.00 1.33 C ATOM 90 CG1 VAL A 42 -16.211 -3.411 -4.373 1.00 1.99 C ATOM 91 CG2 VAL A 42 -14.714 -3.305 -6.373 1.00 1.85 C ATOM 0 H VAL A 42 -18.178 -4.895 -4.928 1.00 1.81 H new ATOM 0 HA VAL A 42 -16.644 -4.983 -7.428 1.00 1.43 H new ATOM 0 HB VAL A 42 -16.784 -2.803 -6.328 1.00 1.33 H new ATOM 0 HG11 VAL A 42 -15.850 -2.424 -4.082 1.00 1.99 H new ATOM 0 HG12 VAL A 42 -17.245 -3.529 -4.050 1.00 1.99 H new ATOM 0 HG13 VAL A 42 -15.594 -4.176 -3.902 1.00 1.99 H new ATOM 0 HG21 VAL A 42 -14.382 -2.322 -6.040 1.00 1.85 H new ATOM 0 HG22 VAL A 42 -14.050 -4.068 -5.968 1.00 1.85 H new ATOM 0 HG23 VAL A 42 -14.692 -3.346 -7.462 1.00 1.85 H new ATOM 101 N GLU A 43 -14.802 -6.468 -6.717 1.00 1.39 N ATOM 102 CA GLU A 43 -13.730 -7.367 -6.335 1.00 1.41 C ATOM 103 C GLU A 43 -12.495 -6.561 -5.967 1.00 1.08 C ATOM 104 O GLU A 43 -11.960 -5.823 -6.797 1.00 1.03 O ATOM 105 CB GLU A 43 -13.368 -8.320 -7.476 1.00 1.71 C ATOM 106 CG GLU A 43 -14.499 -9.220 -7.938 1.00 1.90 C ATOM 107 CD GLU A 43 -14.061 -10.143 -9.059 1.00 1.92 C ATOM 108 OE1 GLU A 43 -13.977 -9.685 -10.218 1.00 1.86 O ATOM 109 OE2 GLU A 43 -13.789 -11.332 -8.789 1.00 2.40 O ATOM 0 H GLU A 43 -14.808 -6.215 -7.705 1.00 1.39 H new ATOM 0 HA GLU A 43 -14.074 -7.953 -5.483 1.00 1.41 H new ATOM 0 HB2 GLU A 43 -13.021 -7.732 -8.325 1.00 1.71 H new ATOM 0 HB3 GLU A 43 -12.533 -8.944 -7.158 1.00 1.71 H new ATOM 0 HG2 GLU A 43 -14.858 -9.814 -7.097 1.00 1.90 H new ATOM 0 HG3 GLU A 43 -15.335 -8.608 -8.276 1.00 1.90 H new ATOM 116 N TRP A 44 -12.055 -6.672 -4.725 1.00 0.96 N ATOM 117 CA TRP A 44 -10.782 -6.088 -4.345 1.00 0.76 C ATOM 118 C TRP A 44 -9.682 -6.937 -4.971 1.00 0.61 C ATOM 119 O TRP A 44 -9.370 -8.021 -4.480 1.00 0.62 O ATOM 120 CB TRP A 44 -10.630 -6.015 -2.819 1.00 0.89 C ATOM 121 CG TRP A 44 -9.572 -5.046 -2.369 1.00 0.64 C ATOM 122 CD1 TRP A 44 -9.381 -3.774 -2.831 1.00 0.60 C ATOM 123 CD2 TRP A 44 -8.581 -5.259 -1.353 1.00 0.59 C ATOM 124 NE1 TRP A 44 -8.325 -3.189 -2.173 1.00 0.60 N ATOM 125 CE2 TRP A 44 -7.820 -4.078 -1.260 1.00 0.53 C ATOM 126 CE3 TRP A 44 -8.258 -6.333 -0.512 1.00 0.76 C ATOM 127 CZ2 TRP A 44 -6.762 -3.942 -0.365 1.00 0.63 C ATOM 128 CZ3 TRP A 44 -7.207 -6.194 0.376 1.00 0.77 C ATOM 129 CH2 TRP A 44 -6.470 -5.004 0.444 1.00 0.69 C ATOM 0 H TRP A 44 -12.551 -7.153 -3.975 1.00 0.96 H new ATOM 0 HA TRP A 44 -10.718 -5.062 -4.707 1.00 0.76 H new ATOM 0 HB2 TRP A 44 -11.585 -5.728 -2.380 1.00 0.89 H new ATOM 0 HB3 TRP A 44 -10.389 -7.007 -2.438 1.00 0.89 H new ATOM 0 HD1 TRP A 44 -9.972 -3.299 -3.600 1.00 0.60 H new ATOM 0 HE1 TRP A 44 -7.974 -2.246 -2.338 1.00 0.60 H new ATOM 0 HE3 TRP A 44 -8.821 -7.254 -0.557 1.00 0.76 H new ATOM 0 HZ2 TRP A 44 -6.191 -3.027 -0.312 1.00 0.63 H new ATOM 0 HZ3 TRP A 44 -6.950 -7.016 1.028 1.00 0.77 H new ATOM 0 HH2 TRP A 44 -5.656 -4.925 1.149 1.00 0.69 H new ATOM 140 N VAL A 45 -9.128 -6.447 -6.078 1.00 0.60 N ATOM 141 CA VAL A 45 -8.230 -7.238 -6.928 1.00 0.57 C ATOM 142 C VAL A 45 -7.009 -7.766 -6.177 1.00 0.54 C ATOM 143 O VAL A 45 -6.370 -8.727 -6.610 1.00 0.67 O ATOM 144 CB VAL A 45 -7.758 -6.430 -8.158 1.00 0.67 C ATOM 145 CG1 VAL A 45 -8.951 -5.892 -8.931 1.00 1.01 C ATOM 146 CG2 VAL A 45 -6.832 -5.295 -7.753 1.00 1.33 C ATOM 0 H VAL A 45 -9.285 -5.496 -6.413 1.00 0.60 H new ATOM 0 HA VAL A 45 -8.819 -8.094 -7.257 1.00 0.57 H new ATOM 0 HB VAL A 45 -7.197 -7.105 -8.804 1.00 0.67 H new ATOM 0 HG11 VAL A 45 -8.600 -5.326 -9.794 1.00 1.01 H new ATOM 0 HG12 VAL A 45 -9.570 -6.723 -9.270 1.00 1.01 H new ATOM 0 HG13 VAL A 45 -9.540 -5.241 -8.285 1.00 1.01 H new ATOM 0 HG21 VAL A 45 -6.518 -4.747 -8.641 1.00 1.33 H new ATOM 0 HG22 VAL A 45 -7.357 -4.620 -7.077 1.00 1.33 H new ATOM 0 HG23 VAL A 45 -5.955 -5.703 -7.250 1.00 1.33 H new ATOM 156 N VAL A 46 -6.693 -7.146 -5.053 1.00 0.43 N ATOM 157 CA VAL A 46 -5.549 -7.551 -4.257 1.00 0.40 C ATOM 158 C VAL A 46 -5.964 -8.561 -3.189 1.00 0.46 C ATOM 159 O VAL A 46 -5.170 -9.397 -2.773 1.00 0.53 O ATOM 160 CB VAL A 46 -4.884 -6.330 -3.594 1.00 0.37 C ATOM 161 CG1 VAL A 46 -3.605 -6.733 -2.880 1.00 0.43 C ATOM 162 CG2 VAL A 46 -4.604 -5.250 -4.630 1.00 0.41 C ATOM 0 H VAL A 46 -7.215 -6.358 -4.671 1.00 0.43 H new ATOM 0 HA VAL A 46 -4.828 -8.022 -4.924 1.00 0.40 H new ATOM 0 HB VAL A 46 -5.572 -5.926 -2.851 1.00 0.37 H new ATOM 0 HG11 VAL A 46 -3.153 -5.854 -2.420 1.00 0.43 H new ATOM 0 HG12 VAL A 46 -3.835 -7.469 -2.109 1.00 0.43 H new ATOM 0 HG13 VAL A 46 -2.908 -7.165 -3.598 1.00 0.43 H new ATOM 0 HG21 VAL A 46 -4.134 -4.394 -4.145 1.00 0.41 H new ATOM 0 HG22 VAL A 46 -3.937 -5.645 -5.396 1.00 0.41 H new ATOM 0 HG23 VAL A 46 -5.541 -4.937 -5.091 1.00 0.41 H new ATOM 172 N GLY A 47 -7.230 -8.510 -2.792 1.00 0.51 N ATOM 173 CA GLY A 47 -7.718 -9.364 -1.719 1.00 0.59 C ATOM 174 C GLY A 47 -7.790 -10.826 -2.112 1.00 0.65 C ATOM 175 O GLY A 47 -7.733 -11.710 -1.256 1.00 0.78 O ATOM 0 H GLY A 47 -7.933 -7.890 -3.195 1.00 0.51 H new ATOM 0 HA2 GLY A 47 -7.065 -9.258 -0.852 1.00 0.59 H new ATOM 0 HA3 GLY A 47 -8.709 -9.026 -1.415 1.00 0.59 H new ATOM 179 N LYS A 48 -7.889 -11.079 -3.411 1.00 0.66 N ATOM 180 CA LYS A 48 -8.005 -12.442 -3.918 1.00 0.79 C ATOM 181 C LYS A 48 -6.660 -13.150 -3.815 1.00 0.73 C ATOM 182 O LYS A 48 -6.576 -14.377 -3.819 1.00 0.86 O ATOM 183 CB LYS A 48 -8.461 -12.423 -5.380 1.00 0.94 C ATOM 184 CG LYS A 48 -7.347 -12.080 -6.360 1.00 1.18 C ATOM 185 CD LYS A 48 -7.836 -12.072 -7.798 1.00 1.81 C ATOM 186 CE LYS A 48 -6.670 -12.060 -8.775 1.00 2.64 C ATOM 187 NZ LYS A 48 -5.806 -10.862 -8.608 1.00 3.22 N ATOM 0 H LYS A 48 -7.891 -10.359 -4.133 1.00 0.66 H new ATOM 0 HA LYS A 48 -8.742 -12.977 -3.319 1.00 0.79 H new ATOM 0 HB2 LYS A 48 -8.872 -13.399 -5.637 1.00 0.94 H new ATOM 0 HB3 LYS A 48 -9.268 -11.698 -5.491 1.00 0.94 H new ATOM 0 HG2 LYS A 48 -6.935 -11.102 -6.112 1.00 1.18 H new ATOM 0 HG3 LYS A 48 -6.538 -12.803 -6.256 1.00 1.18 H new ATOM 0 HD2 LYS A 48 -8.456 -12.950 -7.979 1.00 1.81 H new ATOM 0 HD3 LYS A 48 -8.464 -11.197 -7.967 1.00 1.81 H new ATOM 0 HE2 LYS A 48 -6.071 -12.960 -8.633 1.00 2.64 H new ATOM 0 HE3 LYS A 48 -7.053 -12.089 -9.795 1.00 2.64 H new ATOM 0 HZ1 LYS A 48 -5.681 -10.393 -9.528 1.00 3.22 H new ATOM 0 HZ2 LYS A 48 -6.253 -10.202 -7.941 1.00 3.22 H new ATOM 0 HZ3 LYS A 48 -4.878 -11.152 -8.239 1.00 3.22 H new ATOM 201 N ASP A 49 -5.611 -12.354 -3.719 1.00 0.61 N ATOM 202 CA ASP A 49 -4.255 -12.866 -3.665 1.00 0.65 C ATOM 203 C ASP A 49 -3.504 -12.141 -2.558 1.00 0.53 C ATOM 204 O ASP A 49 -2.296 -11.913 -2.620 1.00 0.60 O ATOM 205 CB ASP A 49 -3.596 -12.647 -5.030 1.00 0.80 C ATOM 206 CG ASP A 49 -2.187 -13.209 -5.137 1.00 1.61 C ATOM 207 OD1 ASP A 49 -1.887 -14.229 -4.474 1.00 2.39 O ATOM 208 OD2 ASP A 49 -1.381 -12.639 -5.905 1.00 1.93 O ATOM 0 H ASP A 49 -5.675 -11.337 -3.676 1.00 0.61 H new ATOM 0 HA ASP A 49 -4.243 -13.933 -3.444 1.00 0.65 H new ATOM 0 HB2 ASP A 49 -4.218 -13.105 -5.799 1.00 0.80 H new ATOM 0 HB3 ASP A 49 -3.566 -11.578 -5.240 1.00 0.80 H new ATOM 213 N LYS A 50 -4.242 -11.823 -1.508 1.00 0.43 N ATOM 214 CA LYS A 50 -3.677 -11.149 -0.358 1.00 0.39 C ATOM 215 C LYS A 50 -2.936 -12.131 0.549 1.00 0.32 C ATOM 216 O LYS A 50 -1.881 -11.786 1.044 1.00 0.29 O ATOM 217 CB LYS A 50 -4.748 -10.419 0.449 1.00 0.50 C ATOM 218 CG LYS A 50 -4.163 -9.407 1.421 1.00 0.74 C ATOM 219 CD LYS A 50 -5.151 -9.028 2.506 1.00 0.72 C ATOM 220 CE LYS A 50 -5.339 -10.165 3.498 1.00 0.80 C ATOM 221 NZ LYS A 50 -4.096 -10.452 4.264 1.00 1.17 N ATOM 0 H LYS A 50 -5.239 -12.023 -1.431 1.00 0.43 H new ATOM 0 HA LYS A 50 -2.969 -10.414 -0.740 1.00 0.39 H new ATOM 0 HB2 LYS A 50 -5.427 -9.909 -0.234 1.00 0.50 H new ATOM 0 HB3 LYS A 50 -5.340 -11.148 1.002 1.00 0.50 H new ATOM 0 HG2 LYS A 50 -3.264 -9.820 1.877 1.00 0.74 H new ATOM 0 HG3 LYS A 50 -3.862 -8.512 0.876 1.00 0.74 H new ATOM 0 HD2 LYS A 50 -4.798 -8.140 3.029 1.00 0.72 H new ATOM 0 HD3 LYS A 50 -6.110 -8.772 2.055 1.00 0.72 H new ATOM 0 HE2 LYS A 50 -6.141 -9.911 4.191 1.00 0.80 H new ATOM 0 HE3 LYS A 50 -5.651 -11.063 2.965 1.00 0.80 H new ATOM 0 HZ1 LYS A 50 -4.169 -11.391 4.706 1.00 1.17 H new ATOM 0 HZ2 LYS A 50 -3.280 -10.436 3.620 1.00 1.17 H new ATOM 0 HZ3 LYS A 50 -3.969 -9.731 5.002 1.00 1.17 H new ATOM 235 N PRO A 51 -3.482 -13.352 0.808 1.00 0.34 N ATOM 236 CA PRO A 51 -2.791 -14.387 1.598 1.00 0.33 C ATOM 237 C PRO A 51 -1.304 -14.568 1.247 1.00 0.29 C ATOM 238 O PRO A 51 -0.507 -14.933 2.107 1.00 0.29 O ATOM 239 CB PRO A 51 -3.574 -15.644 1.254 1.00 0.45 C ATOM 240 CG PRO A 51 -4.965 -15.163 1.072 1.00 0.65 C ATOM 241 CD PRO A 51 -4.839 -13.816 0.414 1.00 0.44 C ATOM 0 HA PRO A 51 -2.773 -14.128 2.657 1.00 0.33 H new ATOM 0 HB2 PRO A 51 -3.193 -16.116 0.348 1.00 0.45 H new ATOM 0 HB3 PRO A 51 -3.509 -16.385 2.051 1.00 0.45 H new ATOM 0 HG2 PRO A 51 -5.541 -15.851 0.452 1.00 0.65 H new ATOM 0 HG3 PRO A 51 -5.482 -15.086 2.028 1.00 0.65 H new ATOM 0 HD2 PRO A 51 -4.937 -13.889 -0.669 1.00 0.44 H new ATOM 0 HD3 PRO A 51 -5.612 -13.129 0.758 1.00 0.44 H new ATOM 249 N THR A 52 -0.926 -14.301 0.002 1.00 0.29 N ATOM 250 CA THR A 52 0.477 -14.382 -0.387 1.00 0.28 C ATOM 251 C THR A 52 1.261 -13.238 0.260 1.00 0.25 C ATOM 252 O THR A 52 2.314 -13.444 0.875 1.00 0.25 O ATOM 253 CB THR A 52 0.626 -14.305 -1.920 1.00 0.33 C ATOM 254 OG1 THR A 52 -0.285 -15.225 -2.538 1.00 0.45 O ATOM 255 CG2 THR A 52 2.051 -14.630 -2.347 1.00 0.40 C ATOM 0 H THR A 52 -1.563 -14.030 -0.747 1.00 0.29 H new ATOM 0 HA THR A 52 0.873 -15.338 -0.046 1.00 0.28 H new ATOM 0 HB THR A 52 0.396 -13.288 -2.238 1.00 0.33 H new ATOM 0 HG1 THR A 52 -0.790 -14.764 -3.240 1.00 0.45 H new ATOM 0 HG21 THR A 52 2.129 -14.569 -3.432 1.00 0.40 H new ATOM 0 HG22 THR A 52 2.739 -13.916 -1.893 1.00 0.40 H new ATOM 0 HG23 THR A 52 2.307 -15.638 -2.022 1.00 0.40 H new ATOM 263 N TYR A 53 0.703 -12.039 0.171 1.00 0.25 N ATOM 264 CA TYR A 53 1.304 -10.866 0.794 1.00 0.25 C ATOM 265 C TYR A 53 1.080 -10.917 2.300 1.00 0.22 C ATOM 266 O TYR A 53 1.745 -10.229 3.064 1.00 0.21 O ATOM 267 CB TYR A 53 0.701 -9.583 0.210 1.00 0.28 C ATOM 268 CG TYR A 53 0.790 -9.487 -1.300 1.00 0.34 C ATOM 269 CD1 TYR A 53 1.887 -9.988 -1.989 1.00 0.44 C ATOM 270 CD2 TYR A 53 -0.225 -8.885 -2.034 1.00 0.49 C ATOM 271 CE1 TYR A 53 1.973 -9.889 -3.364 1.00 0.53 C ATOM 272 CE2 TYR A 53 -0.148 -8.785 -3.409 1.00 0.59 C ATOM 273 CZ TYR A 53 0.953 -9.289 -4.069 1.00 0.56 C ATOM 274 OH TYR A 53 1.041 -9.175 -5.436 1.00 0.70 O ATOM 0 H TYR A 53 -0.167 -11.852 -0.328 1.00 0.25 H new ATOM 0 HA TYR A 53 2.375 -10.865 0.591 1.00 0.25 H new ATOM 0 HB2 TYR A 53 -0.346 -9.519 0.506 1.00 0.28 H new ATOM 0 HB3 TYR A 53 1.209 -8.724 0.648 1.00 0.28 H new ATOM 0 HD1 TYR A 53 2.687 -10.463 -1.440 1.00 0.44 H new ATOM 0 HD2 TYR A 53 -1.088 -8.489 -1.520 1.00 0.49 H new ATOM 0 HE1 TYR A 53 2.835 -10.280 -3.884 1.00 0.53 H new ATOM 0 HE2 TYR A 53 -0.946 -8.315 -3.965 1.00 0.59 H new ATOM 0 HH TYR A 53 0.239 -8.729 -5.779 1.00 0.70 H new ATOM 284 N ASP A 54 0.133 -11.754 2.701 1.00 0.23 N ATOM 285 CA ASP A 54 -0.183 -11.987 4.104 1.00 0.24 C ATOM 286 C ASP A 54 0.924 -12.812 4.742 1.00 0.21 C ATOM 287 O ASP A 54 1.396 -12.506 5.835 1.00 0.22 O ATOM 288 CB ASP A 54 -1.523 -12.725 4.196 1.00 0.29 C ATOM 289 CG ASP A 54 -2.011 -12.953 5.610 1.00 0.50 C ATOM 290 OD1 ASP A 54 -1.453 -13.817 6.306 1.00 0.63 O ATOM 291 OD2 ASP A 54 -3.009 -12.305 6.002 1.00 0.73 O ATOM 0 H ASP A 54 -0.443 -12.295 2.056 1.00 0.23 H new ATOM 0 HA ASP A 54 -0.260 -11.038 4.635 1.00 0.24 H new ATOM 0 HB2 ASP A 54 -2.276 -12.156 3.651 1.00 0.29 H new ATOM 0 HB3 ASP A 54 -1.429 -13.689 3.696 1.00 0.29 H new ATOM 296 N GLU A 55 1.352 -13.848 4.032 1.00 0.23 N ATOM 297 CA GLU A 55 2.484 -14.643 4.468 1.00 0.25 C ATOM 298 C GLU A 55 3.723 -13.764 4.558 1.00 0.24 C ATOM 299 O GLU A 55 4.486 -13.846 5.526 1.00 0.30 O ATOM 300 CB GLU A 55 2.722 -15.816 3.513 1.00 0.32 C ATOM 301 CG GLU A 55 3.980 -16.605 3.832 1.00 0.41 C ATOM 302 CD GLU A 55 3.998 -17.975 3.191 1.00 1.13 C ATOM 303 OE1 GLU A 55 4.281 -18.053 1.976 1.00 1.86 O ATOM 304 OE2 GLU A 55 3.708 -18.970 3.883 1.00 1.66 O ATOM 0 H GLU A 55 0.931 -14.154 3.155 1.00 0.23 H new ATOM 0 HA GLU A 55 2.268 -15.053 5.455 1.00 0.25 H new ATOM 0 HB2 GLU A 55 1.863 -16.485 3.550 1.00 0.32 H new