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 97 LYS NZ :NH3+ -148:sc= 1.24 (180deg=0) USER MOD Set 1.2: B 145 TYR OH : rot -140:sc= 1.03 USER MOD Set 2.1: A 91 LYS NZ :NH3+ 171:sc= 2.01 (180deg=0.126) USER MOD Set 2.2: B 152 THR OG1 : rot 41:sc= 1.52 USER MOD Set 3.1: A 53 TYR OH : rot 61:sc= 1.02 USER MOD Set 3.2: A 114 LYS NZ :NH3+ 170:sc= 1.25 (180deg=1.01) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -153:sc= 2.41 (180deg=1.54) USER MOD Single : A 52 THR OG1 : rot 153:sc= 1.25 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot -78:sc= 1.02 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN :FLIP amide:sc=-0.00157 F(o=-1.5!,f=-0.0016) USER MOD Single : A 66 LYS NZ :NH3+ -163:sc= 2.13 (180deg=1.94) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.114 USER MOD Single : A 71 ASN : amide:sc= -4.44! C(o=-4.4!,f=-8.1!) USER MOD Single : A 73 LYS NZ :NH3+ 171:sc= 0.723 (180deg=0.665) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl -110:sc= -0.881 (180deg=-1.76) USER MOD Single : A 78 LYS NZ :NH3+ -163:sc= -0.077 (180deg=-0.38) USER MOD Single : A 79 SER OG : rot 60:sc= 0.924 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= -0.0195 K(o=-0.019,f=-1.6!) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.0411 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 ASN :FLIP amide:sc=-0.000189 F(o=-0.7,f=-0.00019) USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 116 LYS NZ :NH3+ -125:sc= -0.183 (180deg=-0.905!) USER MOD Single : A 120 HIS :FLIP no HD1:sc= -0.124 F(o=-0.69,f=-0.12) USER MOD Single : A 129 HIS :FLIP no HD1:sc= -0.518 F(o=-1.7,f=-0.52) USER MOD Single : A 134 SER OG : rot -35:sc= 0.143 USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 HIS : no HD1:sc= -0.373 X(o=-0.37,f=-0.16) USER MOD Single : B 144 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 147 SER OG : rot -130:sc= -0.321 USER MOD Single : B 148 THR OG1 : rot 180:sc= 0.0117 USER MOD Single : B 154 LYS NZ :NH3+ -173:sc= 1.06 (180deg=0.914) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 35 -29.416 -7.575 -11.463 1.00 10.47 N ATOM 2 CA GLY A 35 -30.883 -7.665 -11.645 1.00 10.20 C ATOM 3 C GLY A 35 -31.528 -6.291 -11.689 1.00 9.66 C ATOM 4 O GLY A 35 -30.985 -5.378 -12.309 1.00 9.43 O ATOM 0 HA2 GLY A 35 -31.103 -8.200 -12.569 1.00 10.20 H new ATOM 0 HA3 GLY A 35 -31.316 -8.245 -10.830 1.00 10.20 H new ATOM 10 N PRO A 36 -32.682 -6.101 -11.025 1.00 9.71 N ATOM 11 CA PRO A 36 -33.396 -4.823 -11.030 1.00 9.54 C ATOM 12 C PRO A 36 -32.865 -3.834 -9.989 1.00 8.72 C ATOM 13 O PRO A 36 -33.351 -2.706 -9.890 1.00 8.72 O ATOM 14 CB PRO A 36 -34.826 -5.246 -10.696 1.00 10.19 C ATOM 15 CG PRO A 36 -34.669 -6.430 -9.804 1.00 10.45 C ATOM 16 CD PRO A 36 -33.392 -7.120 -10.226 1.00 10.21 C ATOM 0 HA PRO A 36 -33.290 -4.294 -11.977 1.00 9.54 H new ATOM 0 HB2 PRO A 36 -35.371 -4.444 -10.198 1.00 10.19 H new ATOM 0 HB3 PRO A 36 -35.385 -5.500 -11.597 1.00 10.19 H new ATOM 0 HG2 PRO A 36 -34.617 -6.124 -8.759 1.00 10.45 H new ATOM 0 HG3 PRO A 36 -35.522 -7.102 -9.898 1.00 10.45 H new ATOM 0 HD2 PRO A 36 -32.803 -7.432 -9.363 1.00 10.21 H new ATOM 0 HD3 PRO A 36 -33.597 -8.015 -10.813 1.00 10.21 H new ATOM 24 N LEU A 37 -31.864 -4.250 -9.223 1.00 8.27 N ATOM 25 CA LEU A 37 -31.306 -3.406 -8.174 1.00 7.70 C ATOM 26 C LEU A 37 -29.850 -3.075 -8.471 1.00 6.80 C ATOM 27 O LEU A 37 -28.998 -3.963 -8.487 1.00 6.86 O ATOM 28 CB LEU A 37 -31.422 -4.098 -6.811 1.00 8.14 C ATOM 29 CG LEU A 37 -32.849 -4.436 -6.376 1.00 8.66 C ATOM 30 CD1 LEU A 37 -32.839 -5.134 -5.026 1.00 9.09 C ATOM 31 CD2 LEU A 37 -33.702 -3.176 -6.322 1.00 9.01 C ATOM 0 H LEU A 37 -31.422 -5.166 -9.308 1.00 8.27 H new ATOM 0 HA LEU A 37 -31.875 -2.477 -8.145 1.00 7.70 H new ATOM 0 HB2 LEU A 37 -30.839 -5.018 -6.837 1.00 8.14 H new ATOM 0 HB3 LEU A 37 -30.970 -3.456 -6.055 1.00 8.14 H new ATOM 0 HG LEU A 37 -33.285 -5.113 -7.111 1.00 8.66 H new ATOM 0 HD11 LEU A 37 -33.862 -5.368 -4.730 1.00 9.09 H new ATOM 0 HD12 LEU A 37 -32.262 -6.056 -5.097 1.00 9.09 H new ATOM 0 HD13 LEU A 37 -32.386 -4.479 -4.281 1.00 9.09 H new ATOM 0 HD21 LEU A 37 -34.714 -3.435 -6.011 1.00 9.01 H new ATOM 0 HD22 LEU A 37 -33.271 -2.475 -5.607 1.00 9.01 H new ATOM 0 HD23 LEU A 37 -33.733 -2.715 -7.309 1.00 9.01 H new ATOM 43 N GLY A 38 -29.573 -1.806 -8.725 1.00 6.24 N ATOM 44 CA GLY A 38 -28.215 -1.391 -9.025 1.00 5.56 C ATOM 45 C GLY A 38 -27.400 -1.171 -7.769 1.00 5.01 C ATOM 46 O GLY A 38 -27.602 -0.187 -7.059 1.00 5.18 O ATOM 0 H GLY A 38 -30.262 -1.054 -8.729 1.00 6.24 H new ATOM 0 HA2 GLY A 38 -27.732 -2.148 -9.643 1.00 5.56 H new ATOM 0 HA3 GLY A 38 -28.237 -0.471 -9.609 1.00 5.56 H new ATOM 50 N SER A 39 -26.492 -2.090 -7.484 1.00 4.73 N ATOM 51 CA SER A 39 -25.662 -1.997 -6.295 1.00 4.60 C ATOM 52 C SER A 39 -24.205 -2.270 -6.656 1.00 4.02 C ATOM 53 O SER A 39 -23.880 -3.344 -7.168 1.00 4.46 O ATOM 54 CB SER A 39 -26.150 -2.998 -5.241 1.00 5.37 C ATOM 55 OG SER A 39 -25.565 -2.746 -3.972 1.00 5.98 O ATOM 0 H SER A 39 -26.311 -2.911 -8.062 1.00 4.73 H new ATOM 0 HA SER A 39 -25.736 -0.991 -5.882 1.00 4.60 H new ATOM 0 HB2 SER A 39 -27.236 -2.942 -5.160 1.00 5.37 H new ATOM 0 HB3 SER A 39 -25.906 -4.011 -5.560 1.00 5.37 H new ATOM 0 HG SER A 39 -25.898 -3.400 -3.323 1.00 5.98 H new ATOM 61 N ASP A 40 -23.336 -1.293 -6.418 1.00 3.29 N ATOM 62 CA ASP A 40 -21.917 -1.444 -6.735 1.00 2.92 C ATOM 63 C ASP A 40 -21.215 -2.306 -5.697 1.00 2.66 C ATOM 64 O ASP A 40 -20.783 -1.812 -4.652 1.00 2.56 O ATOM 65 CB ASP A 40 -21.201 -0.088 -6.820 1.00 2.80 C ATOM 66 CG ASP A 40 -21.506 0.686 -8.089 1.00 3.36 C ATOM 67 OD1 ASP A 40 -21.219 0.161 -9.186 1.00 3.92 O ATOM 68 OD2 ASP A 40 -22.076 1.800 -7.995 1.00 3.69 O ATOM 0 H ASP A 40 -23.586 -0.392 -6.009 1.00 3.29 H new ATOM 0 HA ASP A 40 -21.867 -1.929 -7.710 1.00 2.92 H new ATOM 0 HB2 ASP A 40 -21.485 0.517 -5.959 1.00 2.80 H new ATOM 0 HB3 ASP A 40 -20.125 -0.251 -6.754 1.00 2.80 H new ATOM 73 N ASP A 41 -21.119 -3.596 -5.971 1.00 2.83 N ATOM 74 CA ASP A 41 -20.331 -4.484 -5.140 1.00 2.71 C ATOM 75 C ASP A 41 -18.898 -4.492 -5.636 1.00 2.19 C ATOM 76 O ASP A 41 -18.546 -5.191 -6.588 1.00 2.35 O ATOM 77 CB ASP A 41 -20.902 -5.906 -5.103 1.00 3.35 C ATOM 78 CG ASP A 41 -21.054 -6.546 -6.471 1.00 4.28 C ATOM 79 OD1 ASP A 41 -21.863 -6.050 -7.283 1.00 4.57 O ATOM 80 OD2 ASP A 41 -20.385 -7.576 -6.724 1.00 4.94 O ATOM 0 H ASP A 41 -21.577 -4.049 -6.762 1.00 2.83 H new ATOM 0 HA ASP A 41 -20.365 -4.110 -4.117 1.00 2.71 H new ATOM 0 HB2 ASP A 41 -20.252 -6.532 -4.491 1.00 3.35 H new ATOM 0 HB3 ASP A 41 -21.876 -5.883 -4.614 1.00 3.35 H new ATOM 85 N VAL A 42 -18.079 -3.675 -5.010 1.00 1.81 N ATOM 86 CA VAL A 42 -16.717 -3.513 -5.454 1.00 1.43 C ATOM 87 C VAL A 42 -15.849 -4.694 -5.035 1.00 1.36 C ATOM 88 O VAL A 42 -15.763 -5.046 -3.856 1.00 1.49 O ATOM 89 CB VAL A 42 -16.111 -2.182 -4.954 1.00 1.33 C ATOM 90 CG1 VAL A 42 -16.834 -1.001 -5.585 1.00 1.99 C ATOM 91 CG2 VAL A 42 -16.172 -2.079 -3.437 1.00 1.85 C ATOM 0 H VAL A 42 -18.333 -3.116 -4.196 1.00 1.81 H new ATOM 0 HA VAL A 42 -16.737 -3.482 -6.543 1.00 1.43 H new ATOM 0 HB VAL A 42 -15.063 -2.162 -5.253 1.00 1.33 H new ATOM 0 HG11 VAL A 42 -16.396 -0.071 -5.223 1.00 1.99 H new ATOM 0 HG12 VAL A 42 -16.735 -1.051 -6.669 1.00 1.99 H new ATOM 0 HG13 VAL A 42 -17.890 -1.034 -5.315 1.00 1.99 H new ATOM 0 HG21 VAL A 42 -15.738 -1.131 -3.119 1.00 1.85 H new ATOM 0 HG22 VAL A 42 -17.211 -2.130 -3.110 1.00 1.85 H new ATOM 0 HG23 VAL A 42 -15.611 -2.902 -2.994 1.00 1.85 H new ATOM 101 N GLU A 43 -15.232 -5.320 -6.022 1.00 1.39 N ATOM 102 CA GLU A 43 -14.360 -6.452 -5.782 1.00 1.41 C ATOM 103 C GLU A 43 -12.931 -5.966 -5.596 1.00 1.08 C ATOM 104 O GLU A 43 -12.376 -5.291 -6.465 1.00 1.03 O