ATOM 0 HB3 GLU A 55 2.788 -15.437 2.493 1.00 0.32 H new ATOM 0 HG2 GLU A 55 4.850 -16.041 3.496 1.00 0.41 H new ATOM 0 HG3 GLU A 55 4.069 -16.715 4.913 1.00 0.41 H new ATOM 311 N ILE A 56 3.906 -12.906 3.556 1.00 0.22 N ATOM 312 CA ILE A 56 4.993 -11.933 3.586 1.00 0.24 C ATOM 313 C ILE A 56 4.823 -11.003 4.790 1.00 0.24 C ATOM 314 O ILE A 56 5.775 -10.718 5.514 1.00 0.27 O ATOM 315 CB ILE A 56 5.046 -11.094 2.288 1.00 0.27 C ATOM 316 CG1 ILE A 56 5.232 -12.003 1.069 1.00 0.29 C ATOM 317 CG2 ILE A 56 6.171 -10.067 2.354 1.00 0.31 C ATOM 318 CD1 ILE A 56 5.293 -11.252 -0.244 1.00 0.32 C ATOM 0 H ILE A 56 3.321 -12.865 2.721 1.00 0.22 H new ATOM 0 HA ILE A 56 5.930 -12.484 3.670 1.00 0.24 H new ATOM 0 HB ILE A 56 4.099 -10.563 2.188 1.00 0.27 H new ATOM 0 HG12 ILE A 56 6.150 -12.578 1.192 1.00 0.29 H new ATOM 0 HG13 ILE A 56 4.410 -12.718 1.031 1.00 0.29 H new ATOM 0 HG21 ILE A 56 6.190 -9.488 1.431 1.00 0.31 H new ATOM 0 HG22 ILE A 56 6.004 -9.398 3.198 1.00 0.31 H new ATOM 0 HG23 ILE A 56 7.125 -10.580 2.480 1.00 0.31 H new ATOM 0 HD11 ILE A 56 5.426 -11.960 -1.062 1.00 0.32 H new ATOM 0 HD12 ILE A 56 4.365 -10.698 -0.390 1.00 0.32 H new ATOM 0 HD13 ILE A 56 6.132 -10.556 -0.227 1.00 0.32 H new ATOM 330 N PHE A 57 3.587 -10.582 5.021 1.00 0.22 N ATOM 331 CA PHE A 57 3.246 -9.699 6.135 1.00 0.23 C ATOM 332 C PHE A 57 3.740 -10.275 7.460 1.00 0.26 C ATOM 333 O PHE A 57 4.178 -9.537 8.343 1.00 0.29 O ATOM 334 CB PHE A 57 1.725 -9.492 6.167 1.00 0.23 C ATOM 335 CG PHE A 57 1.247 -8.418 7.101 1.00 0.26 C ATOM 336 CD1 PHE A 57 1.578 -7.094 6.879 1.00 0.27 C ATOM 337 CD2 PHE A 57 0.442 -8.733 8.182 1.00 0.35 C ATOM 338 CE1 PHE A 57 1.117 -6.100 7.716 1.00 0.30 C ATOM 339 CE2 PHE A 57 -0.019 -7.742 9.028 1.00 0.39 C ATOM 340 CZ PHE A 57 0.320 -6.424 8.795 1.00 0.34 C ATOM 0 H PHE A 57 2.789 -10.842 4.442 1.00 0.22 H new ATOM 0 HA PHE A 57 3.739 -8.737 5.991 1.00 0.23 H new ATOM 0 HB2 PHE A 57 1.385 -9.253 5.159 1.00 0.23 H new ATOM 0 HB3 PHE A 57 1.252 -10.433 6.448 1.00 0.23 H new ATOM 0 HD1 PHE A 57 2.206 -6.835 6.039 1.00 0.27 H new ATOM 0 HD2 PHE A 57 0.172 -9.762 8.366 1.00 0.35 H new ATOM 0 HE1 PHE A 57 1.379 -5.069 7.527 1.00 0.30 H new ATOM 0 HE2 PHE A 57 -0.644 -7.998 9.871 1.00 0.39 H new ATOM 0 HZ PHE A 57 -0.038 -5.648 9.456 1.00 0.34 H new ATOM 350 N TYR A 58 3.702 -11.598 7.584 1.00 0.33 N ATOM 351 CA TYR A 58 4.132 -12.253 8.815 1.00 0.40 C ATOM 352 C TYR A 58 5.637 -12.487 8.858 1.00 0.44 C ATOM 353 O TYR A 58 6.216 -12.601 9.939 1.00 0.62 O ATOM 354 CB TYR A 58 3.393 -13.580 9.012 1.00 0.46 C ATOM 355 CG TYR A 58 2.003 -13.419 9.585 1.00 0.53 C ATOM 356 CD1 TYR A 58 0.924 -13.086 8.778 1.00 0.60 C ATOM 357 CD2 TYR A 58 1.774 -13.600 10.942 1.00 0.77 C ATOM 358 CE1 TYR A 58 -0.341 -12.934 9.307 1.00 0.71 C ATOM 359 CE2 TYR A 58 0.511 -13.449 11.477 1.00 0.87 C ATOM 360 CZ TYR A 58 -0.541 -13.116 10.655 1.00 0.78 C ATOM 361 OH TYR A 58 -1.795 -12.962 11.189 1.00 0.91 O ATOM 0 H TYR A 58 3.381 -12.233 6.854 1.00 0.33 H new ATOM 0 HA TYR A 58 3.882 -11.575 9.631 1.00 0.40 H new ATOM 0 HB2 TYR A 58 3.325 -14.094 8.053 1.00 0.46 H new ATOM 0 HB3 TYR A 58 3.979 -14.218 9.674 1.00 0.46 H new ATOM 0 HD1 TYR A 58 1.077 -12.944 7.718 1.00 0.60 H new ATOM 0 HD2 TYR A 58 2.597 -13.863 11.589 1.00 0.77 H new ATOM 0 HE1 TYR A 58 -1.170 -12.673 8.666 1.00 0.71 H new ATOM 0 HE2 TYR A 58 0.349 -13.591 12.535 1.00 0.87 H new ATOM 0 HH TYR A 58 -1.762 -13.127 12.154 1.00 0.91 H new ATOM 371 N THR A 59 6.279 -12.531 7.704 1.00 0.40 N ATOM 372 CA THR A 59 7.722 -12.692 7.674 1.00 0.45 C ATOM 373 C THR A 59 8.413 -11.373 8.012 1.00 0.48 C ATOM 374 O THR A 59 9.617 -11.330 8.261 1.00 0.56 O ATOM 375 CB THR A 59 8.220 -13.236 6.317 1.00 0.49 C ATOM 376 OG1 THR A 59 7.630 -12.514 5.229 1.00 0.48 O ATOM 377 CG2 THR A 59 7.897 -14.717 6.175 1.00 0.58 C ATOM 0 H THR A 59 5.833 -12.459 6.789 1.00 0.40 H new ATOM 0 HA THR A 59 7.982 -13.432 8.431 1.00 0.45 H new ATOM 0 HB THR A 59 9.301 -13.103 6.287 1.00 0.49 H new ATOM 0 HG1 THR A 59 7.236 -11.681 5.564 1.00 0.48 H new ATOM 0 HG21 THR A 59 8.257 -15.077 5.211 1.00 0.58 H new ATOM 0 HG22 THR A 59 8.384 -15.274 6.976 1.00 0.58 H new ATOM 0 HG23 THR A 59 6.818 -14.862 6.236 1.00 0.58 H new ATOM 385 N LEU A 60 7.632 -10.296 8.037 1.00 0.48 N ATOM 386 CA LEU A 60 8.137 -8.986 8.409 1.00 0.56 C ATOM 387 C LEU A 60 7.797 -8.652 9.853 1.00 0.61 C ATOM 388 O LEU A 60 8.053 -7.539 10.311 1.00 0.71 O ATOM 389 CB LEU A 60 7.575 -7.913 7.481 1.00 0.64 C ATOM 390 CG LEU A 60 8.316 -7.768 6.154 1.00 0.42 C ATOM 391 CD1 LEU A 60 8.095 -8.961 5.250 1.00 0.86 C ATOM 392 CD2 LEU A 60 7.906 -6.490 5.452 1.00 1.17 C ATOM 0 H LEU A 60 6.640 -10.310 7.801 1.00 0.48 H new ATOM 0 HA LEU A 60 9.222 -9.010 8.310 1.00 0.56 H new ATOM 0 HB2 LEU A 60 6.529 -8.141 7.275 1.00 0.64 H new ATOM 0 HB3 LEU A 60 7.596 -6.955 8.000 1.00 0.64 H new ATOM 0 HG LEU A 60 9.381 -7.721 6.380 1.00 0.42 H new ATOM 0 HD11 LEU A 60 8.640 -8.816 4.317 1.00 0.86 H new ATOM 0 HD12 LEU A 60 8.455 -9.864 5.744 1.00 0.86 H new ATOM 0 HD13 LEU A 60 7.031 -9.064 5.037 1.00 0.86 H new ATOM 0 HD21 LEU A 60 8.445 -6.404 4.508 1.00 1.17 H new ATOM 0 HD22 LEU A 60 6.834 -6.510 5.257 1.00 1.17 H new ATOM 0 HD23 LEU A 60 8.144 -5.635 6.085 1.00 1.17 H new ATOM 404 N SER A 61 7.245 -9.633 10.566 1.00 0.59 N ATOM 405 CA SER A 61 6.843 -9.461 11.960 1.00 0.66 C ATOM 406 C SER A 61 5.711 -8.443 12.076 1.00 0.70 C ATOM 407 O SER A 61 5.943 -7.246 12.254 1.00 0.78 O ATOM 408 CB SER A 61 8.037 -9.031 12.810 1.00 0.74 C ATOM 409 OG SER A 61 9.147 -9.888 12.585 1.00 1.14 O ATOM 0 H SER A 61 7.065 -10.566 10.195 1.00 0.59 H new ATOM 0 HA SER A 61 6.479 -10.419 12.331 1.00 0.66 H new ATOM 0 HB2 SER A 61 8.310 -8.003 12.570 1.00 0.74 H new ATOM 0 HB3 SER A 61 7.764 -9.050 13.865 1.00 0.74 H new ATOM 0 HG SER A 61 9.903 -9.596 13.137 1.00 1.14 H new ATOM 415 N PRO A 62 4.464 -8.907 11.961 1.00 0.67 N ATOM 416 CA PRO A 62 3.309 -8.030 11.969 1.00 0.71 C ATOM 417 C PRO A 62 2.852 -7.693 13.386 1.00 0.83 C ATOM 418 O PRO A 62 2.207 -8.497 14.062 1.00 1.10 O ATOM 419 CB PRO A 62 2.269 -8.856 11.224 1.00 0.72 C ATOM 420 CG PRO A 62 2.588 -10.269 11.581 1.00 0.68 C ATOM 421 CD PRO A 62 4.078 -10.324 11.824 1.00 0.65 C ATOM 0 HA PRO A 62 3.504 -7.059 11.514 1.00 0.71 H new ATOM 0 HB2 PRO A 62 1.257 -8.588 11.529 1.00 0.72 H new ATOM 0 HB3 PRO A 62 2.331 -8.695 10.148 1.00 0.72 H new ATOM 0 HG2 PRO A 62 2.038 -10.578 12.470 1.00 0.68 H new ATOM 0 HG3 PRO A 62 2.301 -10.947 10.777 1.00 0.68 H new ATOM 0 HD2 PRO A 62 4.316 -10.892 12.723 1.00 0.65 H new ATOM 0 HD3 PRO A 62 4.601 -10.803 10.996 1.00 0.65 H new ATOM 429 N VAL A 63 3.190 -6.497 13.829 1.00 0.70 N ATOM 430 CA VAL A 63 2.887 -6.078 15.177 1.00 0.79 C ATOM 431 C VAL A 63 1.501 -5.451 15.253 1.00 0.78 C ATOM 432 O VAL A 63 1.251 -4.386 14.689 1.00 0.72 O ATOM 433 CB VAL A 63 3.952 -5.096 15.722 1.00 0.83 C ATOM 434 CG1 VAL A 63 5.259 -5.824 16.007 1.00 1.60 C ATOM 435 CG2 VAL A 63 4.199 -3.955 14.743 1.00 1.66 C ATOM 0 H VAL A 63 3.677 -5.798 13.269 1.00 0.70 H new ATOM 0 HA VAL A 63 2.901 -6.969 15.804 1.00 0.79 H new ATOM 0 HB VAL A 63 3.569 -4.677 16.653 1.00 0.83 H new ATOM 0 HG11 VAL A 63 5.994 -5.116 16.389 1.00 1.60 H new ATOM 0 HG12 VAL A 63 5.087 -6.604 16.749 1.00 1.60 H new ATOM 0 HG13 VAL A 63 5.633 -6.274 15.087 1.00 1.60 H new ATOM 0 HG21 VAL A 63 4.952 -3.281 15.152 1.00 1.66 H new ATOM 0 HG22 VAL A 63 4.552 -4.360 13.794 1.00 1.66 H new ATOM 0 HG23 VAL A 63 3.271 -3.407 14.581 1.00 1.66 H new ATOM 445 N ASN A 64 0.587 -6.163 15.905 1.00 0.92 N ATOM 446 CA ASN A 64 -0.760 -5.655 16.168 1.00 1.00 C ATOM 447 C ASN A 64 -1.538 -5.460 14.865 1.00 0.91 C ATOM 448 O ASN A 64 -2.452 -4.637 14.791 1.00 0.97 O ATOM 449 CB ASN A 64 -0.690 -4.327 16.936 1.00 1.05 C ATOM 450 CG ASN A 64 0.126 -4.420 18.215 1.00 1.25 C ATOM 451 OD1 ASN A 64 0.197 -5.470 18.853 1.00 1.98 O ATOM 452 ND2 ASN A 64 0.755 -3.320 18.597 1.00 1.61 N ATOM 0 H ASN A 64 0.755 -7.103 16.265 1.00 0.92 H new ATOM 0 HA ASN A 64 -1.283 -6.393 16.776 1.00 1.00 H new ATOM 0 HB2 ASN A 64 -0.257 -3.563 16.290 1.00 1.05 H new ATOM 0 HB3 ASN A 64 -1.701 -4.002 17.180 1.00 1.05 H new ATOM 0 HD21 ASN A 64 1.321 -3.325 19.445 1.00 1.61 H new ATOM 0 HD22 ASN A 64 0.673 -2.467 18.043 1.00 1.61 H new ATOM 459 N GLY A 65 -1.174 -6.228 13.846 1.00 0.83 N ATOM 460 CA GLY A 65 -1.845 -6.140 12.561 1.00 0.78 C ATOM 461 C GLY A 65 -1.327 -5.002 11.724 1.00 0.59 C ATOM 462 O GLY A 65 -1.987 -4.546 10.791 1.00 0.59 O ATOM 0 H GLY A 65 -0.421 -6.915 13.886 1.00 0.83 H new ATOM 0 HA2 GLY A 65 -1.712 -7.076 12.019 1.00 0.78 H new ATOM 0 HA3 GLY A 65 -2.916 -6.013 12.720 1.00 0.78 H new ATOM 466 N LYS A 66 -0.139 -4.547 12.063 1.00 0.51 N ATOM 467 CA LYS A 66 0.521 -3.481 11.340 1.00 0.40 C ATOM 468 C LYS A 66 2.009 -3.787 11.210 1.00 0.36 C ATOM 469 O LYS A 66 2.559 -4.544 12.009 1.00 0.55 O ATOM 470 CB LYS A 66 0.346 -2.165 12.082 1.00 0.52 C ATOM 471 CG LYS A 66 -0.995 -1.478 11.873 1.00 0.70 C ATOM 472 CD LYS A 66 -1.065 -0.190 12.679 1.00 0.74 C ATOM 473 CE LYS A 66 -2.347 0.598 12.424 1.00 0.74 C ATOM 474 NZ LYS A 66 -2.316 1.367 11.146 1.00 0.97 N ATOM 0 H LYS A 66 0.398 -4.908 12.851 1.00 0.51 H new ATOM 0 HA LYS A 66 0.076 -3.402 10.348 1.00 0.40 H new ATOM 0 HB2 LYS A 66 0.481 -2.347 13.148 1.00 0.52 H new ATOM 0 HB3 LYS A 66 1.138 -1.483 11.772 1.00 0.52 H new ATOM 0 HG2 LYS A 66 -1.137 -1.260 10.815 1.00 0.70 H new ATOM 0 HG3 LYS A 66 -1.803 -2.146 12.172 1.00 0.70 H new ATOM 0 HD2 LYS A 66 -0.995 -0.427 13.741 1.00 0.74 H new ATOM 0 HD3 LYS A 66 -0.206 0.434 12.434 1.00 0.74 H new ATOM 0 HE2 LYS A 66 -3.192 -0.090 12.407 1.00 0.74 H new ATOM 0 HE3 LYS A 66 -2.514 1.287 13.252 1.00 0.74 H new ATOM 0 HZ1 LYS A 66 -3.265 1.742 10.943 1.00 0.97 H new ATOM 0 HZ2 LYS A 66 -1.643 2.155 11.231 1.00 0.97 H new ATOM 0 HZ3 LYS A 66 -2.019 0.740 10.371 1.00 0.97 H new ATOM 488 N ILE A 67 2.657 -3.225 10.203 1.00 0.30 N ATOM 489 CA ILE A 67 4.107 -3.301 10.098 1.00 0.29 C ATOM 490 C ILE A 67 4.688 -1.922 9.824 1.00 0.28 C ATOM 491 O ILE A 67 4.218 -1.193 8.945 1.00 0.37 O ATOM 492 CB ILE A 67 4.593 -4.289 9.010 1.00 0.30 C ATOM 493 CG1 ILE A 67 3.987 -3.954 7.647 1.00 0.29 C ATOM 494 CG2 ILE A 67 4.272 -5.724 9.401 1.00 0.32 C ATOM 495 CD1 ILE A 67 4.561 -4.772 6.517 1.00 0.31 C ATOM 0 H ILE A 67 2.204 -2.712 9.447 1.00 0.30 H new ATOM 0 HA ILE A 67 4.462 -3.680 11.057 1.00 0.29 H new ATOM 0 HB ILE A 67 5.675 -4.188 8.930 1.00 0.30 H new ATOM 0 HG12 ILE A 67 2.909 -4.112 7.689 1.00 0.29 H new ATOM 0 HG13 ILE A 67 4.146 -2.896 7.437 1.00 0.29 H new ATOM 0 HG21 ILE A 67 4.623 -6.401 8.622 1.00 0.32 H new ATOM 0 HG22 ILE A 67 4.769 -5.965 10.341 1.00 0.32 H new ATOM 0 HG23 ILE A 67 3.194 -5.836 9.521 1.00 0.32 H new ATOM 0 HD11 ILE A 67 4.086 -4.482 5.580 1.00 0.31 H new ATOM 0 HD12 ILE A 67 5.635 -4.596 6.449 1.00 0.31 H new ATOM 0 HD13 ILE A 67 4.378 -5.830 6.704 1.00 0.31 H new ATOM 507 N THR A 68 5.697 -1.563 10.595 1.00 0.28 N ATOM 508 CA THR A 68 6.324 -0.257 10.474 1.00 0.26 C ATOM 509 C THR A 68 7.055 -0.119 9.134 1.00 0.25 C ATOM 510 O THR A 68 7.362 -1.121 8.475 1.00 0.31 O ATOM 511 CB THR A 68 7.299 -0.016 11.638 1.00 0.31 C ATOM 512 OG1 THR A 68 8.096 -1.188 11.845 1.00 1.31 O ATOM 513 CG2 THR A 68 6.540 0.327 12.914 1.00 1.12 C ATOM 0 H THR A 68 6.103 -2.160 11.316 1.00 0.28 H new ATOM 0 HA THR A 68 5.538 0.497 10.513 1.00 0.26 H new ATOM 0 HB THR A 68 7.945 0.825 11.386 1.00 0.31 H new ATOM 0 HG1 THR A 68 8.719 -1.034 12.586 1.00 1.31 H new ATOM 0 HG21 THR A 68 7.249 0.494 13.725 1.00 1.12 H new ATOM 0 HG22 THR A 68 5.951 1.230 12.755 1.00 1.12 H new ATOM 0 HG23 THR A 68 5.877 -0.497 13.175 1.00 1.12 H new ATOM 521 N GLY A 69 7.343 1.121 8.744 1.00 0.24 N ATOM 522 CA GLY A 69 7.922 1.387 7.435 1.00 0.26 C ATOM 523 C GLY A 69 9.315 0.812 7.256 1.00 0.25 C ATOM 524 O GLY A 69 9.793 0.691 6.134 1.00 0.33 O ATOM 0 H GLY A 69 7.185 1.952 9.315 1.00 0.24 H new ATOM 0 HA2 GLY A 69 7.267 0.975 6.667 1.00 0.26 H new ATOM 0 HA3 GLY A 69 7.960 2.465 7.277 1.00 0.26 H new ATOM 528 N ALA A 70 9.970 0.459 8.357 1.00 0.23 N ATOM 529 CA ALA A 70 11.301 -0.139 8.297 1.00 0.24 C ATOM 530 C ALA A 70 11.267 -1.466 7.539 1.00 0.22 