ATOM 105 CB GLU A 43 -14.441 -7.445 -6.948 1.00 1.71 C ATOM 106 CG GLU A 43 -15.851 -7.942 -7.226 1.00 1.90 C ATOM 107 CD GLU A 43 -15.892 -9.007 -8.299 1.00 1.92 C ATOM 108 OE1 GLU A 43 -15.770 -8.662 -9.495 1.00 1.86 O ATOM 109 OE2 GLU A 43 -16.056 -10.195 -7.952 1.00 2.40 O ATOM 0 H GLU A 43 -15.321 -5.059 -7.004 1.00 1.39 H new ATOM 0 HA GLU A 43 -14.682 -6.964 -4.875 1.00 1.41 H new ATOM 0 HB2 GLU A 43 -14.048 -6.970 -7.847 1.00 1.71 H new ATOM 0 HB3 GLU A 43 -13.799 -8.299 -6.732 1.00 1.71 H new ATOM 0 HG2 GLU A 43 -16.279 -8.341 -6.307 1.00 1.90 H new ATOM 0 HG3 GLU A 43 -16.475 -7.102 -7.530 1.00 1.90 H new ATOM 116 N TRP A 44 -12.352 -6.280 -4.447 1.00 0.96 N ATOM 117 CA TRP A 44 -10.980 -5.905 -4.165 1.00 0.76 C ATOM 118 C TRP A 44 -10.046 -6.798 -4.967 1.00 0.61 C ATOM 119 O TRP A 44 -9.810 -7.952 -4.609 1.00 0.62 O ATOM 120 CB TRP A 44 -10.696 -6.023 -2.666 1.00 0.89 C ATOM 121 CG TRP A 44 -9.763 -4.979 -2.148 1.00 0.64 C ATOM 122 CD1 TRP A 44 -9.969 -3.631 -2.155 1.00 0.60 C ATOM 123 CD2 TRP A 44 -8.496 -5.191 -1.517 1.00 0.59 C ATOM 124 NE1 TRP A 44 -8.896 -2.990 -1.589 1.00 0.60 N ATOM 125 CE2 TRP A 44 -7.981 -3.925 -1.188 1.00 0.53 C ATOM 126 CE3 TRP A 44 -7.743 -6.326 -1.211 1.00 0.76 C ATOM 127 CZ2 TRP A 44 -6.751 -3.762 -0.560 1.00 0.63 C ATOM 128 CZ3 TRP A 44 -6.524 -6.164 -0.584 1.00 0.77 C ATOM 129 CH2 TRP A 44 -6.036 -4.892 -0.269 1.00 0.69 C ATOM 0 H TRP A 44 -12.813 -6.794 -3.696 1.00 0.96 H new ATOM 0 HA TRP A 44 -10.815 -4.867 -4.455 1.00 0.76 H new ATOM 0 HB2 TRP A 44 -11.638 -5.959 -2.121 1.00 0.89 H new ATOM 0 HB3 TRP A 44 -10.275 -7.007 -2.461 1.00 0.89 H new ATOM 0 HD1 TRP A 44 -10.847 -3.140 -2.548 1.00 0.60 H new ATOM 0 HE1 TRP A 44 -8.797 -1.980 -1.484 1.00 0.60 H new ATOM 0 HE3 TRP A 44 -8.107 -7.312 -1.460 1.00 0.76 H new ATOM 0 HZ2 TRP A 44 -6.374 -2.781 -0.311 1.00 0.63 H new ATOM 0 HZ3 TRP A 44 -5.937 -7.035 -0.332 1.00 0.77 H new ATOM 0 HH2 TRP A 44 -5.075 -4.799 0.214 1.00 0.69 H new ATOM 140 N VAL A 45 -9.528 -6.258 -6.064 1.00 0.60 N ATOM 141 CA VAL A 45 -8.740 -7.035 -7.020 1.00 0.57 C ATOM 142 C VAL A 45 -7.458 -7.591 -6.402 1.00 0.54 C ATOM 143 O VAL A 45 -6.815 -8.475 -6.971 1.00 0.67 O ATOM 144 CB VAL A 45 -8.381 -6.201 -8.272 1.00 0.67 C ATOM 145 CG1 VAL A 45 -9.636 -5.664 -8.938 1.00 1.01 C ATOM 146 CG2 VAL A 45 -7.422 -5.066 -7.930 1.00 1.33 C ATOM 0 H VAL A 45 -9.640 -5.276 -6.317 1.00 0.60 H new ATOM 0 HA VAL A 45 -9.371 -7.873 -7.315 1.00 0.57 H new ATOM 0 HB VAL A 45 -7.874 -6.861 -8.975 1.00 0.67 H new ATOM 0 HG11 VAL A 45 -9.360 -5.080 -9.816 1.00 1.01 H new ATOM 0 HG12 VAL A 45 -10.272 -6.496 -9.240 1.00 1.01 H new ATOM 0 HG13 VAL A 45 -10.177 -5.030 -8.236 1.00 1.01 H new ATOM 0 HG21 VAL A 45 -7.191 -4.500 -8.833 1.00 1.33 H new ATOM 0 HG22 VAL A 45 -7.886 -4.406 -7.197 1.00 1.33 H new ATOM 0 HG23 VAL A 45 -6.502 -5.479 -7.515 1.00 1.33 H new ATOM 156 N VAL A 46 -7.091 -7.078 -5.237 1.00 0.43 N ATOM 157 CA VAL A 46 -5.888 -7.521 -4.552 1.00 0.40 C ATOM 158 C VAL A 46 -6.213 -8.677 -3.606 1.00 0.46 C ATOM 159 O VAL A 46 -5.322 -9.363 -3.113 1.00 0.53 O ATOM 160 CB VAL A 46 -5.241 -6.356 -3.765 1.00 0.37 C ATOM 161 CG1 VAL A 46 -3.862 -6.737 -3.257 1.00 0.43 C ATOM 162 CG2 VAL A 46 -5.168 -5.104 -4.627 1.00 0.41 C ATOM 0 H VAL A 46 -7.612 -6.352 -4.746 1.00 0.43 H new ATOM 0 HA VAL A 46 -5.176 -7.866 -5.302 1.00 0.40 H new ATOM 0 HB VAL A 46 -5.870 -6.145 -2.900 1.00 0.37 H new ATOM 0 HG11 VAL A 46 -3.432 -5.899 -2.708 1.00 0.43 H new ATOM 0 HG12 VAL A 46 -3.943 -7.600 -2.596 1.00 0.43 H new ATOM 0 HG13 VAL A 46 -3.219 -6.986 -4.101 1.00 0.43 H new ATOM 0 HG21 VAL A 46 -4.710 -4.296 -4.057 1.00 0.41 H new ATOM 0 HG22 VAL A 46 -4.568 -5.307 -5.514 1.00 0.41 H new ATOM 0 HG23 VAL A 46 -6.174 -4.811 -4.929 1.00 0.41 H new ATOM 172 N GLY A 47 -7.505 -8.915 -3.397 1.00 0.51 N ATOM 173 CA GLY A 47 -7.939 -9.972 -2.502 1.00 0.59 C ATOM 174 C GLY A 47 -7.672 -11.357 -3.060 1.00 0.65 C ATOM 175 O GLY A 47 -7.797 -12.353 -2.349 1.00 0.78 O ATOM 0 H GLY A 47 -8.263 -8.391 -3.835 1.00 0.51 H new ATOM 0 HA2 GLY A 47 -7.428 -9.865 -1.545 1.00 0.59 H new ATOM 0 HA3 GLY A 47 -9.006 -9.863 -2.307 1.00 0.59 H new ATOM 179 N LYS A 48 -7.297 -11.418 -4.331 1.00 0.66 N ATOM 180 CA LYS A 48 -6.996 -12.691 -4.973 1.00 0.79 C ATOM 181 C LYS A 48 -5.638 -13.205 -4.522 1.00 0.73 C ATOM 182 O LYS A 48 -5.391 -14.412 -4.499 1.00 0.86 O ATOM 183 CB LYS A 48 -6.979 -12.550 -6.494 1.00 0.94 C ATOM 184 CG LYS A 48 -8.198 -11.865 -7.084 1.00 1.18 C ATOM 185 CD LYS A 48 -8.247 -12.055 -8.592 1.00 1.81 C ATOM 186 CE LYS A 48 -7.008 -11.488 -9.271 1.00 2.64 C ATOM 187 NZ LYS A 48 -6.827 -12.036 -10.641 1.00 3.22 N ATOM 0 H LYS A 48 -7.194 -10.604 -4.936 1.00 0.66 H new ATOM 0 HA LYS A 48 -7.777 -13.394 -4.684 1.00 0.79 H new ATOM 0 HB2 LYS A 48 -6.090 -11.990 -6.783 1.00 0.94 H new ATOM 0 HB3 LYS A 48 -6.888 -13.542 -6.936 1.00 0.94 H new ATOM 0 HG2 LYS A 48 -9.103 -12.271 -6.632 1.00 1.18 H new ATOM 0 HG3 LYS A 48 -8.173 -10.801 -6.848 1.00 1.18 H new ATOM 0 HD2 LYS A 48 -8.335 -13.117 -8.822 1.00 1.81 H new ATOM 0 HD3 LYS A 48 -9.136 -11.568 -8.992 1.00 1.81 H new ATOM 0 HE2 LYS A 48 -7.087 -10.402 -9.322 1.00 2.64 H new ATOM 0 HE3 LYS A 48 -6.128 -11.716 -8.670 1.00 2.64 H new ATOM 0 HZ1 LYS A 48 -5.973 -11.625 -11.069 1.00 3.22 H new ATOM 0 HZ2 LYS A 48 -6.726 -13.070 -10.591 1.00 3.22 H new ATOM 0 HZ3 LYS A 48 -7.655 -11.797 -11.223 1.00 3.22 H new ATOM 201 N ASP A 49 -4.769 -12.275 -4.161 1.00 0.61 N ATOM 202 CA ASP A 49 -3.399 -12.604 -3.801 1.00 0.65 C ATOM 203 C ASP A 49 -3.064 -11.969 -2.452 1.00 0.53 C ATOM 204 O ASP A 49 -1.923 -11.610 -2.167 1.00 0.60 O ATOM 205 CB ASP A 49 -2.474 -12.087 -4.909 1.00 0.80 C ATOM 206 CG ASP A 49 -1.052 -12.610 -4.821 1.00 1.61 C ATOM 207 OD1 ASP A 49 -0.860 -13.771 -4.405 1.00 2.39 O ATOM 208 OD2 ASP A 49 -0.123 -11.854 -5.194 1.00 1.93 O ATOM 0 H ASP A 49 -4.990 -11.281 -4.109 1.00 0.61 H new ATOM 0 HA ASP A 49 -3.267 -13.682 -3.705 1.00 0.65 H new ATOM 0 HB2 ASP A 49 -2.893 -12.364 -5.876 1.00 0.80 H new ATOM 0 HB3 ASP A 49 -2.452 -10.998 -4.871 1.00 0.80 H new ATOM 213 N LYS A 50 -4.078 -11.907 -1.597 1.00 0.43 N ATOM 214 CA LYS A 50 -3.949 -11.317 -0.269 1.00 0.39 C ATOM 215 C LYS A 50 -3.093 -12.178 0.653 1.00 0.32 C ATOM 216 O LYS A 50 -2.145 -11.678 1.255 1.00 0.29 O ATOM 217 CB LYS A 50 -5.329 -11.096 0.364 1.00 0.50 C ATOM 218 CG LYS A 50 -5.813 -9.656 0.313 1.00 0.74 C ATOM 219 CD LYS A 50 -4.824 -8.706 0.976 1.00 0.72 C ATOM 220 CE LYS A 50 -4.575 -9.059 2.437 1.00 0.80 C ATOM 221 NZ LYS A 50 -5.769 -8.818 3.288 1.00 1.17 N ATOM 0 H LYS A 50 -5.011 -12.263 -1.804 1.00 0.43 H new ATOM 0 HA LYS A 50 -3.452 -10.355 -0.394 1.00 0.39 H new ATOM 0 HB2 LYS A 50 -6.055 -11.730 -0.144 1.00 0.50 H new ATOM 0 HB3 LYS A 50 -5.296 -11.420 1.404 1.00 0.50 H new ATOM 0 HG2 LYS A 50 -5.963 -9.359 -0.725 1.00 0.74 H new ATOM 0 HG3 LYS A 50 -6.780 -9.579 0.810 1.00 0.74 H new ATOM 0 HD2 LYS A 50 -3.880 -8.731 0.432 1.00 0.72 H new ATOM 0 HD3 LYS A 50 -5.203 -7.686 0.910 1.00 0.72 H new ATOM 0 HE2 LYS A 50 -4.285 -10.107 2.511 1.00 0.80 H new ATOM 0 HE3 LYS A 50 -3.739 -8.470 2.813 1.00 0.80 H new ATOM 0 HZ1 LYS A 50 -5.466 -8.623 4.264 1.00 1.17 H new ATOM 0 HZ2 LYS A 50 -6.299 -8.002 2.920 1.00 1.17 H new ATOM 0 HZ3 LYS A 50 -6.379 -9.660 3.277 1.00 1.17 H new ATOM 235 N PRO A 51 -3.407 -13.485 0.789 1.00 0.34 N ATOM 236 CA PRO A 51 -2.676 -14.371 1.705 1.00 0.33 C ATOM 237 C PRO A 51 -1.182 -14.430 1.434 1.00 0.29 C ATOM 238 O PRO A 51 -0.385 -14.743 2.320 1.00 0.29 O ATOM 239 CB PRO A 51 -3.279 -15.733 1.442 1.00 0.45 C ATOM 240 CG PRO A 51 -4.630 -15.473 0.884 1.00 0.65 C ATOM 241 CD PRO A 51 -4.503 -14.205 0.099 1.00 0.44 C ATOM 0 HA PRO A 51 -2.768 -14.017 