C ATOM 531 O ALA A 70 12.030 -1.680 6.597 1.00 0.25 O ATOM 532 CB ALA A 70 11.853 -0.345 9.700 1.00 0.27 C ATOM 0 H ALA A 70 9.602 0.576 9.301 1.00 0.23 H new ATOM 0 HA ALA A 70 11.958 0.545 7.759 1.00 0.24 H new ATOM 0 HB1 ALA A 70 12.845 -0.791 9.639 1.00 0.27 H new ATOM 0 HB2 ALA A 70 11.918 0.616 10.210 1.00 0.27 H new ATOM 0 HB3 ALA A 70 11.191 -1.007 10.258 1.00 0.27 H new ATOM 538 N ASN A 71 10.353 -2.342 7.945 1.00 0.29 N ATOM 539 CA ASN A 71 10.221 -3.661 7.326 1.00 0.32 C ATOM 540 C ASN A 71 9.704 -3.517 5.902 1.00 0.24 C ATOM 541 O ASN A 71 10.192 -4.169 4.975 1.00 0.20 O ATOM 542 CB ASN A 71 9.268 -4.554 8.134 1.00 0.48 C ATOM 543 CG ASN A 71 9.589 -4.567 9.614 1.00 0.69 C ATOM 544 OD1 ASN A 71 10.443 -5.324 10.078 1.00 1.79 O ATOM 545 ND2 ASN A 71 8.885 -3.738 10.370 1.00 0.71 N ATOM 0 H ASN A 71 9.691 -2.164 8.700 1.00 0.29 H new ATOM 0 HA ASN A 71 11.205 -4.130 7.311 1.00 0.32 H new ATOM 0 HB2 ASN A 71 8.244 -4.207 7.992 1.00 0.48 H new ATOM 0 HB3 ASN A 71 9.316 -5.572 7.748 1.00 0.48 H new ATOM 0 HD21 ASN A 71 9.041 -3.710 11.378 1.00 0.71 H new ATOM 0 HD22 ASN A 71 8.187 -3.128 9.945 1.00 0.71 H new ATOM 552 N ALA A 72 8.719 -2.645 5.744 1.00 0.26 N ATOM 553 CA ALA A 72 8.126 -2.375 4.439 1.00 0.26 C ATOM 554 C ALA A 72 9.176 -1.886 3.438 1.00 0.20 C ATOM 555 O ALA A 72 9.331 -2.462 2.360 1.00 0.21 O ATOM 556 CB ALA A 72 7.010 -1.355 4.575 1.00 0.32 C ATOM 0 H ALA A 72 8.310 -2.108 6.509 1.00 0.26 H new ATOM 0 HA ALA A 72 7.712 -3.308 4.057 1.00 0.26 H new ATOM 0 HB1 ALA A 72 6.574 -1.160 3.595 1.00 0.32 H new ATOM 0 HB2 ALA A 72 6.242 -1.743 5.244 1.00 0.32 H new ATOM 0 HB3 ALA A 72 7.412 -0.428 4.984 1.00 0.32 H new ATOM 562 N LYS A 73 9.910 -0.843 3.813 1.00 0.19 N ATOM 563 CA LYS A 73 10.944 -0.283 2.952 1.00 0.17 C ATOM 564 C LYS A 73 12.021 -1.323 2.675 1.00 0.18 C ATOM 565 O LYS A 73 12.575 -1.377 1.578 1.00 0.20 O ATOM 566 CB LYS A 73 11.565 0.962 3.586 1.00 0.19 C ATOM 567 CG LYS A 73 12.666 1.573 2.739 1.00 0.31 C ATOM 568 CD LYS A 73 13.227 2.840 3.359 1.00 0.58 C ATOM 569 CE LYS A 73 14.398 3.375 2.550 1.00 0.91 C ATOM 570 NZ LYS A 73 14.976 4.610 3.146 1.00 1.36 N ATOM 0 H LYS A 73 9.807 -0.368 4.710 1.00 0.19 H new ATOM 0 HA LYS A 73 10.481 0.007 2.009 1.00 0.17 H new ATOM 0 HB2 LYS A 73 10.786 1.706 3.751 1.00 0.19 H new ATOM 0 HB3 LYS A 73 11.969 0.702 4.564 1.00 0.19 H new ATOM 0 HG2 LYS A 73 13.469 0.847 2.610 1.00 0.31 H new ATOM 0 HG3 LYS A 73 12.277 1.798 1.746 1.00 0.31 H new ATOM 0 HD2 LYS A 73 12.445 3.597 3.417 1.00 0.58 H new ATOM 0 HD3 LYS A 73 13.550 2.637 4.380 1.00 0.58 H new ATOM 0 HE2 LYS A 73 15.171 2.610 2.484 1.00 0.91 H new ATOM 0 HE3 LYS A 73 14.069 3.585 1.532 1.00 0.91 H new ATOM 0 HZ1 LYS A 73 15.726 4.976 2.526 1.00 1.36 H new ATOM 0 HZ2 LYS A 73 14.230 5.328 3.249 1.00 1.36 H new ATOM 0 HZ3 LYS A 73 15.376 4.390 4.080 1.00 1.36 H new ATOM 584 N LYS A 74 12.305 -2.148 3.677 1.00 0.20 N ATOM 585 CA LYS A 74 13.226 -3.266 3.522 1.00 0.23 C ATOM 586 C LYS A 74 12.835 -4.112 2.313 1.00 0.20 C ATOM 587 O LYS A 74 13.675 -4.447 1.478 1.00 0.22 O ATOM 588 CB LYS A 74 13.206 -4.133 4.783 1.00 0.31 C ATOM 589 CG LYS A 74 14.009 -5.421 4.666 1.00 1.15 C ATOM 590 CD LYS A 74 13.587 -6.436 5.723 1.00 1.35 C ATOM 591 CE LYS A 74 12.165 -6.935 5.482 1.00 1.67 C ATOM 592 NZ LYS A 74 12.057 -7.730 4.228 1.00 2.48 N ATOM 0 H LYS A 74 11.907 -2.061 4.612 1.00 0.20 H new ATOM 0 HA LYS A 74 14.231 -2.872 3.368 1.00 0.23 H new ATOM 0 HB2 LYS A 74 13.595 -3.550 5.618 1.00 0.31 H new ATOM 0 HB3 LYS A 74 12.172 -4.383 5.023 1.00 0.31 H new ATOM 0 HG2 LYS A 74 13.871 -5.849 3.673 1.00 1.15 H new ATOM 0 HG3 LYS A 74 15.071 -5.201 4.774 1.00 1.15 H new ATOM 0 HD2 LYS A 74 14.276 -7.280 5.714 1.00 1.35 H new ATOM 0 HD3 LYS A 74 13.652 -5.982 6.712 1.00 1.35 H new ATOM 0 HE2 LYS A 74 11.847 -7.546 6.327 1.00 1.67 H new ATOM 0 HE3 LYS A 74 11.486 -6.084 5.431 1.00 1.67 H new ATOM 0 HZ1 LYS A 74 11.075 -8.049 4.103 1.00 2.48 H new ATOM 0 HZ2 LYS A 74 12.335 -7.140 3.418 1.00 2.48 H new ATOM 0 HZ3 LYS A 74 12.685 -8.557 4.286 1.00 2.48 H new ATOM 606 N GLU A 75 11.553 -4.435 2.211 1.00 0.21 N ATOM 607 CA GLU A 75 11.065 -5.246 1.106 1.00 0.22 C ATOM 608 C GLU A 75 11.212 -4.486 -0.209 1.00 0.20 C ATOM 609 O GLU A 75 11.579 -5.053 -1.244 1.00 0.24 O ATOM 610 CB GLU A 75 9.597 -5.616 1.333 1.00 0.29 C ATOM 611 CG GLU A 75 9.249 -7.019 0.888 1.00 0.33 C ATOM 612 CD GLU A 75 10.104 -8.042 1.605 1.00 1.30 C ATOM 613 OE1 GLU A 75 9.913 -8.240 2.823 1.00 2.16 O ATOM 614 OE2 GLU A 75 10.937 -8.690 0.937 1.00 1.35 O ATOM 0 H GLU A 75 10.836 -4.149 2.877 1.00 0.21 H new ATOM 0 HA GLU A 75 11.657 -6.160 1.054 1.00 0.22 H new ATOM 0 HB2 GLU A 75 9.365 -5.512 2.393 1.00 0.29 H new ATOM 0 HB3 GLU A 75 8.966 -4.907 0.797 1.00 0.29 H new ATOM 0 HG2 GLU A 75 8.196 -7.217 1.086 1.00 0.33 H new ATOM 0 HG3 GLU A 75 9.393 -7.109 -0.189 1.00 0.33 H new ATOM 621 N MET A 76 10.962 -3.188 -0.146 1.00 0.19 N ATOM 622 CA MET A 76 10.964 -2.348 -1.335 1.00 0.20 C ATOM 623 C MET A 76 12.383 -2.138 -1.871 1.00 0.22 C ATOM 624 O MET A 76 12.584 -2.010 -3.081 1.00 0.29 O ATOM 625 CB MET A 76 10.292 -1.014 -1.020 1.00 0.22 C ATOM 626 CG MET A 76 8.912 -1.191 -0.408 1.00 0.24 C ATOM 627 SD MET A 76 8.063 0.359 -0.063 1.00 0.39 S ATOM 628 CE MET A 76 7.693 0.919 -1.721 1.00 0.51 C ATOM 0 H MET A 76 10.754 -2.690 0.720 1.00 0.19 H new ATOM 0 HA MET A 76 10.399 -2.853 -2.119 1.00 0.20 H new ATOM 0 HB2 MET A 76 10.921 -0.447 -0.334 1.00 0.22 H new ATOM 0 HB3 MET A 76 10.208 -0.427 -1.935 1.00 0.22 H new ATOM 0 HG2 MET A 76 8.299 -1.787 -1.084 1.00 0.24 H new ATOM 0 HG3 MET A 76 9.006 -1.757 0.519 1.00 0.24 H new ATOM 0 HE1 MET A 76 8.281 1.810 -1.944 1.00 0.51 H new ATOM 0 HE2 MET A 76 7.941 0.133 -2.434 1.00 0.51 H new ATOM 0 HE3 MET A 76 6.632 1.156 -1.797 1.00 0.51 H new ATOM 638 N VAL A 77 13.373 -2.128 -0.983 1.00 0.20 N ATOM 639 CA VAL A 77 14.760 -1.983 -1.409 1.00 0.26 C ATOM 640 C VAL A 77 15.310 -3.319 -1.898 1.00 0.27 C ATOM 641 O VAL A 77 16.240 -3.359 -2.701 1.00 0.32 O ATOM 642 CB VAL A 77 15.672 -1.398 -0.304 1.00 0.37 C ATOM 643 CG1 VAL A 77 15.208 -0.004 0.084 1.00 1.34 C ATOM 644 CG2 VAL A 77 15.718 -2.300 0.918 1.00 0.96 C ATOM 0 H VAL A 77 13.243 -2.218 0.025 1.00 0.20 H new ATOM 0 HA VAL A 77 14.762 -1.267 -2.231 1.00 0.26 H new ATOM 0 HB VAL A 77 16.682 -1.335 -0.708 1.00 0.37 H new ATOM 0 HG11 VAL A 77 15.860 0.393 0.862 1.00 1.34 H new ATOM 0 HG12 VAL A 77 15.246 0.648 -0.789 1.00 1.34 H new ATOM 0 HG13 VAL A 77 14.185 -0.052 0.457 1.00 1.34 H new ATOM 0 HG21 VAL A 77 16.368 -1.857 1.673 1.00 0.96 H new ATOM 0 HG22 VAL A 77 14.713 -2.413 1.325 1.00 0.96 H new ATOM 0 HG23 VAL A 77 16.106 -3.278 0.634 1.00 0.96 H new ATOM 654 N LYS A 78 14.715 -4.416 -1.429 1.00 0.27 N ATOM 655 CA LYS A 78 15.056 -5.742 -1.945 1.00 0.32 C ATOM 656 C LYS A 78 14.527 -5.898 -3.358 1.00 0.32 C ATOM 657 O LYS A 78 15.074 -6.649 -4.165 1.00 0.40 O ATOM 658 CB LYS A 78 14.450 -6.834 -1.073 1.00 0.43 C ATOM 659 CG LYS A 78 15.035 -6.898 0.320 1.00 0.59 C ATOM 660 CD LYS A 78 14.173 -7.739 1.237 1.00 0.83 C ATOM 661 CE LYS A 78 14.088 -9.192 0.781 1.00 1.36 C ATOM 662 NZ LYS A 78 15.415 -9.860 0.763 1.00 2.20 N ATOM 0 H LYS A 78 14.002 -4.414 -0.700 1.00 0.27 H new ATOM 0 HA LYS A 78 16.142 -5.838 -1.938 1.00 0.32 H new ATOM 0 HB2 LYS A 78 13.375 -6.671 -0.998 1.00 0.43 H new ATOM 0 HB3 LYS A 78 14.593 -7.798 -1.562 1.00 0.43 H new ATOM 0 HG2 LYS A 78 16.040 -7.317 0.276 1.00 0.59 H new ATOM 0 HG3 LYS A 78 15.127 -5.890 0.726 1.00 0.59 H new ATOM 0 HD2 LYS A 78 14.578 -7.701 2.248 1.00 0.83 H new ATOM 0 HD3 LYS A 78 13.170 -7.315 1.279 1.00 0.83 H new ATOM 0 HE2 LYS A 78 13.418 -9.739 1.444 1.00 1.36 H new ATOM 0 HE3 LYS A 78 13.651 -9.232 -0.217 1.00 1.36 H new ATOM 0 HZ1 LYS A 78 15.288 -10.881 0.613 1.00 2.20 H new ATOM 0 HZ2 LYS A 78 15.992 -9.466 -0.008 1.00 2.20 H new ATOM 0 HZ3 LYS A 78 15.896 -9.701 1.671 1.00 2.20 H new ATOM 676 N SER A 79 13.448 -5.184 -3.638 1.00 0.29 N ATOM 677 CA SER A 79 12.860 -5.166 -4.973 1.00 0.33 C ATOM 678 C SER A 79 13.801 -4.497 -5.980 1.00 0.33 C ATOM 679 O SER A 79 13.666 -4.688 -7.193 1.00 0.42 O ATOM 680 CB SER A 79 11.518 -4.434 -4.938 1.00 0.37 C ATOM 681 OG SER A 79 10.648 -5.011 -3.975 1.00 0.91 O ATOM 0 H SER A 79 12.958 -4.605 -2.956 1.00 0.29 H new ATOM 0 HA SER A 79 12.701 -6.196 -5.293 1.00 0.33 H new ATOM 0 HB2 SER A 79 11.680 -3.382 -4.703 1.00 0.37 H new ATOM 0 HB3 SER A 79 11.053 -4.473 -5.923 1.00 0.37 H new ATOM 0 HG SER A 79 11.007 -4.858 -3.076 1.00 0.91 H new ATOM 687 N LYS A 80 14.750 -3.715 -5.460 1.00 0.31 N ATOM 688 CA LYS A 80 15.763 -3.036 -6.274 1.00 0.35 C ATOM 689 C LYS A 80 15.125 -2.040 -7.242 1.00 0.31 C ATOM 690 O LYS A 80 15.598 -1.863 -8.368 1.00 0.38 O ATOM 691 CB LYS A 80 16.614 -4.050 -7.052 1.00 0.47 C ATOM 692 CG LYS A 80 17.303 -5.078 -6.170 1.00 0.63 C ATOM 693 CD LYS A 80 18.184 -6.001 -6.988 1.00 1.03 C ATOM 694 CE LYS A 80 18.708 -7.155 -6.152 1.00 1.56 C ATOM 695 NZ LYS A 80 19.629 -8.021 -6.929 1.00 2.37 N ATOM 0 H LYS A 80 14.838 -3.534 -4.460 1.00 0.31 H new ATOM 0 HA LYS A 80 16.410 -2.485 -5.591 1.00 0.35 H new ATOM 0 HB2 LYS A 80 15.978 -4.569 -7.770 1.00 0.47 H new ATOM 0 HB3 LYS A 80 17.369 -3.512 -7.625 1.00 0.47 H new ATOM 0 HG2 LYS A 80 17.905 -4.570 -5.417 1.00 0.63 H new ATOM 0 HG3 LYS A 80 16.554 -5.664 -5.637 1.00 0.63 H new ATOM 0 HD2 LYS A 80 17.618 -6.391 -7.834 1.00 1.03 H new ATOM 0 HD3 LYS A 80 19.022 -5.437 -7.398 1.00 1.03 H new ATOM 0 HE2 LYS A 80 19.227 -6.764 -5.277 1.00 1.56 H new ATOM 0 HE3 LYS A 80 17.871 -7.750 -5.787 1.00 1.56 H new ATOM 0 HZ1 LYS A 80 19.967 -8.798 -6.326 1.00 2.37 H new ATOM 0 HZ2 LYS A 80 19.126 -8.414 -7.750 1.00 2.37 H new ATOM 0 HZ3 LYS A 80 20.441 -7.459 -7.256 1.00 2.37 H new ATOM 709 N LEU A 81 14.063 -1.382 -6.795 1.00 0.30 N ATOM 710 CA LEU A 81 13.393 -0.379 -7.605 1.00 0.32 C ATOM 711 C LEU A 81 13.887 1.012 -7.222 1.00 0.33 C ATOM 712 O LEU A 81 14.471 1.198 -6.151 1.00 0.35 O ATOM 713 CB LEU A 81 11.875 -0.480 -7.417 1.00 0.35 C ATOM 714 CG LEU A 81 11.246 -1.801 -7.864 1.00 0.47 C ATOM 715 CD1 LEU A 81 9.741 -1.770 -7.658 1.00 1.35 C ATOM 716 CD2 LEU A 81 11.571 -2.086 -9.321 1.00 0.87 C ATOM 0 H LEU A 81 13.648 -1.527 -5.874 1.00 0.30 H new ATOM 0 HA LEU A 81 13.624 -0.555 -8.656 1.00 0.32 H new ATOM 0 HB2 LEU A 81 11.645 -0.326 -6.363 1.00 0.35 H new ATOM 0 HB3 LEU A 81 11.403 0.333 -7.968 1.00 0.35 H new ATOM 0 HG LEU A 81 11.666 -2.601 -7.254 1.00 0.47 H new ATOM 0 HD11 LEU A 81 9.310 -2.718 -7.981 1.00 1.35 H new ATOM 0 HD12 LEU A 81 9.521 -1.613 -6.602 1.00 1.35 H new ATOM 0 HD13 LEU A 81 9.310 -0.957 -8.243 1.00 1.35 H new ATOM 0 HD21 LEU A 81 11.114 -3.030 -9.618 1.00 0.87 H new ATOM 0 HD22 LEU A 81 11.181 -1.282 -9.945 1.00 0.87 H new ATOM 0 HD23 LEU A 81 12.652 -2.151 -9.447 1.00 0.87 H new ATOM 728 N PRO A 82 13.684 2.007 -8.096 1.00 0.34 N ATOM 729 CA PRO A 82 14.097 3.386 -7.827 1.00 0.38 C ATOM 730 C PRO A 82 13.296 4.015 -6.689 1.00 0.35 C ATOM 731 O PRO A 82 12.094 3.777 -6.556 1.00 0.35 O ATOM 732 CB PRO A 82 13.820 4.113 -9.146 1.00 0.41 C ATOM 733 CG PRO A 82 12.794 3.283 -9.835 1.00 0.44 C ATOM 734 CD PRO A 82 13.054 1.866 -9.418 1.00 0.36 C ATOM 0 HA PRO A 82 15.138 3.444 -7.511 1.00 0.38 H new ATOM 0 HB2 PRO A 82 13.456 5.125 -8.970 1.00 0.41 H new ATOM 0 HB3 PRO A 82 14.726 4.200 -9.746 1.00 0.41 H new ATOM 0 HG2 PRO A 82 11.788 3.594 -9.553 1.00 0.44 H new ATOM 0 HG3 PRO A 82 12.869 3.390 -10.917 1.00 0.44 H new ATOM 0 HD2 PRO A 82 12.131 1.288 -9.363 1.00 0.36 H new ATOM 0 HD3 PRO A 82 13.710 1.354 -10.122 1.00 0.36 H new ATOM 742 N ASN A 83 13.973 4.828 -5.884 1.00 0.35 N ATOM 743 CA ASN A 83 13.368 5.476 -4.722 1.00 0.37 C ATOM 744 C ASN A 83 12.142 6.299 -5.112 1.00 0.33 C ATOM 745 O ASN A 83 11.198 6.425 -4.338 1.00 0.34 O ATOM 746 CB ASN A 83 14.407 6.367 -4.035 1.00 0.47 C ATOM 747 CG ASN A 83 13.900 6.989 -2.748 1.00 1.11 C ATOM 748 OD1 ASN A 83 14.046 6.417 -1.673 1.00 1.94 O ATOM 749 ND2 ASN A 83 13.316 8.174 -2.845 1.00 1.73 N ATOM 0 H ASN A 83 14.958 5.057 -6.018 1.00 0.35 H new ATOM 0 HA ASN A 83 13.036 4.700 -4.032 1.00 0.37 H new ATOM 0 HB2 ASN A 83 15.298 5.777 -3.820 1.00 0.47 H new ATOM 0 HB3 ASN