2.732 1.00 0.33 H new ATOM 0 HB2 PRO A 51 -2.669 -16.303 0.741 1.00 0.45 H new ATOM 0 HB3 PRO A 51 -3.340 -16.318 2.360 1.00 0.45 H new ATOM 0 HG2 PRO A 51 -4.957 -16.296 0.249 1.00 0.65 H new ATOM 0 HG3 PRO A 51 -5.369 -15.370 1.678 1.00 0.65 H new ATOM 0 HD2 PRO A 51 -4.260 -14.401 -0.945 1.00 0.44 H new ATOM 0 HD3 PRO A 51 -5.430 -13.631 0.109 1.00 0.44 H new ATOM 249 N THR A 52 -0.814 -14.137 0.208 1.00 0.29 N ATOM 250 CA THR A 52 0.571 -14.121 -0.197 1.00 0.28 C ATOM 251 C THR A 52 1.293 -12.951 0.467 1.00 0.25 C ATOM 252 O THR A 52 2.377 -13.107 1.048 1.00 0.25 O ATOM 253 CB THR A 52 0.633 -13.977 -1.721 1.00 0.33 C ATOM 254 OG1 THR A 52 0.077 -15.137 -2.351 1.00 0.45 O ATOM 255 CG2 THR A 52 2.053 -13.741 -2.218 1.00 0.40 C ATOM 0 H THR A 52 -1.469 -13.903 -0.538 1.00 0.29 H new ATOM 0 HA THR A 52 1.058 -15.047 0.108 1.00 0.28 H new ATOM 0 HB THR A 52 0.043 -13.100 -1.989 1.00 0.33 H new ATOM 0 HG1 THR A 52 -0.274 -14.894 -3.233 1.00 0.45 H new ATOM 0 HG21 THR A 52 2.047 -13.645 -3.304 1.00 0.40 H new ATOM 0 HG22 THR A 52 2.446 -12.826 -1.775 1.00 0.40 H new ATOM 0 HG23 THR A 52 2.683 -14.583 -1.931 1.00 0.40 H new ATOM 263 N TYR A 53 0.656 -11.788 0.432 1.00 0.25 N ATOM 264 CA TYR A 53 1.230 -10.602 1.036 1.00 0.25 C ATOM 265 C TYR A 53 1.119 -10.702 2.548 1.00 0.22 C ATOM 266 O TYR A 53 1.868 -10.066 3.273 1.00 0.21 O ATOM 267 CB TYR A 53 0.520 -9.336 0.547 1.00 0.28 C ATOM 268 CG TYR A 53 0.302 -9.280 -0.953 1.00 0.34 C ATOM 269 CD1 TYR A 53 1.269 -9.729 -1.847 1.00 0.44 C ATOM 270 CD2 TYR A 53 -0.882 -8.778 -1.477 1.00 0.49 C ATOM 271 CE1 TYR A 53 1.057 -9.673 -3.214 1.00 0.53 C ATOM 272 CE2 TYR A 53 -1.096 -8.717 -2.839 1.00 0.59 C ATOM 273 CZ TYR A 53 -0.130 -9.169 -3.701 1.00 0.56 C ATOM 274 OH TYR A 53 -0.354 -9.126 -5.057 1.00 0.70 O ATOM 0 H TYR A 53 -0.254 -11.645 -0.007 1.00 0.25 H new ATOM 0 HA TYR A 53 2.278 -10.537 0.745 1.00 0.25 H new ATOM 0 HB2 TYR A 53 -0.446 -9.260 1.045 1.00 0.28 H new ATOM 0 HB3 TYR A 53 1.104 -8.467 0.850 1.00 0.28 H new ATOM 0 HD1 TYR A 53 2.199 -10.127 -1.469 1.00 0.44 H new ATOM 0 HD2 TYR A 53 -1.651 -8.428 -0.805 1.00 0.49 H new ATOM 0 HE1 TYR A 53 1.818 -10.023 -3.896 1.00 0.53 H new ATOM 0 HE2 TYR A 53 -2.021 -8.315 -3.225 1.00 0.59 H new ATOM 0 HH TYR A 53 -0.328 -10.035 -5.422 1.00 0.70 H new ATOM 284 N ASP A 54 0.189 -11.532 3.003 1.00 0.23 N ATOM 285 CA ASP A 54 0.022 -11.822 4.426 1.00 0.24 C ATOM 286 C ASP A 54 1.211 -12.629 4.943 1.00 0.21 C ATOM 287 O ASP A 54 1.763 -12.338 6.007 1.00 0.22 O ATOM 288 CB ASP A 54 -1.285 -12.595 4.641 1.00 0.29 C ATOM 289 CG ASP A 54 -1.412 -13.192 6.031 1.00 0.50 C ATOM 290 OD1 ASP A 54 -0.922 -14.320 6.248 1.00 0.63 O ATOM 291 OD2 ASP A 54 -1.974 -12.513 6.919 1.00 0.73 O ATOM 0 H ASP A 54 -0.471 -12.023 2.400 1.00 0.23 H new ATOM 0 HA ASP A 54 -0.024 -10.885 4.982 1.00 0.24 H new ATOM 0 HB2 ASP A 54 -2.127 -11.926 4.463 1.00 0.29 H new ATOM 0 HB3 ASP A 54 -1.351 -13.394 3.903 1.00 0.29 H new ATOM 296 N GLU A 55 1.613 -13.633 4.167 1.00 0.23 N ATOM 297 CA GLU A 55 2.776 -14.446 4.498 1.00 0.25 C ATOM 298 C GLU A 55 4.026 -13.568 4.570 1.00 0.24 C ATOM 299 O GLU A 55 4.833 -13.682 5.494 1.00 0.30 O ATOM 300 CB GLU A 55 2.958 -15.545 3.445 1.00 0.32 C ATOM 301 CG GLU A 55 4.107 -16.503 3.731 1.00 0.41 C ATOM 302 CD GLU A 55 3.865 -17.374 4.947 1.00 1.13 C ATOM 303 OE1 GLU A 55 3.036 -18.304 4.865 1.00 1.86 O ATOM 304 OE2 GLU A 55 4.485 -17.113 6.002 1.00 1.66 O ATOM 0 H GLU A 55 1.146 -13.902 3.301 1.00 0.23 H new ATOM 0 HA GLU A 55 2.621 -14.912 5.471 1.00 0.25 H new ATOM 0 HB2 GLU A 55 2.033 -16.117 3.370 1.00 0.32 H new ATOM 0 HB3 GLU A 55 3.123 -15.078 2.474 1.00 0.32 H new ATOM 0 HG2 GLU A 55 4.266 -17.140 2.861 1.00 0.41 H new ATOM 0 HG3 GLU A 55 5.022 -15.930 3.878 1.00 0.41 H new ATOM 311 N ILE A 56 4.171 -12.676 3.596 1.00 0.22 N ATOM 312 CA ILE A 56 5.292 -11.742 3.580 1.00 0.24 C ATOM 313 C ILE A 56 5.158 -10.721 4.716 1.00 0.24 C ATOM 314 O ILE A 56 6.143 -10.334 5.342 1.00 0.27 O ATOM 315 CB ILE A 56 5.386 -11.004 2.225 1.00 0.27 C ATOM 316 CG1 ILE A 56 5.462 -12.011 1.073 1.00 0.29 C ATOM 317 CG2 ILE A 56 6.603 -10.090 2.205 1.00 0.31 C ATOM 318 CD1 ILE A 56 5.463 -11.372 -0.304 1.00 0.32 C ATOM 0 H ILE A 56 3.529 -12.580 2.809 1.00 0.22 H new ATOM 0 HA ILE A 56 6.205 -12.320 3.723 1.00 0.24 H new ATOM 0 HB ILE A 56 4.490 -10.397 2.098 1.00 0.27 H new ATOM 0 HG12 ILE A 56 6.366 -12.609 1.186 1.00 0.29 H new ATOM 0 HG13 ILE A 56 4.616 -12.695 1.145 1.00 0.29 H new ATOM 0 HG21 ILE A 56 6.657 -9.577 1.245 1.00 0.31 H new ATOM 0 HG22 ILE A 56 6.519 -9.355 3.005 1.00 0.31 H new ATOM 0 HG23 ILE A 56 7.506 -10.683 2.350 1.00 0.31 H new ATOM 0 HD11 ILE A 56 5.519 -12.150 -1.066 1.00 0.32 H new ATOM 0 HD12 ILE A 56 4.547 -10.797 -0.439 1.00 0.32 H new ATOM 0 HD13 ILE A 56 6.324 -10.710 -0.397 1.00 0.32 H new ATOM 330 N PHE A 57 3.921 -10.320 4.984 1.00 0.22 N ATOM 331 CA PHE A 57 3.612 -9.328 6.013 1.00 0.23 C ATOM 332 C PHE A 57 4.094 -9.795 7.382 1.00 0.26 C ATOM 333 O PHE A 57 4.827 -9.087 8.075 1.00 0.29 O ATOM 334 CB PHE A 57 2.097 -9.097 6.048 1.00 0.23 C ATOM 335 CG PHE A 57 1.659 -7.927 6.873 1.00 0.26 C ATOM 336 CD1 PHE A 57 1.709 -6.641 6.366 1.00 0.27 C ATOM 337 CD2 PHE A 57 1.215 -8.117 8.166 1.00 0.35 C ATOM 338 CE1 PHE A 57 1.319 -5.565 7.137 1.00 0.30 C ATOM 339 CE2 PHE A 57 0.824 -7.049 8.940 1.00 0.39 C ATOM 340 CZ PHE A 57 0.823 -5.753 8.374 1.00 0.34 C ATOM 0 H PHE A 57 3.100 -10.673 4.493 1.00 0.22 H new ATOM 0 HA PHE A 57 4.126 -8.398 5.771 1.00 0.23 H new ATOM 0 HB2 PHE A 57 1.741 -8.957 5.027 1.00 0.23 H new ATOM 0 HB3 PHE A 57 1.615 -9.996 6.433 1.00 0.23 H new ATOM 0 HD1 PHE A 57 2.057 -6.477 5.357 1.00 0.27 H new ATOM 0 HD2 PHE A 57 1.174 -9.116 8.575 1.00 0.35 H new ATOM 0 HE1 PHE A 57 1.413 -4.563 6.744 1.00 0.30 H new ATOM 0 HE2 PHE A 57 0.522 -7.198 9.966 1.00 0.39 H new ATOM 0 HZ PHE A 57 0.426 -4.918 8.932 1.00 0.34 H new ATOM 350 N TYR A 58 3.698 -11.002 7.755 1.00 0.33 N ATOM 351 CA TYR A 58 3.998 -11.526 9.081 1.00 0.40 C ATOM 352 C TYR A 58 5.444 -11.995 9.212 1.00 0.44 C ATOM 353 O TYR A 58 5.917 -12.247 10.320 1.00 0.62 O ATOM 354 CB TYR A 58 3.026 -12.651 9.448 1.00 0.46 C ATOM 355 CG TYR A 58 1.682 -12.135 9.914 1.00 0.53 C ATOM 356 CD1 TYR A 58 0.765 -11.625 9.005 1.00 0.60 C ATOM 357 CD2 TYR A 58 1.324 -12.172 11.256 1.00 0.77 C ATOM 358 CE1 TYR A 58 -0.471 -11.164 9.419 1.00 0.71 C ATOM 359 CE2 TYR A 58 0.089 -11.718 11.678 1.00 0.87 C ATOM 360 CZ TYR A 58 -0.774 -11.161 10.789 1.00 0.78 C ATOM 361 OH TYR A 58 -2.039 -10.764 11.172 1.00 0.91 O ATOM 0 H TYR A 58 3.168 -11.638 7.159 1.00 0.33 H new ATOM 0 HA TYR A 58 3.869 -10.704 9.785 1.00 0.40 H new ATOM 0 HB2 TYR A 58 2.882 -13.297 8.582 1.00 0.46 H new ATOM 0 HB3 TYR A 58 3.467 -13.264 10.234 1.00 0.46 H new ATOM 0 HD1 TYR A 58 1.021 -11.588 7.957 1.00 0.60 H new ATOM 0 HD2 TYR A 58 2.023 -12.562 11.981 1.00 0.77 H new ATOM 0 HE1 TYR A 58 -1.193 -10.811 8.698 1.00 0.71 H new ATOM 0 HE2 TYR A 58 -0.191 -11.806 12.717 1.00 0.87 H new ATOM 0 HH TYR A 58 -2.115 -10.810 12.148 1.00 0.91 H new ATOM 371 N THR A 59 6.155 -12.093 8.099 1.00 0.40 N ATOM 372 CA THR A 59 7.563 -12.456 8.146 1.00 0.45 C ATOM 373 C THR A 59 8.444 -11.209 8.180 1.00 0.48 C ATOM 374 O THR A 59 9.673 -11.298 8.192 1.00 0.56 O ATOM 375 CB THR A 59 7.966 -13.374 6.970 1.00 0.49 C ATOM 376 OG1 THR A 59 7.436 -12.874 5.736 1.00 0.48 O ATOM 377 CG2 THR A 59 7.469 -14.791 7.200 1.00 0.58 C ATOM 0 H THR A 59 5.786 -11.928 7.163 1.00 0.40 H new ATOM 0 HA THR A 59 7.718 -13.019 9.066 1.00 0.45 H new ATOM 0 HB THR A 59 9.054 -13.386 6.912 1.00 0.49 H new ATOM 0 HG1 THR A 59 6.486 -13.106 5.670 1.00 0.48 H new ATOM 0 HG21 THR A 59 7.763 -15.421 6.360 1.00 0.58 H new ATOM 