A 83 14.708 7.159 -4.721 1.00 0.47 H new ATOM 0 HD21 ASN A 83 12.970 8.642 -2.007 1.00 1.73 H new ATOM 0 HD22 ASN A 83 13.213 8.619 -3.757 1.00 1.73 H new ATOM 756 N THR A 84 12.160 6.846 -6.321 1.00 0.35 N ATOM 757 CA THR A 84 11.055 7.646 -6.824 1.00 0.39 C ATOM 758 C THR A 84 9.759 6.841 -6.865 1.00 0.32 C ATOM 759 O THR A 84 8.746 7.239 -6.285 1.00 0.33 O ATOM 760 CB THR A 84 11.370 8.170 -8.233 1.00 0.48 C ATOM 761 OG1 THR A 84 12.026 7.141 -8.989 1.00 1.02 O ATOM 762 CG2 THR A 84 12.250 9.409 -8.165 1.00 1.04 C ATOM 0 H THR A 84 12.936 6.748 -6.975 1.00 0.35 H new ATOM 0 HA THR A 84 10.923 8.486 -6.142 1.00 0.39 H new ATOM 0 HB THR A 84 10.436 8.444 -8.723 1.00 0.48 H new ATOM 0 HG1 THR A 84 12.226 7.473 -9.889 1.00 1.02 H new ATOM 0 HG21 THR A 84 12.460 9.762 -9.175 1.00 1.04 H new ATOM 0 HG22 THR A 84 11.735 10.191 -7.607 1.00 1.04 H new ATOM 0 HG23 THR A 84 13.187 9.163 -7.665 1.00 1.04 H new ATOM 770 N VAL A 85 9.810 5.699 -7.541 1.00 0.30 N ATOM 771 CA VAL A 85 8.655 4.820 -7.656 1.00 0.28 C ATOM 772 C VAL A 85 8.294 4.245 -6.292 1.00 0.22 C ATOM 773 O VAL A 85 7.121 4.177 -5.933 1.00 0.20 O ATOM 774 CB VAL A 85 8.914 3.669 -8.653 1.00 0.33 C ATOM 775 CG1 VAL A 85 7.689 2.775 -8.781 1.00 0.34 C ATOM 776 CG2 VAL A 85 9.315 4.219 -10.016 1.00 0.41 C ATOM 0 H VAL A 85 10.644 5.360 -8.020 1.00 0.30 H new ATOM 0 HA VAL A 85 7.824 5.416 -8.033 1.00 0.28 H new ATOM 0 HB VAL A 85 9.737 3.067 -8.266 1.00 0.33 H new ATOM 0 HG11 VAL A 85 7.897 1.972 -9.489 1.00 0.34 H new ATOM 0 HG12 VAL A 85 7.447 2.347 -7.808 1.00 0.34 H new ATOM 0 HG13 VAL A 85 6.844 3.364 -9.138 1.00 0.34 H new ATOM 0 HG21 VAL A 85 9.493 3.392 -10.704 1.00 0.41 H new ATOM 0 HG22 VAL A 85 8.514 4.848 -10.404 1.00 0.41 H new ATOM 0 HG23 VAL A 85 10.225 4.810 -9.916 1.00 0.41 H new ATOM 786 N LEU A 86 9.313 3.852 -5.533 1.00 0.24 N ATOM 787 CA LEU A 86 9.110 3.313 -4.191 1.00 0.25 C ATOM 788 C LEU A 86 8.323 4.292 -3.317 1.00 0.21 C ATOM 789 O LEU A 86 7.299 3.926 -2.733 1.00 0.23 O ATOM 790 CB LEU A 86 10.455 2.983 -3.533 1.00 0.33 C ATOM 791 CG LEU A 86 11.279 1.904 -4.236 1.00 0.37 C ATOM 792 CD1 LEU A 86 12.588 1.666 -3.496 1.00 0.44 C ATOM 793 CD2 LEU A 86 10.484 0.612 -4.332 1.00 0.37 C ATOM 0 H LEU A 86 10.289 3.897 -5.825 1.00 0.24 H new ATOM 0 HA LEU A 86 8.530 2.395 -4.285 1.00 0.25 H new ATOM 0 HB2 LEU A 86 11.049 3.895 -3.482 1.00 0.33 H new ATOM 0 HB3 LEU A 86 10.270 2.665 -2.507 1.00 0.33 H new ATOM 0 HG LEU A 86 11.510 2.247 -5.244 1.00 0.37 H new ATOM 0 HD11 LEU A 86 13.162 0.895 -4.010 1.00 0.44 H new ATOM 0 HD12 LEU A 86 13.165 2.591 -3.470 1.00 0.44 H new ATOM 0 HD13 LEU A 86 12.376 1.342 -2.477 1.00 0.44 H new ATOM 0 HD21 LEU A 86 11.083 -0.147 -4.835 1.00 0.37 H new ATOM 0 HD22 LEU A 86 10.228 0.267 -3.330 1.00 0.37 H new ATOM 0 HD23 LEU A 86 9.571 0.788 -4.900 1.00 0.37 H new ATOM 805 N GLY A 87 8.796 5.533 -3.249 1.00 0.21 N ATOM 806 CA GLY A 87 8.120 6.554 -2.464 1.00 0.22 C ATOM 807 C GLY A 87 6.709 6.802 -2.947 1.00 0.21 C ATOM 808 O GLY A 87 5.787 6.988 -2.152 1.00 0.23 O ATOM 0 H GLY A 87 9.639 5.852 -3.726 1.00 0.21 H new ATOM 0 HA2 GLY A 87 8.096 6.249 -1.418 1.00 0.22 H new ATOM 0 HA3 GLY A 87 8.688 7.483 -2.513 1.00 0.22 H new ATOM 812 N LYS A 88 6.538 6.790 -4.259 1.00 0.22 N ATOM 813 CA LYS A 88 5.224 6.976 -4.857 1.00 0.29 C ATOM 814 C LYS A 88 4.273 5.864 -4.412 1.00 0.22 C ATOM 815 O LYS A 88 3.129 6.128 -4.034 1.00 0.24 O ATOM 816 CB LYS A 88 5.347 7.005 -6.381 1.00 0.48 C ATOM 817 CG LYS A 88 4.049 7.324 -7.107 1.00 0.97 C ATOM 818 CD LYS A 88 4.264 7.410 -8.613 1.00 0.80 C ATOM 819 CE LYS A 88 5.172 8.573 -8.989 1.00 1.23 C ATOM 820 NZ LYS A 88 4.590 9.886 -8.610 1.00 1.71 N ATOM 0 H LYS A 88 7.293 6.653 -4.931 1.00 0.22 H new ATOM 0 HA LYS A 88 4.813 7.928 -4.521 1.00 0.29 H new ATOM 0 HB2 LYS A 88 6.097 7.745 -6.659 1.00 0.48 H new ATOM 0 HB3 LYS A 88 5.713 6.037 -6.723 1.00 0.48 H new ATOM 0 HG2 LYS A 88 3.308 6.555 -6.887 1.00 0.97 H new ATOM 0 HG3 LYS A 88 3.647 8.269 -6.740 1.00 0.97 H new ATOM 0 HD2 LYS A 88 4.700 6.478 -8.972 1.00 0.80 H new ATOM 0 HD3 LYS A 88 3.302 7.524 -9.112 1.00 0.80 H new ATOM 0 HE2 LYS A 88 6.138 8.451 -8.499 1.00 1.23 H new ATOM 0 HE3 LYS A 88 5.356 8.556 -10.063 1.00 1.23 H new ATOM 0 HZ1 LYS A 88 5.124 10.649 -9.073 1.00 1.71 H new ATOM 0 HZ2 LYS A 88 3.596 9.926 -8.913 1.00 1.71 H new ATOM 0 HZ3 LYS A 88 4.642 10.004 -7.578 1.00 1.71 H new ATOM 834 N ILE A 89 4.768 4.631 -4.426 1.00 0.20 N ATOM 835 CA ILE A 89 3.968 3.476 -4.042 1.00 0.20 C ATOM 836 C ILE A 89 3.543 3.579 -2.581 1.00 0.19 C ATOM 837 O ILE A 89 2.406 3.261 -2.233 1.00 0.21 O ATOM 838 CB ILE A 89 4.743 2.158 -4.278 1.00 0.23 C ATOM 839 CG1 ILE A 89 4.981 1.950 -5.776 1.00 0.31 C ATOM 840 CG2 ILE A 89 3.993 0.975 -3.688 1.00 0.22 C ATOM 841 CD1 ILE A 89 5.836 0.742 -6.104 1.00 0.40 C ATOM 0 H ILE A 89 5.724 4.406 -4.701 1.00 0.20 H new ATOM 0 HA ILE A 89 3.076 3.466 -4.668 1.00 0.20 H new ATOM 0 HB ILE A 89 5.707 2.230 -3.775 1.00 0.23 H new ATOM 0 HG12 ILE A 89 4.018 1.846 -6.275 1.00 0.31 H new ATOM 0 HG13 ILE A 89 5.458 2.841 -6.185 1.00 0.31 H new ATOM 0 HG21 ILE A 89 4.558 0.060 -3.867 1.00 0.22 H new ATOM 0 HG22 ILE A 89 3.869 1.121 -2.615 1.00 0.22 H new ATOM 0 HG23 ILE A 89 3.013 0.894 -4.159 1.00 0.22 H new ATOM 0 HD11 ILE A 89 5.957 0.665 -7.184 1.00 0.40 H new ATOM 0 HD12 ILE A 89 6.814 0.851 -5.636 1.00 0.40 H new ATOM 0 HD13 ILE A 89 5.352 -0.159 -5.728 1.00 0.40 H new ATOM 853 N TRP A 90 4.454 4.049 -1.736 1.00 0.19 N ATOM 854 CA TRP A 90 4.163 4.248 -0.322 1.00 0.22 C ATOM 855 C TRP A 90 3.023 5.248 -0.151 1.00 0.24 C ATOM 856 O TRP A 90 2.055 4.993 0.565 1.00 0.28 O ATOM 857 CB TRP A 90 5.408 4.754 0.409 1.00 0.25 C ATOM 858 CG TRP A 90 5.192 4.967 1.878 1.00 0.30 C ATOM 859 CD1 TRP A 90 4.785 6.118 2.492 1.00 0.45 C ATOM 860 CD2 TRP A 90 5.369 4.000 2.916 1.00 0.23 C ATOM 861 NE1 TRP A 90 4.709 5.925 3.850 1.00 0.46 N ATOM 862 CE2 TRP A 90 5.057 4.634 4.132 1.00 0.32 C ATOM 863 CE3 TRP A 90 5.764 2.662 2.936 1.00 0.16 C ATOM 864 CZ2 TRP A 90 5.123 3.974 5.348 1.00 0.29 C ATOM 865 CZ3 TRP A 90 5.825 2.008 4.149 1.00 0.18 C ATOM 866 CH2 TRP A 90 5.507 2.667 5.342 1.00 0.19 C ATOM 0 H TRP A 90 5.404 4.300 -2.008 1.00 0.19 H new ATOM 0 HA TRP A 90 3.863 3.292 0.106 1.00 0.22 H new ATOM 0 HB2 TRP A 90 6.218 4.039 0.269 1.00 0.25 H new ATOM 0 HB3 TRP A 90 5.729 5.692 -0.043 1.00 0.25 H new ATOM 0 HD1 TRP A 90 4.557 7.043 1.984 1.00 0.45 H new ATOM 0 HE1 TRP A 90 4.437 6.630 4.535 1.00 0.46 H new ATOM 0 HE3 TRP A 90 6.017 2.149 2.020 1.00 0.16 H new ATOM 0 HZ2 TRP A 90 4.878 4.479 6.271 1.00 0.29 H new ATOM 0 HZ3 TRP A 90 6.123 0.970 4.179 1.00 0.18 H new ATOM 0 HH2 TRP A 90 5.567 2.129 6.276 1.00 0.19 H new ATOM 877 N LYS A 91 3.146 6.375 -0.839 1.00 0.24 N ATOM 878 CA LYS A 91 2.167 7.454 -0.759 1.00 0.30 C ATOM 879 C LYS A 91 0.809 7.043 -1.325 1.00 0.29 C ATOM 880 O LYS A 91 -0.197 7.719 -1.099 1.00 0.36 O ATOM 881 CB LYS A 91 2.698 8.677 -1.500 1.00 0.40 C ATOM 882 CG LYS A 91 3.848 9.367 -0.776 1.00 0.53 C ATOM 883 CD LYS A 91 4.580 10.355 -1.676 1.00 1.04 C ATOM 884 CE LYS A 91 3.638 11.363 -2.315 1.00 1.51 C ATOM 885 NZ LYS A 91 2.912 12.173 -1.304 1.00 2.40 N ATOM 0 H LYS A 91 3.926 6.568 -1.468 1.00 0.24 H new ATOM 0 HA LYS A 91 2.017 7.693 0.294 1.00 0.30 H new ATOM 0 HB2 LYS A 91 3.032 8.375 -2.493 1.00 0.40 H new ATOM 0 HB3 LYS A 91 1.885 9.390 -1.640 1.00 0.40 H new ATOM 0 HG2 LYS A 91 3.463 9.891 0.099 1.00 0.53 H new ATOM 0 HG3 LYS A 91 4.551 8.616 -0.415 1.00 0.53 H new ATOM 0 HD2 LYS A 91 5.333 10.885 -1.093 1.00 1.04 H new ATOM 0 HD3 LYS A 91 5.108 9.809 -2.458 1.00 1.04 H new ATOM 0 HE2 LYS A 91 4.206 12.025 -2.968 1.00 1.51 H new ATOM 0 HE3 LYS A 91 2.918 10.838 -2.942 1.00 1.51 H new ATOM 0 HZ1 LYS A 91 2.347 12.902 -1.784 1.00 2.40 H new ATOM 0 HZ2 LYS A 91 2.284 11.556 -0.751 1.00 2.40 H new ATOM 0 HZ3 LYS A 91 3.597 12.629 -0.668 1.00 2.40 H new ATOM 899 N LEU A 92 0.788 5.955 -2.084 1.00 0.27 N ATOM 900 CA LEU A 92 -0.461 5.412 -2.615 1.00 0.32 C ATOM 901 C LEU A 92 -1.051 4.356 -1.686 1.00 0.30 C ATOM 902 O LEU A 92 -2.253 4.336 -1.428 1.00 0.43 O ATOM 903 CB LEU A 92 -0.218 4.772 -3.974 1.00 0.40 C ATOM 904 CG LEU A 92 0.341 5.700 -5.042 1.00 0.59 C ATOM 905 CD1 LEU A 92 0.897 4.880 -6.187 1.00 0.85 C ATOM 906 CD2 LEU A 92 -0.731 6.660 -5.536 1.00 1.08 C ATOM 0 H LEU A 92 1.621 5.429 -2.347 1.00 0.27 H new ATOM 0 HA LEU A 92 -1.163 6.241 -2.704 1.00 0.32 H new ATOM 0 HB2 LEU A 92 0.471 3.937 -3.845 1.00 0.40 H new ATOM 0 HB3 LEU A 92 -1.159 4.356 -4.334 1.00 0.40 H new ATOM 0 HG LEU A 92 1.146 6.294 -4.609 1.00 0.59 H new ATOM 0 HD11 LEU A 92 1.297 5.546 -6.951 1.00 0.85 H new ATOM 0 HD12 LEU A 92 1.692 4.232 -5.818 1.00 0.85 H new ATOM 0 HD13 LEU A 92 0.103 4.270 -6.617 1.00 0.85 H new ATOM 0 HD21 LEU A 92 -0.310 7.314 -6.299 1.00 1.08 H new ATOM 0 HD22 LEU A 92 -1.559 6.093 -5.961 1.00 1.08 H new ATOM 0 HD23 LEU A 92 -1.093 7.261 -4.702 1.00 1.08 H new ATOM 918 N ALA A 93 -0.188 3.473 -1.201 1.00 0.22 N ATOM 919 CA ALA A 93 -0.614 2.307 -0.440 1.00 0.21 C ATOM 920 C ALA A 93 -0.955 2.660 1.002 1.00 0.19 C ATOM 921 O ALA A 93 -1.771 1.985 1.635 1.00 0.30 O ATOM 922 CB ALA A 93 0.467 1.236 -0.478 1.00 0.23 C ATOM 0 H ALA A 93 0.822 3.544 -1.323 1.00 0.22 H new ATOM 0 HA ALA A 93 -1.522 1.924 -0.905 1.00 0.21 H new ATOM 0 HB1 ALA A 93 0.139 0.368 0.094 1.00 0.23 H new ATOM 0 HB2 ALA A 93 0.651 0.941 -1.511 1.00 0.23 H new ATOM 0 HB3 ALA A 93 1.386 1.631 -0.044 1.00 0.23 H new ATOM 928 N ASP A 94 -0.342 3.711 1.529 1.00 0.18 N ATOM 929 CA ASP A 94 -0.588 4.088 2.922 1.00 0.18 C ATOM 930 C ASP A 94 -1.813 4.990 3.026 1.00 0.33 C ATOM 931 O ASP A 94 -1.713 6.217 3.022 1.00 0.45 O ATOM 932 CB ASP A 94 0.634 4.756 3.565 1.00 0.30 C ATOM 933 CG ASP A 94 0.481 4.912 5.072 1.00 0.25 C ATOM 934 OD1 ASP A 94 0.032 3.946 5.740 1.00 0.30 O ATOM 935 OD2 ASP A 94 0.827 5.984 5.605 1.00 0.31 O ATOM 0 H ASP A 94 0.316 4.309 1.029 1.00 0.18 H new ATOM 0 HA ASP A 94 -0.781 3.169 3.476 1.00 0.18 H new ATOM 0 HB2 ASP A 94 1.524 4.163 3.352 1.00 0.30 H new ATOM 0 HB3 ASP A 94 0.789 5.736 3.114 1.00 0.30 H new ATOM 940 N VAL A 95 -2.969 4.352 3.109 1.00 0.51 N ATOM 941 CA VAL A 95 -4.248 5.047 3.137 1.00 0.71 C ATOM 942 C VAL A 95 -4.514 5.708 4.484 1.00 0.72 C ATOM 943 O VAL A 95 -5.277 6.672 4.569 1.00 0.80 O ATOM 944 CB VAL A 95 -5.415 4.092 2.812 1.00 0.97 C ATOM 945 CG1 VAL A 95 -5.338 3.626 1.366 1.00 1.28 C ATOM 946 CG2 VAL A 95 -5.420 2.899 3.761 1.00 0.95 C ATOM 0 H VAL A 95 -3.048 3.336 3.159 1.00 0.51 H new ATOM 0 HA VAL A 95 -4.187 5.822 2.373 1.00 0.71 H new ATOM 0 HB VAL A 95 -6.349 4.638 2.948 1.00 0.97 H new ATOM 0 HG11 VAL A 95 -6.169 2.953 1.156 1.00 1.28 H new ATOM 0 HG12 VAL A 95 -5.393 4.489 0.702 1.00 1.28 H new ATOM 0 HG13 VAL A 95 -4.397 3.101 1.202 1.00 1.28 H new ATOM 0 HG21 VAL A 95 -6.252 2.240 3.512 1.00 0.95 H new ATOM 0 HG22 VAL A 95 -4.482 2.352 3.663 1.00 0.95 H new ATOM 0 HG23 VAL A 95 -5.530 3.251 4.787 1.00 0.95 H new ATOM 956 N ASP A 96 -3.909 5.183 5.539 1.00 0.70 N ATOM 957 CA ASP A 96 -4.104 5.738 6.873 1.00 0.78 C ATOM 958 C ASP A 96 -3.263 6.979 7.065 1.00 0.75 C ATOM 959 O ASP A 96 -3.469 7.732 8.022 1.00 0.88 O ATOM 960 CB ASP A 96 -3.745 4.726 7.961 1.00 0.96 C ATOM 961 CG ASP A 96 -4.641 3.516 7.966 1.00 0.75 C ATOM 962 OD1 ASP A 96 -4.327 2.549 7.257 1.00 1.12 O ATOM 963 OD2 ASP A 96 -5.665 3.530 8.688 1.00 1.02 O ATOM 0 H ASP A 96 -3.283 4.379 5.500 1.00 0.70 H new ATOM 0 HA ASP A 96 -5.161 5.991 6.960 1.00 0.78 H new ATOM 0 HB2 ASP A 96 -2.713 4.405 7.823 1.00 0.96 H new ATOM 0 HB3 ASP A 96 -3.799 5.214 8.934 1.00 0.96 H new ATOM 968 N LYS A 97 -2.314 7.185 6.149 1.00 0.66 N ATOM 969 CA LYS A 97 -1.403 8.322 6.218 1.00 0.70 C ATOM 970 C LYS A 97 -0.625 8.246 7.527 1.00 0.70 C ATOM 971 O LYS A 97 -0.210 9.260 8.089 1.00 0.86 O ATOM 972 CB LYS A 97 -2.196 9.638 6.127 1.00 0.86 C ATOM 973 CG LYS A 97 -3.416 9.542 5.223 1.00 0.89 C ATOM 974 CD LYS A 97 -4.182 10.849 5.158 1.00 1.15 C ATOM 975 CE LYS A 97 -5.418 10.716 4.283 1.00 1.38 C ATOM 976 NZ LYS A 97 -6.258 11.939 4.322 1.00 1.68 N ATOM 0 H LYS A 97 -2.159 6.573 5.348 1.00 0.66 H new ATOM 0 HA LYS A 97 -0.704 8.294 5.382 1.00 0.70 H new ATOM 0 HB2 