0 HG22 THR A 59 7.904 -15.185 8.119 1.00 0.58 H new ATOM 0 HG23 THR A 59 6.382 -14.786 7.286 1.00 0.58 H new ATOM 385 N LEU A 60 7.803 -10.042 8.224 1.00 0.48 N ATOM 386 CA LEU A 60 8.524 -8.779 8.348 1.00 0.56 C ATOM 387 C LEU A 60 8.472 -8.277 9.786 1.00 0.61 C ATOM 388 O LEU A 60 9.023 -7.222 10.101 1.00 0.71 O ATOM 389 CB LEU A 60 7.938 -7.721 7.408 1.00 0.64 C ATOM 390 CG LEU A 60 8.137 -7.984 5.912 1.00 0.42 C ATOM 391 CD1 LEU A 60 7.493 -6.880 5.092 1.00 0.86 C ATOM 392 CD2 LEU A 60 9.619 -8.098 5.577 1.00 1.17 C ATOM 0 H LEU A 60 6.789 -9.946 8.176 1.00 0.48 H new ATOM 0 HA LEU A 60 9.563 -8.956 8.069 1.00 0.56 H new ATOM 0 HB2 LEU A 60 6.869 -7.637 7.605 1.00 0.64 H new ATOM 0 HB3 LEU A 60 8.384 -6.757 7.652 1.00 0.64 H new ATOM 0 HG LEU A 60 7.656 -8.930 5.663 1.00 0.42 H new ATOM 0 HD11 LEU A 60 7.643 -7.080 4.031 1.00 0.86 H new ATOM 0 HD12 LEU A 60 6.425 -6.843 5.307 1.00 0.86 H new ATOM 0 HD13 LEU A 60 7.948 -5.923 5.348 1.00 0.86 H new ATOM 0 HD21 LEU A 60 9.737 -8.285 4.510 1.00 1.17 H new ATOM 0 HD22 LEU A 60 10.124 -7.169 5.841 1.00 1.17 H new ATOM 0 HD23 LEU A 60 10.057 -8.922 6.140 1.00 1.17 H new ATOM 404 N SER A 61 7.825 -9.067 10.648 1.00 0.59 N ATOM 405 CA SER A 61 7.609 -8.715 12.056 1.00 0.66 C ATOM 406 C SER A 61 6.613 -7.556 12.189 1.00 0.70 C ATOM 407 O SER A 61 6.999 -6.387 12.276 1.00 0.78 O ATOM 408 CB SER A 61 8.933 -8.378 12.762 1.00 0.74 C ATOM 409 OG SER A 61 9.871 -9.435 12.622 1.00 1.14 O ATOM 0 H SER A 61 7.434 -9.973 10.388 1.00 0.59 H new ATOM 0 HA SER A 61 7.182 -9.589 12.548 1.00 0.66 H new ATOM 0 HB2 SER A 61 9.349 -7.461 12.344 1.00 0.74 H new ATOM 0 HB3 SER A 61 8.747 -8.190 13.820 1.00 0.74 H new ATOM 0 HG SER A 61 10.705 -9.195 13.078 1.00 1.14 H new ATOM 415 N PRO A 62 5.310 -7.876 12.196 1.00 0.67 N ATOM 416 CA PRO A 62 4.247 -6.885 12.296 1.00 0.71 C ATOM 417 C PRO A 62 3.916 -6.526 13.742 1.00 0.83 C ATOM 418 O PRO A 62 4.074 -7.342 14.653 1.00 1.10 O ATOM 419 CB PRO A 62 3.048 -7.579 11.632 1.00 0.72 C ATOM 420 CG PRO A 62 3.466 -8.996 11.361 1.00 0.68 C ATOM 421 CD PRO A 62 4.759 -9.227 12.093 1.00 0.65 C ATOM 0 HA PRO A 62 4.528 -5.942 11.827 1.00 0.71 H new ATOM 0 HB2 PRO A 62 2.175 -7.551 12.284 1.00 0.72 H new ATOM 0 HB3 PRO A 62 2.772 -7.073 10.707 1.00 0.72 H new ATOM 0 HG2 PRO A 62 2.701 -9.694 11.701 1.00 0.68 H new ATOM 0 HG3 PRO A 62 3.595 -9.161 10.291 1.00 0.68 H new ATOM 0 HD2 PRO A 62 4.596 -9.675 13.073 1.00 0.65 H new ATOM 0 HD3 PRO A 62 5.422 -9.895 11.544 1.00 0.65 H new ATOM 429 N VAL A 63 3.461 -5.301 13.946 1.00 0.70 N ATOM 430 CA VAL A 63 3.073 -4.835 15.266 1.00 0.79 C ATOM 431 C VAL A 63 1.659 -4.252 15.235 1.00 0.78 C ATOM 432 O VAL A 63 1.373 -3.320 14.485 1.00 0.72 O ATOM 433 CB VAL A 63 4.081 -3.797 15.819 1.00 0.83 C ATOM 434 CG1 VAL A 63 4.274 -2.631 14.854 1.00 1.60 C ATOM 435 CG2 VAL A 63 3.644 -3.299 17.189 1.00 1.66 C ATOM 0 H VAL A 63 3.351 -4.606 13.207 1.00 0.70 H new ATOM 0 HA VAL A 63 3.081 -5.693 15.938 1.00 0.79 H new ATOM 0 HB VAL A 63 5.044 -4.297 15.925 1.00 0.83 H new ATOM 0 HG11 VAL A 63 4.988 -1.924 15.276 1.00 1.60 H new ATOM 0 HG12 VAL A 63 4.653 -3.005 13.903 1.00 1.60 H new ATOM 0 HG13 VAL A 63 3.319 -2.130 14.693 1.00 1.60 H new ATOM 0 HG21 VAL A 63 4.366 -2.571 17.559 1.00 1.66 H new ATOM 0 HG22 VAL A 63 2.663 -2.830 17.110 1.00 1.66 H new ATOM 0 HG23 VAL A 63 3.589 -4.139 17.881 1.00 1.66 H new ATOM 445 N ASN A 64 0.767 -4.853 16.024 1.00 0.92 N ATOM 446 CA ASN A 64 -0.628 -4.413 16.125 1.00 1.00 C ATOM 447 C ASN A 64 -1.334 -4.496 14.774 1.00 0.91 C ATOM 448 O ASN A 64 -2.287 -3.763 14.517 1.00 0.97 O ATOM 449 CB ASN A 64 -0.725 -2.982 16.677 1.00 1.05 C ATOM 450 CG ASN A 64 -0.498 -2.896 18.179 1.00 1.25 C ATOM 451 OD1 ASN A 64 0.356 -3.755 18.708 1.00 1.98 O flip ATOM 452 ND2 ASN A 64 -1.088 -2.051 18.855 1.00 1.61 N flip ATOM 0 H ASN A 64 0.989 -5.657 