LYS A 97 -2.515 9.932 7.127 1.00 0.86 H new ATOM 0 HB3 LYS A 97 -1.539 10.426 5.757 1.00 0.86 H new ATOM 0 HG2 LYS A 97 -3.101 9.256 4.219 1.00 0.89 H new ATOM 0 HG3 LYS A 97 -4.075 8.754 5.587 1.00 0.89 H new ATOM 0 HD2 LYS A 97 -4.475 11.153 6.163 1.00 1.15 H new ATOM 0 HD3 LYS A 97 -3.536 11.633 4.764 1.00 1.15 H new ATOM 0 HE2 LYS A 97 -5.115 10.516 3.255 1.00 1.38 H new ATOM 0 HE3 LYS A 97 -6.007 9.860 4.614 1.00 1.38 H new ATOM 0 HZ1 LYS A 97 -7.091 11.808 3.713 1.00 1.68 H new ATOM 0 HZ2 LYS A 97 -6.568 12.116 5.299 1.00 1.68 H new ATOM 0 HZ3 LYS A 97 -5.705 12.751 3.982 1.00 1.68 H new ATOM 990 N ASP A 98 -0.419 7.015 7.992 1.00 0.56 N ATOM 991 CA ASP A 98 0.128 6.773 9.315 1.00 0.59 C ATOM 992 C ASP A 98 1.578 6.317 9.239 1.00 0.45 C ATOM 993 O ASP A 98 2.161 5.920 10.247 1.00 0.46 O ATOM 994 CB ASP A 98 -0.730 5.730 10.064 1.00 0.67 C ATOM 995 CG ASP A 98 -0.725 4.335 9.436 1.00 0.62 C ATOM 996 OD1 ASP A 98 -0.835 4.210 8.187 1.00 0.58 O ATOM 997 OD2 ASP A 98 -0.659 3.348 10.191 1.00 0.71 O ATOM 0 H ASP A 98 -0.626 6.168 7.463 1.00 0.56 H new ATOM 0 HA ASP A 98 0.104 7.712 9.868 1.00 0.59 H new ATOM 0 HB2 ASP A 98 -0.372 5.654 11.091 1.00 0.67 H new ATOM 0 HB3 ASP A 98 -1.758 6.090 10.111 1.00 0.67 H new ATOM 1002 N GLY A 99 2.160 6.398 8.044 1.00 0.39 N ATOM 1003 CA GLY A 99 3.576 6.118 7.873 1.00 0.38 C ATOM 1004 C GLY A 99 3.922 4.698 8.176 1.00 0.29 C ATOM 1005 O GLY A 99 5.076 4.358 8.446 1.00 0.39 O ATOM 0 H GLY A 99 1.672 6.654 7.186 1.00 0.39 H new ATOM 0 HA2 GLY A 99 3.867 6.348 6.848 1.00 0.38 H new ATOM 0 HA3 GLY A 99 4.153 6.775 8.523 1.00 0.38 H new ATOM 1009 N LEU A 100 2.918 3.878 8.121 1.00 0.28 N ATOM 1010 CA LEU A 100 3.031 2.524 8.517 1.00 0.33 C ATOM 1011 C LEU A 100 1.937 1.724 7.812 1.00 0.29 C ATOM 1012 O LEU A 100 0.832 2.230 7.610 1.00 0.39 O ATOM 1013 CB LEU A 100 2.943 2.554 10.038 1.00 0.53 C ATOM 1014 CG LEU A 100 1.802 1.822 10.696 1.00 0.59 C ATOM 1015 CD1 LEU A 100 1.984 0.334 10.545 1.00 1.37 C ATOM 1016 CD2 LEU A 100 1.721 2.213 12.164 1.00 1.11 C ATOM 0 H LEU A 100 1.988 4.142 7.794 1.00 0.28 H new ATOM 0 HA LEU A 100 3.962 2.030 8.237 1.00 0.33 H new ATOM 0 HB2 LEU A 100 3.873 2.147 10.434 1.00 0.53 H new ATOM 0 HB3 LEU A 100 2.894 3.598 10.349 1.00 0.53 H new ATOM 0 HG LEU A 100 0.866 2.100 10.210 1.00 0.59 H new ATOM 0 HD11 LEU A 100 1.154 -0.185 11.024 1.00 1.37 H new ATOM 0 HD12 LEU A 100 2.010 0.076 9.486 1.00 1.37 H new ATOM 0 HD13 LEU A 100 2.920 0.032 11.015 1.00 1.37 H new ATOM 0 HD21 LEU A 100 0.895 1.682 12.637 1.00 1.11 H new ATOM 0 HD22 LEU A 100 2.654 1.950 12.663 1.00 1.11 H new ATOM 0 HD23 LEU A 100 1.556 3.287 12.246 1.00 1.11 H new ATOM 1028 N LEU A 101 2.245 0.499 7.413 1.00 0.28 N ATOM 1029 CA LEU A 101 1.335 -0.267 6.570 1.00 0.27 C ATOM 1030 C LEU A 101 0.608 -1.353 7.356 1.00 0.27 C ATOM 1031 O LEU A 101 1.230 -2.163 8.039 1.00 0.31 O ATOM 1032 CB LEU A 101 2.097 -0.900 5.403 1.00 0.29 C ATOM 1033 CG LEU A 101 2.803 0.082 4.461 1.00 0.30 C ATOM 1034 CD1 LEU A 101 3.526 -0.676 3.361 1.00 0.34 C ATOM 1035 CD2 LEU A 101 1.810 1.068 3.857 1.00 0.34 C ATOM 0 H LEU A 101 3.110 0.016 7.656 1.00 0.28 H new ATOM 0 HA LEU A 101 0.588 0.428 6.186 1.00 0.27 H new ATOM 0 HB2 LEU A 101 2.841 -1.586 5.808 1.00 0.29 H new ATOM 0 HB3 LEU A 101 1.398 -1.498 4.818 1.00 0.29 H new ATOM 0 HG LEU A 101 3.532 0.647 5.041 1.00 0.30 H new ATOM 0 HD11 LEU A 101 4.024 0.032 2.698 1.00 0.34 H new ATOM 0 HD12 LEU A 101 4.267 -1.341 3.804 1.00 0.34 H new ATOM 0 HD13 LEU A 101 2.807 -1.263 2.790 1.00 0.34 H new ATOM 0 HD21 LEU A 101 2.336 1.754 3.193 1.00 0.34 H new ATOM 0 HD22 LEU A 101 1.054 0.523 3.291 1.00 0.34 H new ATOM 0 HD23 LEU A 101 1.328 1.634 4.654 1.00 0.34 H new ATOM 1047 N ASP A 102 -0.716 -1.347 7.266 1.00 0.28 N ATOM 1048 CA ASP A 102 -1.524 -2.431 7.801 1.00 0.33 C ATOM 1049 C ASP A 102 -1.480 -3.617 6.858 1.00 0.26 C ATOM 1050 O ASP A 102 -0.790 -3.589 5.840 1.00 0.24 O ATOM 1051 CB ASP A 102 -2.982 -1.992 7.992 1.00 0.44 C ATOM 1052 CG ASP A 102 -3.146 -0.964 9.085 1.00 0.82 C ATOM 1053 OD1 ASP A 102 -2.612 0.158 8.940 1.00 1.06 O ATOM 1054 OD2 ASP A 102 -3.822 -1.266 10.084 1.00 1.39 O ATOM 0 H ASP A 102 -1.253 -0.600 6.826 1.00 0.28 H new ATOM 0 HA ASP A 102 -1.114 -2.710 8.772 1.00 0.33 H new ATOM 0 HB2 ASP A 102 -3.359 -1.582 7.055 1.00 0.44 H new ATOM 0 HB3 ASP A 102 -3.592 -2.865 8.226 1.00 0.44 H new ATOM 1059 N ASP A 103 -2.230 -4.649 7.198 1.00 0.32 N ATOM 1060 CA ASP A 103 -2.343 -5.836 6.356 1.00 0.35 C ATOM 1061 C ASP A 103 -2.853 -5.457 4.966 1.00 0.26 C ATOM 1062 O ASP A 103 -2.327 -5.905 3.943 1.00 0.24 O ATOM 1063 CB ASP A 103 -3.291 -6.838 7.033 1.00 0.56 C ATOM 1064 CG ASP A 103 -3.604 -8.063 6.189 1.00 0.77 C ATOM 1065 OD1 ASP A 103 -2.734 -8.514 5.423 1.00 1.17 O ATOM 1066 OD2 ASP A 103 -4.730 -8.594 6.309 1.00 1.69 O ATOM 0 H ASP A 103 -2.776 -4.693 8.058 1.00 0.32 H new ATOM 0 HA ASP A 103 -1.362 -6.296 6.235 1.00 0.35 H new ATOM 0 HB2 ASP A 103 -2.848 -7.162 7.975 1.00 0.56 H new ATOM 0 HB3 ASP A 103 -4.224 -6.331 7.278 1.00 0.56 H new ATOM 1071 N GLU A 104 -3.844 -4.579 4.942 1.00 0.26 N ATOM 1072 CA GLU A 104 -4.463 -4.154 3.695 1.00 0.25 C ATOM 1073 C GLU A 104 -3.530 -3.226 2.913 1.00 0.22 C ATOM 1074 O GLU A 104 -3.367 -3.370 1.696 1.00 0.29 O ATOM 1075 CB GLU A 104 -5.784 -3.441 3.989 1.00 0.32 C ATOM 1076 CG GLU A 104 -6.610 -4.144 5.055 1.00 0.32 C ATOM 1077 CD GLU A 104 -7.978 -3.520 5.263 1.00 1.28 C ATOM 1078 OE1 GLU A 104 -8.037 -2.392 5.788 1.00 2.29 O ATOM 1079 OE2 GLU A 104 -8.994 -4.144 4.897 1.00 1.38 O ATOM 0 H GLU A 104 -4.239 -4.145 5.776 1.00 0.26 H new ATOM 0 HA GLU A 104 -4.657 -5.037 3.086 1.00 0.25 H new ATOM 0 HB2 GLU A 104 -5.577 -2.421 4.311 1.00 0.32 H new ATOM 0 HB3 GLU A 104 -6.367 -3.373 3.071 1.00 0.32 H new ATOM 0 HG2 GLU A 104 -6.734 -5.191 4.777 1.00 0.32 H new ATOM 0 HG3 GLU A 104 -6.064 -4.127 5.998 1.00 0.32 H new ATOM 1086 N GLU A 105 -2.910 -2.284 3.621 1.00 0.18 N ATOM 1087 CA GLU A 105 -2.001 -1.327 2.994 1.00 0.18 C ATOM 1088 C GLU A 105 -0.793 -2.040 2.396 1.00 0.17 C ATOM 1089 O GLU A 105 -0.359 -1.729 1.285 1.00 0.17 O ATOM 1090 CB GLU A 105 -1.510 -0.290 4.004 1.00 0.20 C ATOM 1091 CG GLU A 105 -2.607 0.523 4.674 1.00 0.24 C ATOM 1092 CD GLU A 105 -2.033 1.605 5.567 1.00 0.31 C ATOM 1093 OE1 GLU A 105 -1.276 1.286 6.493 1.00 0.34 O ATOM 1094 OE2 GLU A 105 -2.298 2.798 5.361 1.00 0.39 O ATOM 0 H GLU A 105 -3.020 -2.163 4.628 1.00 0.18 H new ATOM 0 HA GLU A 105 -2.558 -0.824 2.203 1.00 0.18 H new ATOM 0 HB2 GLU A 105 -0.934 -0.801 4.776 1.00 0.20 H new ATOM 0 HB3 GLU A 105 -0.829 0.394 3.498 1.00 0.20 H new ATOM 0 HG2 GLU A 105 -3.241 0.977 3.912 1.00 0.24 H new ATOM 0 HG3 GLU A 105 -3.242 -0.138 5.264 1.00 0.24 H new ATOM 1101 N PHE A 106 -0.254 -2.997 3.141 1.00 0.17 N ATOM 1102 CA PHE A 106 0.912 -3.745 2.699 1.00 0.18 C ATOM 1103 C PHE A 106 0.563 -4.584 1.477 1.00 0.18 C ATOM 1104 O PHE A 106 1.380 -4.746 0.566 1.00 0.21 O ATOM 1105 CB PHE A 106 1.434 -4.636 3.826 1.00 0.21 C ATOM 1106 CG PHE A 106 2.726 -5.328 3.501 1.00 0.22 C ATOM 1107 CD1 PHE A 106 3.867 -4.594 3.225 1.00 0.25 C ATOM 1108 CD2 PHE A 106 2.799 -6.712 3.465 1.00 0.25 C ATOM 1109 CE1 PHE A 106 5.058 -5.224 2.931 1.00 0.28 C ATOM 1110 CE2 PHE A 106 3.990 -7.347 3.170 1.00 0.29 C ATOM 1111 CZ PHE A 106 5.118 -6.601 2.897 1.00 0.29 C ATOM 0 H PHE A 106 -0.609 -3.273 4.057 1.00 0.17 H new ATOM 0 HA PHE A 106 1.697 -3.040 2.427 1.00 0.18 H new ATOM 0 HB2 PHE A 106 1.572 -4.030 4.721 1.00 0.21 H new ATOM 0 HB3 PHE A 106 0.680 -5.387 4.062 1.00 0.21 H new ATOM 0 HD1 PHE A 106 3.824 -3.515 3.240 1.00 0.25 H new ATOM 0 HD2 PHE A 106 1.916 -7.300 3.670 1.00 0.25 H new ATOM 0 HE1 PHE A 106 5.943 -4.639 2.728 1.00 0.28 H new ATOM 0 HE2 PHE A 106 4.038 -8.426 3.153 1.00 0.29 H new ATOM 0 HZ PHE A 106 6.048 -7.095 2.657 1.00 0.29 H new ATOM 1121 N ALA A 107 -0.662 -5.101 1.457 1.00 0.19 N ATOM 1122 CA ALA A 107 -1.163 -5.831 0.305 1.00 0.24 C ATOM 1123 C ALA A 107 -1.132 -4.945 -0.939 1.00 0.23 C ATOM 1124 O ALA A 107 -0.688 -5.372 -2.006 1.00 0.25 O ATOM 1125 CB ALA A 107 -2.571 -6.333 0.570 1.00 0.34 C ATOM 0 H ALA A 107 -1.325 -5.026 2.229 1.00 0.19 H new ATOM 0 HA ALA A 107 -0.519 -6.692 0.130 1.00 0.24 H new ATOM 0 HB1 ALA A 107 -2.933 -6.878 -0.302 1.00 0.34 H new ATOM 0 HB2 ALA A 107 -2.564 -6.996 1.435 1.00 0.34 H new ATOM 0 HB3 ALA A 107 -3.228 -5.486 0.767 1.00 0.34 H new ATOM 1131 N LEU A 108 -1.599 -3.708 -0.790 1.00 0.24 N ATOM 1132 CA LEU A 108 -1.568 -2.740 -1.879 1.00 0.28 C ATOM 1133 C LEU A 108 -0.132 -2.446 -2.303 1.00 0.23 C ATOM 1134 O LEU A 108 0.177 -2.433 -3.498 1.00 0.23 O ATOM 1135 CB LEU A 108 -2.273 -1.445 -1.466 1.00 0.38 C ATOM 1136 CG LEU A 108 -3.788 -1.555 -1.267 1.00 0.93 C ATOM 1137 CD1 LEU A 108 -4.369 -0.216 -0.845 1.00 1.74 C ATOM 1138 CD2 LEU A 108 -4.460 -2.043 -2.542 1.00 1.31 C ATOM 0 H LEU A 108 -2.004 -3.353 0.077 1.00 0.24 H new ATOM 0 HA LEU A 108 -2.097 -3.171 -2.729 1.00 0.28 H new ATOM 0 HB2 LEU A 108 -1.827 -1.089 -0.537 1.00 0.38 H new ATOM 0 HB3 LEU A 108 -2.078 -0.687 -2.225 1.00 0.38 H new ATOM 0 HG LEU A 108 -3.977 -2.280 -0.476 1.00 0.93 H new ATOM 0 HD11 LEU A 108 -5.446 -0.314 -0.708 1.00 1.74 H new ATOM 0 HD12 LEU A 108 -3.911 0.100 0.093 1.00 1.74 H new ATOM 0 HD13 LEU A 108 -4.167 0.528 -1.616 1.00 1.74 H new ATOM 0 HD21 LEU A 108 -5.536 -2.115 -2.382 1.00 1.31 H new ATOM 0 HD22 LEU A 108 -4.260 -1.340 -3.351 1.00 1.31 H new ATOM 0 HD23 LEU A 108 -4.066 -3.024 -2.808 1.00 1.31 H new ATOM 1150 N ALA A 109 0.741 -2.224 -1.323 1.00 0.23 N ATOM 1151 CA ALA A 109 2.157 -1.971 -1.587 1.00 0.24 C ATOM 1152 C ALA A 109 2.757 -3.074 -2.445 1.00 0.23 C ATOM 1153 O ALA A 109 3.257 -2.823 -3.541 1.00 0.24 O ATOM 1154 CB ALA A 109 2.936 -1.848 -0.285 1.00 0.27 C ATOM 0 H ALA A 109 0.492 -2.214 -0.334 1.00 0.23 H new ATOM 0 HA ALA A 109 2.228 -1.029 -2.131 1.00 0.24 H new ATOM 0 HB1 ALA A 109 3.987 -1.660 -0.506 1.00 0.27 H new ATOM 0 HB2 ALA A 109 2.535 -1.022 0.302 1.00 0.27 H new ATOM 0 HB3 ALA A 109 2.845 -2.774 0.283 1.00 0.27 H new ATOM 1160 N ASN A 110 2.672 -4.299 -1.947 1.00 0.24 N ATOM 1161 CA ASN A 110 3.256 -5.452 -2.624 1.00 0.26 C ATOM 1162 C ASN A 110 2.667 -5.642 -4.013 1.00 0.25 C ATOM 1163 O ASN A 110 3.358 -6.067 -4.937 1.00 0.26 O ATOM 1164 CB ASN A 110 3.042 -6.715 -1.794 1.00 0.28 C ATOM 1165 CG ASN A 110 4.074 -6.890 -0.698 1.00 0.31 C ATOM 1166 OD1 ASN A 110 4.353 -8.006 -0.275 1.00 0.70 O ATOM 1167 ND2 ASN A 110 4.657 -5.794 -0.240 1.00 0.55 N ATOM 0 H ASN A 110 2.201 -4.523 -1.070 1.00 0.24 H new ATOM 0 HA ASN A 110 4.324 -5.265 -2.733 1.00 0.26 H new ATOM 0 HB2 ASN A 110 2.048 -6.685 -1.347 1.00 0.28 H new ATOM 0 HB3 ASN A 110 3.069 -7.584 -2.452 1.00 0.28 H new ATOM 0 HD21 ASN A 110 5.366 -5.861 0.491 1.00 0.55 H new ATOM 0 HD22 ASN A 110 4.398 -4.883 -0.618 1.00 0.55 H new ATOM 1174 N HIS A 111 1.393 -5.318 -4.165 1.00 0.24 N ATOM 1175 CA HIS A 111 0.732 -5.469 -5.447 1.00 0.26 C ATOM 1176 C HIS A 111 1.272 -4.452 -6.443 1.00 0.24 C ATOM 1177 O HIS A 111 1.601 -4.808 -7.565 1.00 0.27 O ATOM 1178 CB HIS A 111 -0.782 -5.323 -5.301 1.00 0.28 C ATOM 1179 CG HIS A 111 -1.553 -5.876 -6.463 1.00 0.44 C ATOM 1180 ND1 HIS A 111 -1.966 -7.190 -6.535 1.00 0.62 N ATOM 1181 CD2 HIS A 111 -1.986 -5.288 -7.605 1.00 0.61 C ATOM 1182 CE1 HIS A 111 -2.617 -7.385 -7.666 1.00 0.75 C ATOM 1183 NE2 HIS A 111 -2.644 -6.248 -8.334 1.00 0.73 N ATOM 0 H HIS A 111 0.801 -4.951 -3.420 1.00 0.24 H new ATOM 0 HA HIS A 111 0.940 -6.471 -5.823 1.00 0.26 H new ATOM 0 HB2 HIS A 111 -1.101 -5.829 -4.390 1.00 0.28 H new ATOM 0 HB3 HIS A 111 -1.027 -4.268 -5.182 1.00 0.28 H new ATOM 0 HD2 HIS A 111 -1.841 -4.256 -7.889 1.00 0.61 H new ATOM 0 HE1 HIS A 111 -3.054 -8.318 -7.990 1.00 0.75 H new ATOM 0 HE2 HIS A 111 -3.082 -6.105 -9.244 1.00 0.73 H new ATOM 1192 N LEU A 112 1.375 -3.195 -6.019 1.00 0.24 N ATOM 1193 CA LEU A 112 1.891 -2.131 -6.883 1.00 0.23 C ATOM 1194 C LEU A 112 3.332 -2.417 -7.283 1.00 0.24 C ATOM 1195 O LEU A 112 3.692 -2.338 -8.463 1.00 0.27 O ATOM 1196 CB LEU A 112 1.804 -0.774 -6.177 1.00 0.23 C ATOM 1197 CG LEU A 112 0.386 -0.295 -5.868 1.00 0.20 C ATOM 1198 CD1 LEU A 112 0.423 1.021 -5.117 1.00 0.23 C ATOM 1199 CD2 LEU A 112 -0.432 -0.153 -7.144 1.00 0.22 C ATOM 0 H LEU A 112 1.109 -2.886 -5.084 1.00 0.24 H new ATOM 0 HA LEU A 112 1.277 -2.098 -7.783 1.00 0.23 H new ATOM 0 HB2 LEU A 112 2.363 -0.831 -5.243 1.00 0.23 H new ATOM 0 HB3 LEU A 112 2.296 -0.026 -6.798 1.00 0.23 H new ATOM 0 HG LEU A 112 -0.094 -1.044 -5.238 1.00 0.20 H new ATOM 0 HD11 LEU A 112 -0.595 1.348 -4.905 1.00 0.23 H new ATOM 0 HD12 LEU A 112 0.965 0.890 -4.180 1.00 0.23 H new ATOM 0 HD13 LEU A 112 0.926 1.773 -5.725 1.00 0.23 H new ATOM 0 HD21 LEU A 112 -1.437 0.189 -6.896 1.00 0.22 H new ATOM 0 HD22 LEU A 112 0.046 0.572 -7.804 1.00 0.22 H new ATOM 0 HD23 LEU A 112 -0.491 -1.118 -7.647 1.00 0.22 H new ATOM 1211 N ILE A 113 4.142 -2.768 -6.290 1.00 0.28 N ATOM 1212 CA ILE A 113 5.548 -3.086 -6.508 1.00 0.32 C ATOM 1213 C ILE A 113 5.704 -4.229 -7.504 1.00 0.35 C ATOM 1214 O ILE A 113 6.427 -4.108 -8.496 1.00 0.38 O ATOM 1215 CB ILE A 113 6.250 -3.475 -5.186 1.00 0.37 C ATOM 1216 CG1 ILE A 113 6.215 -2.309 -4.196 1.00 0.37 C ATOM 1217 CG2 ILE A 113 7.688 -3.903 -5.450 1.00 0.46 C ATOM 1218 CD1 ILE A 113 6.742 -2.665 -2.822 1.00 0.43 C ATOM 0 H ILE A 113 3.845 -2.840 -5.317 1.00 0.28 H new ATOM 0 HA ILE A 113 6.016 -2.188 -6.910 1.00 0.32 H new ATOM 0 HB ILE A 113 5.713 -4.317 -4.748 1.00 0.37 H new ATOM 0 HG12 ILE A 113 6.802 -1.484 -4.599 1.00 0.37 H new ATOM 0 HG13 ILE A 113 5.189 -1.954 -4.102 1.00 0.37 H new ATOM 0 HG21 ILE A 113 8.166 -4.173 -4.508 1.00 0.46 H new ATOM 0 HG22 ILE A 113 7.695 -4.763 -6.120 1.00 0.46 H new ATOM 0 HG23 ILE A 113 8.234 -3.080 -5.911 1.00 0.46 H new ATOM 0 HD11 ILE A 113 6.687 -1.791 -2.173 1.00 0.43 H new ATOM 0 HD12 ILE A 113 6.140 -3.469 -2.399 1.00 0.43 H new ATOM 0 HD13 ILE A 113 7.779 -2.992 -2.903 1.00 0.43 H new ATOM 1230 N LYS A 114 5.008 -5.333 -7.249 1.00 0.38 N ATOM 1231 CA LYS A 114 5.145 -6.515 -8.085 1.00 0.46 C ATOM 1232 C LYS A 114 4.558 -6.258 -9.471 1.00 0.45 C ATOM 1233 O LYS A 114 5.037 -6.810 -10.448 1.00 0.49 O ATOM 1234 CB LYS A 114 4.505 -7.744 -7.410 1.00 0.57 C ATOM 1235 CG LYS A 114 3.028 -7.965 -7.720 1.00 0.71 C ATOM 1236 CD LYS A 114 2.839 -8.990 -8.833 1.00 0.79 C ATOM 1237 CE LYS A 114 3.421 -10.344 -8.446 1.00 1.39 C ATOM 1238 NZ LYS A 114 3.379 -11.321 -9.567 1.00 1.81 N ATOM 0 H LYS A 114 4.349 -5.431 -6.476 1.00 0.38 H new ATOM 0 HA LYS A 114 6.206 -6.733 -8.210 1.00 0.46 H new ATOM 0 HB2 LYS A 114 5.059 -8.633 -7.712 1.00 0.57 H new ATOM 0 HB3 LYS A 114 4.622 -7.647 -6.331 1.00 0.57 H new ATOM 0 HG2 LYS A 114 2.513 -8.303 -6.821 1.00 0.71 H new ATOM 0 HG3 LYS A 114 2.571 -7.020 -8.013 1.00 0.71 H new ATOM 0 HD2 LYS A 114 1.777 -9.098 -9.054 1.00 0.79 H new ATOM 0 HD3 LYS A 114 3.319 -8.633 -9.744 1.00 0.79 H new ATOM 0 HE2 LYS A 114 4.453 -10.213 -8.120 1.00 1.39 H new ATOM 0 HE3 LYS A 114 2.867 -10.745 -7.597 1.00 1.39 H new ATOM 0 HZ1 LYS A 114 3.457 -12.287 -9.189 1.00 1.81 H new ATOM 0 HZ2 LYS A 114 2.480 -11.222 -10.080 1.00 1.81 H new ATOM 0 HZ3 LYS A 114 4.171 -11.138 -10.216 1.00 1.81 H new ATOM 1252 N VAL A 115 3.538 -5.400 -9.554 1.00 0.43 N ATOM 1253 CA VAL A 115 2.960 -5.021 -10.841 1.00 0.46 C ATOM 1254 C VAL A 115 4.007 -4.333 -11.711 1.00 0.43 C ATOM 1255 O VAL A 115 4.127 -4.625 -12.905 1.00 0.48 O ATOM 1256 CB VAL A 115 1.718 -4.108 -10.655 1.00 0.50 C ATOM 1257 CG1 VAL A 115 1.458 -3.241 -11.878 1.00 0.91 C ATOM 1258 CG2 VAL A 115 0.490 -4.949 -10.360 1.00 0.76 C ATOM 0 H VAL A 115 3.098 -4.957 -8.747 1.00 0.43 H new ATOM 0 HA VAL A 115 2.631 -5.931 -11.343 1.00 0.46 H new ATOM 0 HB VAL A 115 1.926 -3.447 -9.813 1.00 0.50 H new ATOM 0 HG11 VAL A 115 0.580 -2.619 -11.703 1.00 0.91 H new ATOM 0 HG12 VAL A 115 2.323 -2.604 -12.063 1.00 0.91 H new ATOM 0 HG13 VAL A 115 1.284 -3.878 -12.745 1.00 0.91 H new ATOM 0 HG21 VAL A 115 -0.375 -4.298 -10.231 1.00 0.76 H new ATOM 0 HG22 VAL A 115 0.309 -5.633 -11.190 1.00 0.76 H new ATOM 0 HG23 VAL A 115 0.652 -5.522 -9.447 1.00 0.76 H new ATOM 1268 N LYS A 116 4.775 -3.430 -11.110 1.00 0.40 N ATOM 1269 CA LYS A 116 5.884 -2.799 -11.811 1.00 0.41 C ATOM 1270 C LYS A 116 6.936 -3.831 -12.204 1.00 0.47 C ATOM 1271 O LYS A 116 7.514 -3.750 -13.286 1.00 0.54 O ATOM 1272 CB LYS A 116 6.518 -1.698 -10.956 1.00 0.39 C ATOM 1273 CG LYS A 116 5.682 -0.429 -10.880 1.00 0.88 C ATOM 1274 CD LYS A 116 5.424 0.143 -12.267 1.00 0.77 C ATOM 1275 CE LYS A 116 6.721 0.520 -12.967 1.00 0.85 C ATOM 1276 NZ LYS A 116 6.523 0.751 -14.421 1.00 1.06 N ATOM 0 H LYS A 116 4.650 -3.121 -10.146 1.00 0.40 H new ATOM 0 HA LYS A 116 5.487 -2.345 -12.719 1.00 0.41 H new ATOM 0 HB2 LYS A 116 6.677 -2.079 -9.947 1.00 0.39 H new ATOM 0 HB3 LYS A 116 7.499 -1.453 -11.363 1.00 0.39 H new ATOM 0 HG2 LYS A 116 4.732 -0.645 -10.390 1.00 0.88 H new ATOM 0 HG3 LYS A 116 6.196 0.312 -10.268 1.00 0.88 H new ATOM 0 HD2 LYS A 116 4.885 -0.589 -12.868 1.00 0.77 H new ATOM 0 HD3 LYS A 116 4.785 1.022 -12.186 1.00 0.77 H new ATOM 0 HE2 LYS A 116 7.131 1.420 -12.510 1.00 0.85 H new ATOM 0 HE3 LYS A 116 7.454 -0.273 -12.823 1.00 0.85 H new ATOM 0 HZ1 LYS A 116 7.448 0.855 -14.885 1.00 1.06 H new ATOM 0 HZ2 LYS A 116 6.016 -0.057 -14.835 1.00 1.06 H new ATOM 0 HZ3 LYS A 116 5.966 1.618 -14.562 1.00 1.06 H new ATOM 1290 N LEU A 117 7.164 -4.808 -11.335 1.00 0.47 N ATOM 1291 CA LEU A 117 8.145 -5.857 -11.595 1.00 0.57 C ATOM 1292 C LEU A 117 7.666 -6.793 -12.709 1.00 0.64 C ATOM 1293 O LEU A 117 8.473 -7.346 -13.453 1.00 0.75 O ATOM 1294 CB LEU A 117 8.425 -6.649 -10.315 1.00 0.59 C ATOM 1295 CG LEU A 117 9.572 -7.658 -10.407 1.00 0.86 C ATOM 1296 CD1 LEU A 117 10.881 -6.956 -10.738 1.00 1.48 C ATOM 1297 CD2 LEU A 117 9.699 -8.443 -9.111 1.00 1.59 C ATOM 0 H LEU A 117 6.682 -4.897 -10.441 1.00 0.47 H new ATOM 0 HA LEU A 117 9.070 -5.385 -11.926 1.00 0.57 H new ATOM 0 HB2 LEU A 117 8.646 -5.945 -9.513 1.00 0.59 H new ATOM 0 HB3 LEU A 117 7.517 -7.181 -10.031 1.00 0.59 H new ATOM 0 HG LEU A 117 9.347 -8.358 -11.212 1.00 0.86 H new ATOM 0 HD11 LEU A 117 11.683 -7.692 -10.799 1.00 1.48 H new ATOM 0 HD12 LEU A 117 10.787 -6.442 -11.695 1.00 1.48 H new ATOM 0 HD13 LEU A 117 11.112 -6.231 -9.958 1.00 1.48 H new ATOM 0 HD21 LEU A 117 10.520 -9.155 -9.196 1.00 1.59 H new ATOM 0 HD22 LEU A 117 9.898 -7.757 -8.288 1.00 1.59 H new ATOM 0 HD23 LEU A 117 8.771 -8.981 -8.919 1.00 1.59 H new ATOM 1309 N GLU A 118 6.352 -6.961 -12.822 1.00 0.61 N ATOM 1310 CA GLU A 118 5.774 -7.762 -13.897 1.00 0.69 C ATOM 1311 C GLU A 118 6.027 -7.097 -15.243 1.00 0.70 C ATOM 1312 O GLU A 118 6.082 -7.764 -16.278 1.00 0.85 O ATOM 1313 CB GLU A 118 4.263 -7.907 -13.720 1.00 0.70 C ATOM 1314 CG GLU A 118 3.830 -8.580 -12.433 1.00 0.80 C ATOM 1315 CD GLU A 118 4.016 -10.078 -12.459 1.00 1.36 C ATOM 1316 OE1 GLU A 118 3.324 -10.754 -13.248 1.00 1.71 O ATOM 1317 OE2 GLU A 118 4.875 -10.580 -11.712 1.00 2.05 O ATOM 0 H GLU A 118 5.668 -6.554 -12.184 1.00 0.61 H new ATOM 0 HA GLU A 118 6.245 -8.745 -13.862 1.00 0.69 H new ATOM 0 HB2 GLU A 118 3.811 -6.916 -13.764 1.00 0.70 H new ATOM 0 HB3 GLU A 118 3.867 -8.476 -14.561 1.00 0.70 H new ATOM 0 HG2 GLU A 118 4.399 -8.163 -11.602 1.00 0.80 H new ATOM 0 HG3 GLU A 118 2.780 -8.353 -12.246 1.00 0.80 H new ATOM 1324 N GLY A 119 6.184 -5.779 -15.220 1.00 0.60 N ATOM 1325 CA GLY A 119 6.323 -5.025 -16.447 1.00 0.62 C ATOM 1326 C GLY A 119 5.072 -4.231 -16.778 1.00 0.65 C ATOM 1327 O GLY A 119 4.841 -3.868 -17.932 1.00 0.68 O ATOM 0 H GLY A 119 6.217 -5.219 -14.368 1.00 0.60 H new ATOM 0 HA2 GLY A 119 7.170 -4.345 -16.359 1.00 0.62 H new ATOM 0 HA3 GLY A 119 6.546 -5.707 -17.267 1.00 0.62 H new ATOM 1331 N HIS A 120 4.258 -3.966 -15.761 1.00 0.70 N ATOM 1332 CA HIS A 120 3.033 -3.191 -15.940 1.00 0.78 C ATOM 1333 C HIS A 120 3.210 -1.785 -15.393 1.00 0.75 C ATOM 1334 O HIS A 120 4.161 -1.507 -14.663 1.00 0.92 O ATOM 1335 CB HIS A 120 1.845 -3.853 -15.229 1.00 0.80 C ATOM 1336 CG HIS A 120 1.458 -5.185 -15.784 1.00 0.90 C ATOM 1337 ND1 HIS A 120 1.767 -6.434 -15.374 1.00 1.08 N flip ATOM 1338 CD2 HIS A 120 0.642 -5.330 -16.882 1.00 0.97 C flip ATOM 1339 CE1 HIS A 120 1.140 -7.308 -16.228 1.00 1.16 C flip ATOM 1340 NE2 HIS A 120 0.465 -6.615 -17.129 1.00 1.10 N flip ATOM 0 H HIS A 120 4.424 -4.276 -14.804 1.00 0.70 H new ATOM 0 HA HIS A 120 2.828 -3.150 -17.010 1.00 0.78 H new ATOM 0 HB2 HIS A 120 2.088 -3.970 -14.173 1.00 0.80 H new ATOM 0 HB3 HIS A 120 0.985 -3.185 -15.286 1.00 0.80 H new ATOM 0 HD2 HIS A 120 0.213 -4.520 -17.453 1.00 0.97 H new ATOM 0 HE1 HIS A 120 1.190 -8.385 -16.173 1.00 1.16 H new ATOM 0 HE2 HIS A 120 -0.096 -7.006 -17.886 1.00 1.10 H new ATOM 1349 N GLU A 121 2.290 -0.902 -15.746 1.00 0.78 N ATOM 1350 CA GLU A 121 2.293 0.452 -15.221 1.00 0.84 C ATOM 1351 C GLU A 121 1.141 0.636 -14.247 1.00 0.84 C ATOM 1352 O GLU A 121 -0.009 0.337 -14.573 1.00 0.98 O ATOM 1353 CB GLU A 121 2.173 1.482 -16.348 1.00 1.05 C ATOM 1354 CG GLU A 121 3.345 1.483 -17.315 1.00 1.71 C ATOM 1355 CD GLU A 121 4.673 1.684 -16.615 1.00 2.10 C ATOM 1356 OE1 GLU A 121 4.701 2.350 -15.562 1.00 2.69 O ATOM 1357 OE2 GLU A 121 5.703 1.192 -17.123 1.00 2.11 O ATOM 0 H GLU A 121 1.530 -1.100 -16.396 1.00 0.78 H new ATOM 0 HA GLU A 121 3.240 0.609 -14.705 1.00 0.84 H new ATOM 0 HB2 GLU A 121 1.256 1.290 -16.905 1.00 1.05 H new ATOM 0 HB3 GLU A 121 2.077 2.475 -15.909 1.00 1.05 H new ATOM 0 HG2 GLU A 121 3.364 0.539 -17.859 1.00 1.71 H new ATOM 0 HG3 GLU A 121 3.203 2.273 -18.052 1.00 1.71 H new ATOM 1364 N LEU A 122 1.455 1.106 -13.052 1.00 0.88 N ATOM 1365 CA LEU A 122 0.427 1.419 -12.073 1.00 0.89 C ATOM 1366 C LEU A 122 -0.269 2.731 -12.443 1.00 0.96 C ATOM 1367 O LEU A 122 0.350 3.634 -13.005 1.00 1.08 O ATOM 1368 CB LEU A 122 1.012 1.455 -10.647 1.00 0.90 C ATOM 1369 CG LEU A 122 2.463 1.939 -10.510 1.00 0.58 C ATOM 1370 CD1 LEU A 122 2.582 3.429 -10.780 1.00 1.21 C ATOM 1371 CD2 LEU A 122 2.998 1.605 -9.125 1.00 0.74 C ATOM 0 H LEU A 122 2.409 1.279 -12.737 1.00 0.88 H new ATOM 0 HA LEU A 122 -0.324 0.629 -12.085 1.00 0.89 H new ATOM 0 HB2 LEU A 122 0.379 2.098 -10.036 1.00 0.90 H new ATOM 0 HB3 LEU A 122 0.947 0.451 -10.227 1.00 0.90 H new ATOM 0 HG LEU A 122 3.062 1.420 -11.258 1.00 0.58 H new ATOM 0 HD11 LEU A 122 3.622 3.736 -10.674 1.00 1.21 H new ATOM 0 HD12 LEU A 122 2.242 3.644 -11.793 1.00 1.21 H new ATOM 0 HD13 LEU A 122 1.967 3.978 -10.067 1.00 1.21 H new ATOM 0 HD21 LEU A 122 4.027 1.953 -9.039 1.00 0.74 H new ATOM 0 HD22 LEU A 122 2.385 2.097 -8.370 1.00 0.74 H new ATOM 0 HD23 LEU A 122 2.966 0.526 -8.973 1.00 0.74 H new ATOM 1383 N PRO A 123 -1.577 2.843 -12.142 1.00 1.00 N ATOM 1384 CA PRO A 123 -2.409 3.977 -12.578 1.00 1.15 C ATOM 1385 C PRO A 123 -1.996 5.310 -11.959 1.00 1.04 C ATOM 1386 O PRO A 123 -2.476 6.364 -12.373 1.00 1.16 O ATOM 1387 CB PRO A 123 -3.816 3.592 -12.106 1.00 1.28 C ATOM 1388 CG PRO A 123 -3.590 2.636 -10.988 1.00 1.19 C ATOM 1389 CD PRO A 123 -2.353 1.869 -11.356 1.00 1.01 C ATOM 0 HA PRO A 123 -2.322 4.135 -13.653 1.00 1.15 H new ATOM 0 HB2 PRO A 123 -4.375 4.466 -11.773 1.00 1.28 H new ATOM 0 HB3 PRO A 123 -4.392 3.133 -12.910 1.00 1.28 H new ATOM 0 HG2 PRO A 123 -3.458 3.163 -10.043 1.00 1.19 H new ATOM 0 HG3 PRO A 123 -4.443 1.969 -10.865 1.00 1.19 H new ATOM 0 HD2 PRO A 123 -1.807 1.537 -10.473 1.00 1.01 H new ATOM 0 HD3 PRO A 123 -2.589 0.978 -11.938 1.00 1.01 H new ATOM 1397 N ALA A 124 -1.105 5.249 -10.972 1.00 0.88 N ATOM 1398 CA ALA A 124 -0.648 6.438 -10.245 1.00 0.86 C ATOM 1399 C ALA A 124 -1.804 7.112 -9.511 1.00 0.82 C ATOM 1400 O ALA A 124 -1.722 8.282 -9.139 1.00 0.88 O ATOM 1401 CB ALA A 124 0.027 7.426 -11.191 1.00 1.06 C ATOM 0 H ALA A 124 -0.679 4.379 -10.652 1.00 0.88 H new ATOM 0 HA ALA A 124 0.083 6.113 -9.504 1.00 0.86 H new ATOM 0 HB1 ALA A 124 0.358 8.300 -10.629 1.00 1.06 H new ATOM 0 HB2 ALA A 124 0.888 6.950 -11.661 1.00 1.06 H new ATOM 0 HB3 ALA A 124 -0.681 7.735 -11.960 1.00 1.06 H new ATOM 1407 N ASP A 125 -2.874 6.359 -9.304 1.00 0.82 N ATOM 1408 CA ASP A 125 -4.050 6.848 -8.598 1.00 0.84 C ATOM 1409 C ASP A 125 -4.499 5.837 -7.567 1.00 0.83 C ATOM 1410 O ASP A 125 -3.957 4.733 -7.495 1.00 0.85 O ATOM 1411 CB ASP A 125 -5.214 7.091 -9.561 1.00 0.90 C ATOM 1412 CG ASP A 125 -5.141 8.420 -10.274 1.00 1.36 C ATOM 1413 OD1 ASP A 125 -5.216 9.466 -9.597 1.00 1.93 O ATOM 1414 OD2 ASP A 125 -4.989 8.427 -11.512 1.00 1.76 O ATOM 0 H ASP A 125 -2.952 5.392 -9.620 1.00 0.82 H new ATOM 0 HA ASP A 125 -3.772 7.786 -8.118 1.00 0.84 H new ATOM 0 HB2 ASP A 125 -5.235 6.291 -10.302 1.00 0.90 H new ATOM 0 HB3 ASP A 125 -6.151 7.037 -9.007 1.00 0.90 H new ATOM 1419 N LEU A 126 -5.500 6.215 -6.792 1.00 0.84 N ATOM 1420 CA LEU A 126 -6.133 5.300 -5.862 1.00 0.85 C ATOM 1421 C LEU A 126 -7.629 5.252 -6.173 1.00 0.82 C ATOM 1422 O LEU A 126 -8.405 6.064 -5.670 1.00 0.86 O ATOM 1423 CB LEU A 126 -5.889 5.746 -4.411 1.00 0.92 C ATOM 1424 CG LEU A 126 -5.752 4.618 -3.380 1.00 0.94 C ATOM 1425 CD1 LEU A 126 -5.517 5.206 -1.998 1.00 1.85 C ATOM 1426 CD2 LEU A 126 -6.982 3.721 -3.371 1.00 1.62 C ATOM 0 H LEU A 126 -5.893 7.156 -6.790 1.00 0.84 H new ATOM 0 HA LEU A 126 -5.704 4.304 -5.973 1.00 0.85 H new ATOM 0 HB2 LEU A 126 -4.982 6.350 -4.384 1.00 0.92 H new ATOM 0 HB3 LEU A 126 -6.712 6.393 -4.106 1.00 0.92 H new ATOM 0 HG LEU A 126 -4.896 4.004 -3.660 1.00 0.94 H new ATOM 0 HD11 LEU A 126 -5.421 4.400 -1.271 1.00 1.85 H new ATOM 0 HD12 LEU A 126 -4.602 5.799 -2.006 1.00 1.85 H new ATOM 0 HD13 LEU A 126 -6.359 5.842 -1.725 1.00 1.85 H new ATOM 0 HD21 LEU A 126 -6.852 2.933 -2.630 1.00 1.62 H new ATOM 0 HD22 LEU A 126 -7.862 4.313 -3.120 1.00 1.62 H new ATOM 0 HD23 LEU A 126 -7.114 3.274 -4.356 1.00 1.62 H new ATOM 1438 N PRO A 127 -8.039 4.323 -7.050 1.00 0.79 N ATOM 1439 CA PRO A 127 -9.438 4.186 -7.452 1.00 0.78 C ATOM 1440 C PRO A 127 -10.310 3.653 -6.318 1.00 0.79 C ATOM 1441 O PRO A 127 -9.836 2.907 -5.461 1.00 0.81 O ATOM 1442 CB PRO A 127 -9.384 3.186 -8.612 1.00 0.90 C ATOM 1443 CG PRO A 127 -8.140 2.403 -8.381 1.00 0.76 C ATOM 1444 CD PRO A 127 -7.169 3.340 -7.719 1.00 0.81 C ATOM 0 HA PRO A 127 -9.882 5.143 -7.727 1.00 0.78 H new ATOM 0 HB2 PRO A 127 -10.262 2.540 -8.619 1.00 0.90 H new ATOM 0 HB3 PRO A 127 -9.357 3.697 -9.574 1.00 0.90 H new ATOM 0 HG2 PRO A 127 -8.337 1.537 -7.749 1.00 0.76 H new ATOM 0 HG3 PRO A 127 -7.737 2.026 -9.321 1.00 0.76 H new ATOM 0 HD2 PRO A 127 -6.531 2.818 -7.006 1.00 0.81 H new ATOM 0 HD3 PRO A 127 -6.511 3.816 -8.446 1.00 0.81 H new ATOM 1452 N PRO A 128 -11.608 4.013 -6.315 1.00 0.82 N ATOM 1453 CA PRO A 128 -12.546 3.631 -5.251 1.00 0.89 C ATOM 1454 C PRO A 128 -12.627 2.121 -5.048 1.00 0.92 C ATOM 1455 O PRO A 128 -12.946 1.652 -3.959 1.00 1.00 O ATOM 1456 CB PRO A 128 -13.898 4.167 -5.737 1.00 0.98 C ATOM 1457 CG PRO A 128 -13.709 4.451 -7.186 1.00 1.02 C ATOM 1458 CD PRO A 128 -12.267 4.832 -7.342 1.00 0.86 C ATOM 0 HA PRO A 128 -12.232 4.034 -4.288 1.00 0.89 H new ATOM 0 HB2 PRO A 128 -14.691 3.436 -5.579 1.00 0.98 H new ATOM 0 HB3 PRO A 128 -14.183 5.068 -5.193 1.00 0.98 H new ATOM 0 HG2 PRO A 128 -13.950 3.577 -7.791 1.00 1.02 H new ATOM 0 HG3 PRO A 128 -14.364 5.257 -7.515 1.00 1.02 H new ATOM 0 HD2 PRO A 128 -11.894 4.607 -8.341 1.00 0.86 H new ATOM 0 HD3 PRO A 128 -12.108 5.897 -7.175 1.00 0.86 H new ATOM 1466 N HIS A 129 -12.327 1.361 -6.095 1.00 0.90 N ATOM 1467 CA HIS A 129 -12.403 -0.092 -6.011 1.00 0.96 C ATOM 1468 C HIS A 129 -11.082 -0.700 -5.535 1.00 0.95 C ATOM 1469 O HIS A 129 -10.826 -1.884 -5.744 1.00 1.02 O ATOM 1470 CB HIS A 129 -12.845 -0.710 -7.352 1.00 1.02 C ATOM 1471 CG HIS A 129 -11.977 -0.397 -8.539 1.00 1.03 C ATOM 1472 ND1 HIS A 129 -12.420 0.347 -9.611 1.00 1.10 N ATOM 1473 CD2 HIS A 129 -10.711 -0.771 -8.845 1.00 1.08 C ATOM 1474 CE1 HIS A 129 -11.468 0.418 -10.522 1.00 1.14 C ATOM 1475 NE2 HIS A 129 -10.416 -0.254 -10.086 1.00 1.14 N ATOM 0 H HIS A 129 -12.032 1.722 -7.002 1.00 0.90 H new ATOM 0 HA HIS A 129 -13.162 -0.332 -5.266 1.00 0.96 H new ATOM 0 HB2 HIS A 129 -12.888 -1.793 -7.234 1.00 1.02 H new ATOM 0 HB3 HIS A 129 -13.858 -0.372 -7.569 1.00 1.02 H new ATOM 0 HD2 HIS A 129 -10.054 -1.366 -8.228 1.00 1.08 H new ATOM 0 HE1 HIS A 129 -11.537 0.938 -11.466 1.00 1.14 H new ATOM 0 HE2 HIS A 129 -9.534 -0.370 -10.585 1.00 1.14 H new ATOM 1484 N LEU A 130 -10.246 0.116 -4.904 1.00 0.89 N ATOM 1485 CA LEU A 130 -9.027 -0.376 -4.273 1.00 0.92 C ATOM 1486 C LEU A 130 -8.913 0.144 -2.845 1.00 0.93 C ATOM 1487 O LEU A 130 -7.918 -0.104 -2.166 1.00 1.06 O ATOM 1488 CB LEU A 130 -7.783 0.026 -5.072 1.00 0.89 C ATOM 1489 CG LEU A 130 -7.544 -0.773 -6.356 1.00 0.94 C ATOM 1490 CD1 LEU A 130 -6.257 -0.324 -7.034 1.00 1.32 C ATOM 1491 CD2 LEU A 130 -7.493 -2.262 -6.051 1.00 1.34 C ATOM 0 H LEU A 130 -10.390 1.122 -4.816 1.00 0.89 H new ATOM 0 HA LEU A 130 -9.086 -1.464 -4.253 1.00 0.92 H new ATOM 0 HB2 LEU A 130 -7.863 1.082 -5.330 1.00 0.89 H new ATOM 0 HB3 LEU A 130 -6.909 -0.080 -4.430 1.00 0.89 H new ATOM 0 HG LEU A 130 -8.374 -0.587 -7.038 1.00 0.94 H new ATOM 0 HD11 LEU A 130 -6.104 -0.903 -7.945 1.00 1.32 H new ATOM 0 HD12 LEU A 130 -6.328 0.734 -7.285 1.00 1.32 H new ATOM 0 HD13 LEU A 130 -5.416 -0.481 -6.359 1.00 1.32 H new ATOM 0 HD21 LEU A 130 -7.323 -2.817 -6.974 1.00 1.34 H new ATOM 0 HD22 LEU A 130 -6.681 -2.463 -5.352 1.00 1.34 H new ATOM 0 HD23 LEU A 130 -8.439 -2.575 -5.609 1.00 1.34 H new ATOM 1503 N VAL A 131 -9.948 0.848 -2.390 1.00 0.90 N ATOM 1504 CA VAL A 131 -9.944 1.449 -1.064 1.00 0.95 C ATOM 1505 C VAL A 131 -10.375 0.430 -0.012 1.00 1.00 C ATOM 1506 O VAL A 131 -11.482 -0.108 -0.071 1.00 1.11 O ATOM 1507 CB VAL A 131 -10.870 2.685 -0.998 1.00 1.07 C ATOM 1508 CG1 VAL A 131 -10.806 3.341 0.375 1.00 1.56 C ATOM 1509 CG2 VAL A 131 -10.502 3.683 -2.085 1.00 1.57 C ATOM 0 H VAL A 131 -10.801 1.015 -2.924 1.00 0.90 H new ATOM 0 HA VAL A 131 -8.924 1.773 -0.857 1.00 0.95 H new ATOM 0 HB VAL A 131 -11.894 2.352 -1.165 1.00 1.07 H new ATOM 0 HG11 VAL A 131 -11.466 4.208 0.395 1.00 1.56 H new ATOM 0 HG12 VAL A 131 -11.122 2.626 1.135 1.00 1.56 H new ATOM 0 HG13 VAL A 131 -9.784 3.659 0.579 1.00 1.56 H new ATOM 0 HG21 VAL A 131 -11.163 4.547 -2.025 1.00 1.57 H new ATOM 0 HG22 VAL A 131 -9.470 4.006 -1.948 1.00 1.57 H new ATOM 0 HG23 VAL A 131 -10.609 3.212 -3.062 1.00 1.57 H new ATOM 1519 N PRO A 132 -9.490 0.144 0.959 1.00 1.06 N ATOM 1520 CA PRO A 132 -9.759 -0.825 2.027 1.00 1.23 C ATOM 1521 C PRO A 132 -10.974 -0.453 2.880 1.00 1.32 C ATOM 1522 O PRO A 132 -11.274 0.730 3.076 1.00 1.30 O ATOM 1523 CB PRO A 132 -8.479 -0.801 2.873 1.00 1.35 C ATOM 1524 CG PRO A 132 -7.792 0.469 2.510 1.00 1.33 C ATOM 1525 CD PRO A 132 -8.149 0.735 1.079 1.00 1.08 C ATOM 0 HA PRO A 132 -9.998 -1.808 1.620 1.00 1.23 H new ATOM 0 HB2 PRO A 132 -8.711 -0.833 3.938 1.00 1.35 H new ATOM 0 HB3 PRO A 132 -7.849 -1.664 2.658 1.00 1.35 H new ATOM 0 HG2 PRO A 132 -8.118 1.287 3.152 1.00 1.33 H new ATOM 0 HG3 PRO A 132 -6.713 0.378 2.633 1.00 1.33 H new ATOM 0 HD2 PRO A 132 -8.156 1.802 0.856 1.00 1.08 H new ATOM 0 HD3 PRO A 132 -7.440 0.271 0.393 1.00 1.08 H new ATOM 1533 N PRO A 133 -11.688 -1.470 3.406 1.00 1.52 N ATOM 1534 CA PRO A 133 -12.901 -1.276 4.217 1.00 1.77 C ATOM 1535 C PRO A 133 -12.670 -0.384 5.440 1.00 1.82 C ATOM 1536 O PRO A 133 -13.606 0.233 5.956 1.00 2.01 O ATOM 1537 CB PRO A 133 -13.272 -2.700 4.653 1.00 2.05 C ATOM 1538 CG PRO A 133 -12.648 -3.584 3.629 1.00 1.80 C ATOM 1539 CD PRO A 133 -11.373 -2.901 3.230 1.00 1.63 C ATOM 0 HA PRO A 133 -13.682 -0.768 3.651 1.00 1.77 H new ATOM 0 HB2 PRO A 133 -12.892 -2.920 5.651 1.00 2.05 H new ATOM 0 HB3 PRO A 133 -14.353 -2.835 4.687 1.00 2.05 H new ATOM 0 HG2 PRO A 133 -12.451 -4.576 4.035 1.00 1.80 H new ATOM 0 HG3 PRO A 133 -13.307 -3.716 2.771 1.00 1.80 H new ATOM 0 HD2 PRO A 133 -10.537 -3.210 3.858 1.00 1.63 H new ATOM 0 HD3 PRO A 133 -11.099 -3.129 2.200 1.00 1.63 H new ATOM 1547 N SER A 134 -11.417 -0.301 5.871 1.00 1.74 N ATOM 1548 CA SER A 134 -11.034 0.502 7.026 1.00 1.88 C ATOM 1549 C SER A 134 -11.203 2.005 6.747 1.00 1.70 C ATOM 1550 O SER A 134 -11.070 2.833 7.648 1.00 1.80 O ATOM 1551 CB SER A 134 -9.577 0.188 7.397 1.00 1.98 C ATOM 1552 OG SER A 134 -9.164 0.884 8.563 1.00 2.66 O ATOM 0 H SER A 134 -10.638 -0.789 5.429 1.00 1.74 H new ATOM 0 HA SER A 134 -11.690 0.249 7.859 1.00 1.88 H new ATOM 0 HB2 SER A 134 -9.467 -0.885 7.557 1.00 1.98 H new ATOM 0 HB3 SER A 134 -8.925 0.455 6.565 1.00 1.98 H new ATOM 0 HG SER A 134 -9.663 1.724 8.637 1.00 2.66 H new ATOM 1558 N LYS A 135 -11.489 2.354 5.499 1.00 1.54 N ATOM 1559 CA LYS A 135 -11.630 3.755 5.112 1.00 1.51 C ATOM 1560 C LYS A 135 -13.045 4.061 4.617 1.00 1.68 C ATOM 1561 O LYS A 135 -13.269 5.037 3.903 1.00 1.78 O ATOM 1562 CB LYS A 135 -10.592 4.103 4.040 1.00 1.41 C ATOM 1563 CG LYS A 135 -9.164 4.040 4.554 1.00 1.61 C ATOM 1564 CD LYS A 135 -8.864 5.182 5.507 1.00 1.57 C ATOM 1565 CE LYS A 135 -7.651 4.880 6.376 1.00 2.32 C ATOM 1566 NZ LYS A 135 -7.887 3.749 7.323 1.00 3.10 N ATOM 0 H LYS A 135 -11.628 1.689 4.738 1.00 1.54 H new ATOM 0 HA LYS A 135 -11.455 4.373 5.992 1.00 1.51 H new ATOM 0 HB2 LYS A 135 -10.701 3.416 3.200 1.00 1.41 H new ATOM 0 HB3 LYS A 135 -10.792 5.105 3.660 1.00 1.41 H new ATOM 0 HG2 LYS A 135 -9.001 3.089 5.061 1.00 1.61 H new ATOM 0 HG3 LYS A 135 -8.472 4.076 3.713 1.00 1.61 H new ATOM 0 HD2 LYS A 135 -8.687 6.095 4.938 1.00 1.57 H new ATOM 0 HD3 LYS A 135 -9.731 5.365 6.142 1.00 1.57 H new ATOM 0 HE2 LYS A 135 -6.801 4.641 5.736 1.00 2.32 H new ATOM 0 HE3 LYS A 135 -7.383 5.772 6.942 1.00 2.32 H new ATOM 0 HZ1 LYS A 135 -7.155 3.757 8.062 1.00 3.10 H new ATOM 0 HZ2 LYS A 135 -8.824 3.854 7.762 1.00 3.10 H new ATOM 0 HZ3 LYS A 135 -7.846 2.848 6.805 1.00 3.10 H new ATOM 1580 N ARG A 136 -13.998 3.228 5.017 1.00 1.84 N ATOM 1581 CA ARG A 136 -15.397 3.432 4.646 1.00 2.11 C ATOM 1582 C ARG A 136 -16.201 3.930 5.841 1.00 2.38 C ATOM 1583 O ARG A 136 -15.909 3.567 6.985 1.00 2.59 O ATOM 1584 CB ARG A 136 -16.025 2.123 4.156 1.00 2.43 C ATOM 1585 CG ARG A 136 -15.233 1.405 3.083 1.00 2.07 C ATOM 1586 CD ARG A 136 -15.941 0.127 2.661 1.00 2.16 C ATOM 1587 NE ARG A 136 -16.159 -0.781 3.795 1.00 2.41 N ATOM 1588 CZ ARG A 136 -16.920 -1.878 3.739 1.00 3.06 C ATOM 1589 NH1 ARG A 136 -17.569 -2.187 2.620 1.00 3.21 N ATOM 1590 NH2 ARG A 136 -17.057 -2.649 4.814 1.00 3.86 N ATOM 0 H ARG A 136 -13.830 2.406 5.597 1.00 1.84 H new ATOM 0 HA ARG A 136 -15.419 4.174 3.848 1.00 2.11 H new ATOM 0 HB2 ARG A 136 -16.148 1.454 5.007 1.00 2.43 H new ATOM 0 HB3 ARG A 136 -17.022 2.336 3.771 1.00 2.43 H new ATOM 0 HG2 ARG A 136 -15.104 2.058 2.220 1.00 2.07 H new ATOM 0 HG3 ARG A 136 -14.236 1.169 3.456 1.00 2.07 H new ATOM 0 HD2 ARG A 136 -16.900 0.377 2.207 1.00 2.16 H new ATOM 0 HD3 ARG A 136 -15.350 -0.380 1.899 1.00 2.16 H new ATOM 0 HE ARG A 136 -15.701 -0.561 4.680 1.00 2.41 H new ATOM 0 HH11 ARG A 136 -17.487 -1.586 1.800 1.00 3.21 H new ATOM 0 HH12 ARG A 136 -18.149 -3.025 2.582 1.00 3.21 H new ATOM 0 HH21 ARG A 136 -16.581 -2.403 5.682 1.00 3.86 H new ATOM 0 HH22 ARG A 136 -17.638 -3.486 4.770 1.00 3.86 H new ATOM 1604 N ARG A 137 -17.208 4.760 5.583 1.00 2.52 N ATOM 1605 CA ARG A 137 -18.179 5.094 6.617 1.00 2.92 C ATOM 1606 C ARG A 137 -18.981 3.850 6.964 1.00 3.35 C ATOM 1607 O ARG A 137 -19.803 3.384 6.167 1.00 3.45 O ATOM 1608 CB ARG A 137 -19.130 6.221 6.189 1.00 3.10 C ATOM 1609 CG ARG A 137 -18.493 7.600 6.174 1.00 3.38 C ATOM 1610 CD ARG A 137 -19.552 8.695 6.140 1.00 3.56 C ATOM 1611 NE ARG A 137 -20.443 8.629 7.305 1.00 3.80 N ATOM 1612 CZ ARG A 137 -21.188 9.647 7.751 1.00 4.35 C ATOM 1613 NH1 ARG A 137 -21.175 10.818 7.127 1.00 4.68 N ATOM 1614 NH2 ARG A 137 -21.966 9.477 8.809 1.00 5.00 N ATOM 0 H ARG A 137 -17.371 5.207 4.681 1.00 2.52 H new ATOM 0 HA ARG A 137 -17.629 5.453 7.487 1.00 2.92 H new ATOM 0 HB2 ARG A 137 -19.513 5.999 5.193 1.00 3.10 H new ATOM 0 HB3 ARG A 137 -19.986 6.235 6.864 1.00 3.10 H new ATOM 0 HG2 ARG A 137 -17.866 7.724 7.057 1.00 3.38 H new ATOM 0 HG3 ARG A 137 -17.841 7.693 5.305 1.00 3.38 H new ATOM 0 HD2 ARG A 137 -19.066 9.670 6.109 1.00 3.56 H new ATOM 0 HD3 ARG A 137 -20.140 8.603 5.227 1.00 3.56 H new ATOM 0 HE ARG A 137 -20.498 7.745 7.810 1.00 3.80 H new ATOM 0 HH11 ARG A 137 -20.593 10.948 6.299 1.00 4.68 H new ATOM 0 HH12 ARG A 137 -21.747 11.588 7.475 1.00 4.68 H new ATOM 0 HH21 ARG A 137 -21.996 8.573 9.280 1.00 5.00 H new ATOM 0 HH22 ARG A 137 -22.536 10.250 9.153 1.00 5.00 H new ATOM 1628 N HIS A 138 -18.730 3.303 8.140 1.00 3.83 N ATOM 1629 CA HIS A 138 -19.338 2.045 8.533 1.00 4.40 C ATOM 1630 C HIS A 138 -20.279 2.244 9.709 1.00 4.88 C ATOM 1631 O HIS A 138 -19.856 2.328 10.862 1.00 5.25 O ATOM 1632 CB HIS A 138 -18.268 0.984 8.845 1.00 4.87 C ATOM 1633 CG HIS A 138 -17.191 1.431 9.797 1.00 5.39 C ATOM 1634 ND1 HIS A 138 -16.182 2.297 9.433 1.00 5.76 N ATOM 1635 CD2 HIS A 138 -16.967 1.125 11.100 1.00 5.99 C ATOM 1636 CE1 HIS A 138 -15.385 2.502 10.464 1.00 6.48 C ATOM 1637 NE2 HIS A 138 -15.836 1.803 11.489 1.00 6.63 N ATOM 0 H HIS A 138 -18.109 3.710 8.839 1.00 3.83 H new ATOM 0 HA HIS A 138 -19.927 1.678 7.692 1.00 4.40 H new ATOM 0 HB2 HIS A 138 -18.760 0.105 9.262 1.00 4.87 H new ATOM 0 HB3 HIS A 138 -17.801 0.674 7.910 1.00 4.87 H new ATOM 0 HD1 HIS A 138 -16.069 2.715 8.509 1.00 5.76 H new ATOM 0 HD2 HIS A 138 -17.566 0.471 11.716 1.00 5.99 H new ATOM 0 HE1 HIS A 138 -14.510 3.135 10.469 1.00 6.48 H new ATOM 1646 N GLU A 139 -21.560 2.319 9.397 1.00 5.07 N ATOM 1647 CA GLU A 139 -22.590 2.553 10.390 1.00 5.70 C ATOM 1648 C GLU A 139 -23.904 1.951 9.914 1.00 6.29 C ATOM 1649 O GLU A 139 -24.551 1.235 10.704 1.00 6.65 O ATOM 1650 CB GLU A 139 -22.737 4.053 10.663 1.00 5.71 C ATOM 1651 CG GLU A 139 -22.880 4.898 9.407 1.00 5.26 C ATOM 1652 CD GLU A 139 -22.849 6.382 9.694 1.00 5.14 C ATOM 1653 OE1 GLU A 139 -21.749 6.970 9.703 1.00 5.38 O ATOM 1654 OE2 GLU A 139 -23.927 6.968 9.927 1.00 5.08 O ATOM 1655 OXT GLU A 139 -24.253 2.150 8.734 1.00 6.66 O ATOM 0 H GLU A 139 -21.915 2.219 8.446 1.00 5.07 H new ATOM 0 HA GLU A 139 -22.306 2.071 11.325 1.00 5.70 H new ATOM 0 HB2 GLU A 139 -23.609 4.213 11.298 1.00 5.71 H new ATOM 0 HB3 GLU A 139 -21.868 4.397 11.223 1.00 5.71 H new ATOM 0 HG2 GLU A 139 -22.076 4.650 8.714 1.00 5.26 H new ATOM 0 HG3 GLU A 139 -23.818 4.648 8.911 1.00 5.26 H new TER 1662 GLU A 139 ATOM 1663 N PHE B 143 11.339 20.320 9.171 1.00 8.10 N ATOM 1664 CA PHE B 143 10.293 20.927 10.026 1.00 8.03 C ATOM 1665 C PHE B 143 8.974 21.099 9.266 1.00 7.44 C ATOM 1666 O PHE B 143 7.984 20.436 9.567 1.00 7.60 O ATOM 1667 CB PHE B 143 10.779 22.284 10.555 1.00 8.52 C ATOM 1668 CG PHE B 143 9.803 22.976 11.472 1.00 9.13 C ATOM 1669 CD1 PHE B 143 9.648 22.561 12.787 1.00 9.57 C ATOM 1670 CD2 PHE B 143 9.042 24.040 11.016 1.00 9.42 C ATOM 1671 CE1 PHE B 143 8.753 23.195 13.627 1.00 10.25 C ATOM 1672 CE2 PHE B 143 8.144 24.677 11.852 1.00 10.12 C ATOM 1673 CZ PHE B 143 8.006 24.247 13.171 1.00 10.53 C ATOM 0 HA PHE B 143 10.107 20.254 10.863 1.00 8.03 H new ATOM 0 HB2 PHE B 143 11.719 22.138 11.087 1.00 8.52 H new ATOM 0 HB3 PHE B 143 10.990 22.937 9.708 1.00 8.52 H new ATOM 0 HD1 PHE B 143 10.234 21.733 13.158 1.00 9.57 H new ATOM 0 HD2 PHE B 143 9.152 24.376 9.995 1.00 9.42 H new ATOM 0 HE1 PHE B 143 8.642 22.859 14.647 1.00 10.25 H new ATOM 0 HE2 PHE B 143 7.553 25.503 11.485 1.00 10.12 H new ATOM 0 HZ PHE B 143 7.311 24.743 13.832 1.00 10.53 H new ATOM 1685 N ASN B 144 8.985 21.968 8.261 1.00 7.01 N ATOM 1686 CA ASN B 144 7.756 22.419 7.594 1.00 6.70 C ATOM 1687 C ASN B 144 7.025 21.290 6.865 1.00 5.91 C ATOM 1688 O ASN B 144 5.808 21.346 6.681 1.00 6.06 O ATOM 1689 CB ASN B 144 8.085 23.541 6.606 1.00 7.00 C ATOM 1690 CG ASN B 144 8.731 24.733 7.285 1.00 7.59 C ATOM 1691 OD1 ASN B 144 8.049 25.641 7.757 1.00 7.73 O ATOM 1692 ND2 ASN B 144 10.055 24.742 7.327 1.00 8.22 N ATOM 0 H ASN B 144 9.838 22.381 7.883 1.00 7.01 H new ATOM 0 HA ASN B 144 7.087 22.783 8.373 1.00 6.70 H new ATOM 0 HB2 ASN B 144 8.753 23.159 5.834 1.00 7.00 H new ATOM 0 HB3 ASN B 144 7.171 23.862 6.106 1.00 7.00 H new ATOM 0 HD21 ASN B 144 10.546 25.522 7.763 1.00 8.22 H new ATOM 0 HD22 ASN B 144 10.583 23.968 6.923 1.00 8.22 H new ATOM 1699 N TYR B 145 7.762 20.272 6.455 1.00 5.34 N ATOM 1700 CA TYR B 145 7.188 19.171 5.685 1.00 4.71 C ATOM 1701 C TYR B 145 7.073 17.900 6.523 1.00 4.07 C ATOM 1702 O TYR B 145 6.678 16.851 6.016 1.00 4.28 O ATOM 1703 CB TYR B 145 8.029 18.914 4.426 1.00 5.00 C ATOM 1704 CG TYR B 145 9.521 19.013 4.658 1.00 5.29 C ATOM 1705 CD1 TYR B 145 10.270 17.912 5.054 1.00 5.10 C ATOM 1706 CD2 TYR B 145 10.175 20.226 4.493 1.00 6.11 C ATOM 1707 CE1 TYR B 145 11.631 18.020 5.280 1.00 5.74 C ATOM 1708 CE2 TYR B 145 11.529 20.342 4.712 1.00 6.74 C ATOM 1709 CZ TYR B 145 12.256 19.240 5.107 1.00 6.56 C ATOM 1710 OH TYR B 145 13.605 19.364 5.340 1.00 7.43 O ATOM 0 H TYR B 145 8.761 20.181 6.640 1.00 5.34 H new ATOM 0 HA TYR B 145 6.180 19.458 5.387 1.00 4.71 H new ATOM 0 HB2 TYR B 145 7.796 17.921 4.041 1.00 5.00 H new ATOM 0 HB3 TYR B 145 7.742 19.630 3.656 1.00 5.00 H new ATOM 0 HD1 TYR B 145 9.783 16.957 5.187 1.00 5.10 H new ATOM 0 HD2 TYR B 145 9.611 21.095 4.187 1.00 6.11 H new ATOM 0 HE1 TYR B 145 12.201 17.156 5.590 1.00 5.74 H new ATOM 0 HE2 TYR B 145 12.020 21.294 4.575 1.00 6.74 H new ATOM 0 HH TYR B 145 13.883 20.288 5.170 1.00 7.43 H new ATOM 1720 N GLU B 146 7.402 18.011 7.814 1.00 3.73 N ATOM 1721 CA GLU B 146 7.395 16.866 8.728 1.00 3.42 C ATOM 1722 C GLU B 146 8.169 15.679 8.138 1.00 3.05 C ATOM 1723 O GLU B 146 9.108 15.864 7.359 1.00 3.46 O ATOM 1724 CB GLU B 146 5.952 16.459 9.059 1.00 3.93 C ATOM 1725 CG GLU B 146 5.179 17.518 9.834 1.00 4.68 C ATOM 1726 CD GLU B 146 3.807 17.041 10.265 1.00 5.33 C ATOM 1727 OE1 GLU B 146 3.724 16.166 11.151 1.00 5.92 O ATOM 1728 OE2 GLU B 146 2.803 17.541 9.719 1.00 5.51 O ATOM 0 H GLU B 146 7.678 18.890 8.251 1.00 3.73 H new ATOM 0 HA GLU B 146 7.896 17.164 9.649 1.00 3.42 H new ATOM 0 HB2 GLU B 146 5.423 16.243 8.131 1.00 3.93 H new ATOM 0 HB3 GLU B 146 5.968 15.536 9.639 1.00 3.93 H new ATOM 0 HG2 GLU B 146 5.752 17.808 10.715 1.00 4.68 H new ATOM 0 HG3 GLU B 146 5.072 18.409 9.216 1.00 4.68 H new ATOM 1735 N SER B 147 7.801 14.469 8.547 1.00 2.73 N ATOM 1736 CA SER B 147 8.399 13.249 8.018 1.00 2.56 C ATOM 1737 C SER B 147 7.427 12.083 8.193 1.00 1.90 C ATOM 1738 O SER B 147 7.077 11.723 9.316 1.00 2.33 O ATOM 1739 CB SER B 147 9.726 12.946 8.728 1.00 3.35 C ATOM 1740 OG SER B 147 10.619 14.045 8.632 1.00 4.34 O ATOM 0 H SER B 147 7.082 14.307 9.252 1.00 2.73 H new ATOM 0 HA SER B 147 8.604 13.389 6.957 1.00 2.56 H new ATOM 0 HB2 SER B 147 9.537 12.717 9.777 1.00 3.35 H new ATOM 0 HB3 SER B 147 10.185 12.061 8.287 1.00 3.35 H new ATOM 0 HG SER B 147 10.300 14.667 7.945 1.00 4.34 H new ATOM 1746 N THR B 148 6.960 11.523 7.086 1.00 1.20 N ATOM 1747 CA THR B 148 6.021 10.408 7.147 1.00 1.00 C ATOM 1748 C THR B 148 6.328 9.357 6.078 1.00 0.81 C ATOM 1749 O THR B 148 5.691 8.302 6.027 1.00 1.25 O ATOM 1750 CB THR B 148 4.564 10.901 6.991 1.00 1.18 C ATOM 1751 OG1 THR B 148 3.649 9.816 7.177 1.00 2.12 O ATOM 1752 CG2 THR B 148 4.339 11.529 5.619 1.00 1.63 C ATOM 0 H THR B 148 7.212 11.818 6.143 1.00 1.20 H new ATOM 0 HA THR B 148 6.135 9.946 8.128 1.00 1.00 H new ATOM 0 HB THR B 148 4.386 11.660 7.753 1.00 1.18 H new ATOM 0 HG1 THR B 148 4.048 8.989 6.834 1.00 2.12 H new ATOM 0 HG21 THR B 148 3.306 11.866 5.538 1.00 1.63 H new ATOM 0 HG22 THR B 148 5.009 12.379 5.494 1.00 1.63 H new ATOM 0 HG23 THR B 148 4.541 10.790 4.843 1.00 1.63 H new ATOM 1760 N ASP B 149 7.311 9.645 5.238 1.00 0.45 N ATOM 1761 CA ASP B 149 7.687 8.748 4.157 1.00 0.42 C ATOM 1762 C ASP B 149 9.185 8.474 4.208 1.00 0.31 C ATOM 1763 O ASP B 149 9.992 9.400 4.266 1.00 0.30 O ATOM 1764 CB ASP B 149 7.299 9.358 2.812 1.00 0.70 C ATOM 1765 CG ASP B 149 7.803 8.556 1.635 1.00 0.53 C ATOM 1766 OD1 ASP B 149 8.952 8.793 1.207 1.00 0.42 O ATOM 1767 OD2 ASP B 149 7.056 7.701 1.137 1.00 1.25 O ATOM 0 H ASP B 149 7.866 10.500 5.286 1.00 0.45 H new ATOM 0 HA ASP B 149 7.156 7.803 4.274 1.00 0.42 H new ATOM 0 HB2 ASP B 149 6.213 9.436 2.754 1.00 0.70 H new ATOM 0 HB3 ASP B 149 7.695 10.372 2.751 1.00 0.70 H new ATOM 1772 N PRO B 150 9.566 7.192 4.205 1.00 0.31 N ATOM 1773 CA PRO B 150 10.957 6.760 4.372 1.00 0.29 C ATOM 1774 C PRO B 150 11.816 6.938 3.120 1.00 0.29 C ATOM 1775 O PRO B 150 13.014 6.632 3.135 1.00 0.34 O ATOM 1776 CB PRO B 150 10.834 5.263 4.716 1.00 0.34 C ATOM 1777 CG PRO B 150 9.369 4.987 4.855 1.00 0.49 C ATOM 1778 CD PRO B 150 8.666 6.046 4.061 1.00 0.43 C ATOM 0 HA PRO B 150 11.457 7.360 5.132 1.00 0.29 H new ATOM 0 HB2 PRO B 150 11.274 4.646 3.933 1.00 0.34 H new ATOM 0 HB3 PRO B 150 11.364 5.031 5.640 1.00 0.34 H new ATOM 0 HG2 PRO B 150 9.123 3.993 4.481 1.00 0.49 H new ATOM 0 HG3 PRO B 150 9.065 5.019 5.901 1.00 0.49 H new ATOM 0 HD2 PRO B 150 8.540 5.756 3.018 1.00 0.43 H new ATOM 0 HD3 PRO B 150 7.672 6.257 4.455 1.00 0.43 H new ATOM 1786 N PHE B 151 11.214 7.404 2.035 1.00 0.31 N ATOM 1787 CA PHE B 151 11.932 7.566 0.778 1.00 0.39 C ATOM 1788 C PHE B 151 12.191 9.039 0.499 1.00 0.46 C ATOM 1789 O PHE B 151 12.940 9.393 -0.416 1.00 0.56 O ATOM 1790 CB PHE B 151 11.128 6.948 -0.367 1.00 0.44 C ATOM 1791 CG PHE B 151 10.542 5.614 -0.010 1.00 0.36 C ATOM 1792 CD1 PHE B 151 11.273 4.461 -0.218 1.00 0.42 C ATOM 1793 CD2 PHE B 151 9.262 5.509 0.509 1.00 0.30 C ATOM 1794 CE1 PHE B 151 10.749 3.227 0.076 1.00 0.42 C ATOM 1795 CE2 PHE B 151 8.727 4.269 0.804 1.00 0.27 C ATOM 1796 CZ PHE B 151 9.443 3.173 0.710 1.00 0.32 C ATOM 0 H PHE B 151 10.232 7.676 1.999 1.00 0.31 H new ATOM 0 HA PHE B 151 12.891 7.054 0.856 1.00 0.39 H new ATOM 0 HB2 PHE B 151 10.325 7.629 -0.650 1.00 0.44 H new ATOM 0 HB3 PHE B 151 11.773 6.835 -1.239 1.00 0.44 H new ATOM 0 HD1 PHE B 151 12.273 4.531 -0.619 1.00 0.42 H new ATOM 0 HD2 PHE B 151 8.679 6.401 0.684 1.00 0.30 H new ATOM 0 HE1 PHE B 151 11.292 2.323 -0.157 1.00 0.42 H new ATOM 0 HE2 PHE B 151 7.696 4.200 1.119 1.00 0.27 H new ATOM 0 HZ PHE B 151 9.065 2.240 1.100 1.00 0.32 H new ATOM 1806 N THR B 152 11.569 9.891 1.290 1.00 0.53 N ATOM 1807 CA THR B 152 11.679 11.324 1.112 1.00 0.65 C ATOM 1808 C THR B 152 12.052 12.006 2.425 1.00 1.20 C ATOM 1809 O THR B 152 12.312 11.336 3.427 1.00 1.89 O ATOM 1810 CB THR B 152 10.356 11.903 0.569 1.00 0.95 C ATOM 1811 OG1 THR B 152 9.261 11.456 1.374 1.00 1.59 O ATOM 1812 CG2 THR B 152 10.127 11.482 -0.877 1.00 0.98 C ATOM 0 H THR B 152 10.976 9.610 2.071 1.00 0.53 H new ATOM 0 HA THR B 152 12.470 11.516 0.387 1.00 0.65 H new ATOM 0 HB THR B 152 10.422 12.990 0.608 1.00 0.95 H new ATOM 0 HG1 THR B 152 8.976 10.568 1.074 1.00 1.59 H new ATOM 0 HG21 THR B 152 9.188 11.904 -1.234 1.00 0.98 H new ATOM 0 HG22 THR B 152 10.947 11.846 -1.496 1.00 0.98 H new ATOM 0 HG23 THR B 152 10.082 10.395 -0.937 1.00 0.98 H new ATOM 1820 N ALA B 153 12.107 13.338 2.394 1.00 1.65 N ATOM 1821 CA ALA B 153 12.410 14.149 3.577 1.00 2.19 C ATOM 1822 C ALA B 153 13.830 13.887 4.081 1.00 2.66 C ATOM 1823 O ALA B 153 14.672 13.352 3.348 1.00 3.11 O ATOM 1824 CB ALA B 153 11.384 13.895 4.679 1.00 2.67 C ATOM 0 H ALA B 153 11.943 13.886 1.550 1.00 1.65 H new ATOM 0 HA ALA B 153 12.351 15.199 3.289 1.00 2.19 H new ATOM 0 HB1 ALA B 153 11.626 14.506 5.549 1.00 2.67 H new ATOM 0 HB2 ALA B 153 10.389 14.156 4.317 1.00 2.67 H new ATOM 0 HB3 ALA B 153 11.404 12.842 4.959 1.00 2.67 H new ATOM 1830 N LYS B 154 14.101 14.291 5.318 1.00 3.24 N ATOM 1831 CA LYS B 154 15.412 14.109 5.917 1.00 4.19 C ATOM 1832 C LYS B 154 15.304 14.136 7.436 1.00 5.08 C ATOM 1833 O LYS B 154 15.616 13.109 8.071 1.00 5.70 O ATOM 1834 CB LYS B 154 16.384 15.192 5.428 1.00 4.91 C ATOM 1835 CG LYS B 154 17.796 15.053 5.989 1.00 5.18 C ATOM 1836 CD LYS B 154 18.369 13.661 5.748 1.00 5.46 C ATOM 1837 CE LYS B 154 18.475 13.333 4.268 1.00 6.30 C ATOM 1838 NZ LYS B 154 19.459 14.198 3.566 1.00 6.99 N ATOM 1839 OXT LYS B 154 14.877 15.175 7.985 1.00 5.48 O ATOM 0 H LYS B 154 13.423 14.749 5.926 1.00 3.24 H new ATOM 0 HA LYS B 154 15.801 13.138 5.612 1.00 4.19 H new ATOM 0 HB2 LYS B 154 16.431 15.160 4.339 1.00 4.91 H new ATOM 0 HB3 LYS B 154 15.990 16.171 5.701 1.00 4.91 H new ATOM 0 HG2 LYS B 154 18.445 15.798 5.528 1.00 5.18 H new ATOM 0 HG3 LYS B 154 17.784 15.260 7.059 1.00 5.18 H new ATOM 0 HD2 LYS B 154 19.356 13.592 6.205 1.00 5.46 H new ATOM 0 HD3 LYS B 154 17.738 12.920 6.238 1.00 5.46 H new ATOM 0 HE2 LYS B 154 18.764 12.289 4.150 1.00 6.30 H new ATOM 0 HE3 LYS B 154 17.496 13.448 3.802 1.00 6.30 H new ATOM 0 HZ1 LYS B 154 19.571 13.871 2.585 1.00 6.99 H new ATOM 0 HZ2 LYS B 154 19.120 15.181 3.567 1.00 6.99 H new ATOM 0 HZ3 LYS B 154 20.376 14.148 4.054 1.00 6.99 H new TER 1853 LYS B 154 HETATM 1854 CA CA A 141 -0.902 2.983 6.904 1.00 0.52 CA