16.611 1.00 0.92 H new ATOM 0 HA ASN A 64 -1.126 -5.088 16.821 1.00 1.00 H new ATOM 0 HB2 ASN A 64 0.008 -2.355 16.170 1.00 1.05 H new ATOM 0 HB3 ASN A 64 -1.709 -2.576 16.442 1.00 1.05 H new ATOM 0 HD21 ASN A 64 -1.740 -1.406 18.409 1.00 1.61 H new ATOM 0 HD22 ASN A 64 -0.924 -1.997 19.860 1.00 1.61 H new ATOM 459 N GLY A 65 -0.867 -5.399 13.918 1.00 0.83 N ATOM 460 CA GLY A 65 -1.485 -5.576 12.614 1.00 0.78 C ATOM 461 C GLY A 65 -0.930 -4.624 11.570 1.00 0.59 C ATOM 462 O GLY A 65 -1.411 -4.579 10.440 1.00 0.59 O ATOM 0 H GLY A 65 -0.072 -6.011 14.102 1.00 0.83 H new ATOM 0 HA2 GLY A 65 -1.334 -6.603 12.281 1.00 0.78 H new ATOM 0 HA3 GLY A 65 -2.561 -5.425 12.703 1.00 0.78 H new ATOM 466 N LYS A 66 0.080 -3.861 11.956 1.00 0.51 N ATOM 467 CA LYS A 66 0.724 -2.914 11.058 1.00 0.40 C ATOM 468 C LYS A 66 2.214 -3.202 10.966 1.00 0.36 C ATOM 469 O LYS A 66 2.819 -3.673 11.929 1.00 0.55 O ATOM 470 CB LYS A 66 0.534 -1.499 11.582 1.00 0.52 C ATOM 471 CG LYS A 66 -0.881 -0.974 11.485 1.00 0.70 C ATOM 472 CD LYS A 66 -1.005 0.346 12.214 1.00 0.74 C ATOM 473 CE LYS A 66 -2.372 0.976 12.022 1.00 0.74 C ATOM 474 NZ LYS A 66 -2.520 1.601 10.680 1.00 0.97 N ATOM 0 H LYS A 66 0.476 -3.880 12.896 1.00 0.51 H new ATOM 0 HA LYS A 66 0.272 -3.013 10.071 1.00 0.40 H new ATOM 0 HB2 LYS A 66 0.848 -1.467 12.625 1.00 0.52 H new ATOM 0 HB3 LYS A 66 1.194 -0.830 11.030 1.00 0.52 H new ATOM 0 HG2 LYS A 66 -1.157 -0.846 10.438 1.00 0.70 H new ATOM 0 HG3 LYS A 66 -1.575 -1.699 11.911 1.00 0.70 H new ATOM 0 HD2 LYS A 66 -0.824 0.191 13.278 1.00 0.74 H new ATOM 0 HD3 LYS A 66 -0.237 1.031 11.856 1.00 0.74 H new ATOM 0 HE2 LYS A 66 -3.142 0.216 12.154 1.00 0.74 H new ATOM 0 HE3 LYS A 66 -2.534 1.730 12.792 1.00 0.74 H new ATOM 0 HZ1 LYS A 66 -3.329 2.254 10.689 1.00 0.97 H new ATOM 0 HZ2 LYS A 66 -1.654 2.126 10.444 1.00 0.97 H new ATOM 0 HZ3 LYS A 66 -2.681 0.860 9.968 1.00 0.97 H new ATOM 488 N ILE A 67 2.810 -2.929 9.820 1.00 0.30 N ATOM 489 CA ILE A 67 4.259 -2.974 9.703 1.00 0.29 C ATOM 490 C ILE A 67 4.800 -1.569 9.474 1.00 0.28 C ATOM 491 O ILE A 67 4.323 -0.841 8.603 1.00 0.37 O ATOM 492 CB ILE A 67 4.743 -3.916 8.575 1.00 0.30 C ATOM 493 CG1 ILE A 67 4.128 -3.528 7.227 1.00 0.29 C ATOM 494 CG2 ILE A 67 4.419 -5.366 8.922 1.00 0.32 C ATOM 495 CD1 ILE A 67 4.704 -4.293 6.057 1.00 0.31 C ATOM 0 H ILE A 67 2.320 -2.676 8.962 1.00 0.30 H new ATOM 0 HA ILE A 67 4.644 -3.378 10.639 1.00 0.29 H new ATOM 0 HB ILE A 67 5.824 -3.813 8.486 1.00 0.30 H new ATOM 0 HG12 ILE A 67 3.052 -3.696 7.266 1.00 0.29 H new ATOM 0 HG13 ILE A 67 4.278 -2.461 7.062 1.00 0.29 H new ATOM 0 HG21 ILE A 67 4.765 -6.018 8.120 1.00 0.32 H new ATOM 0 HG22 ILE A 67 4.919 -5.638 9.852 1.00 0.32 H new ATOM 0 HG23 ILE A 67 3.342 -5.479 9.043 1.00 0.32 H new ATOM 0 HD11 ILE A 67 4.222 -3.966 5.136 1.00 0.31 H new ATOM 0 HD12 ILE A 67 5.776 -4.105 5.992 1.00 0.31 H new ATOM 0 HD13 ILE A 67 4.530 -5.360 6.199 1.00 0.31 H new ATOM 507 N THR A 68 5.773 -1.183 10.282 1.00 0.28 N ATOM 508 CA THR A 68 6.366 0.141 10.182 1.00 0.26 C ATOM 509 C THR A 68 7.211 0.247 8.916 1.00 0.25 C ATOM 510 O THR A 68 7.597 -0.767 8.324 1.00 0.31 O ATOM 511 CB THR A 68 7.230 0.458 11.426 1.00 0.31 C ATOM 512 OG1 THR A 68 7.822 1.760 11.319 1.00 1.31 O ATOM 513 CG2 THR A 68 8.324 -0.581 11.610 1.00 1.12 C ATOM 0 H THR A 68 6.170 -1.769 11.016 1.00 0.28 H new ATOM 0 HA THR A 68 5.558 0.871 10.133 1.00 0.26 H new ATOM 0 HB THR A 68 6.572 0.436 12.294 1.00 0.31 H new ATOM 0 HG1 THR A 68 8.362 1.940 12.117 1.00 1.31 H new ATOM 0 HG21 THR A 68 8.916 -0.334 12.491 1.00 1.12 H new ATOM 0 HG22 THR A 68 7.873 -1.565 11.740 1.00 1.12 H new ATOM 0 HG23 THR A 68 8.968 -0.590 10.731 1.00 1.12 H new ATOM 521 N GLY A 69 7.490 1.478 8.515 1.00 0.24 N ATOM 522 CA GLY A 69 8.244 1.735 7.297 1.00 0.26 C ATOM 523 C GLY A 69 9.655 1.168 7.312 1.00 0.25 C ATOM 524 O GLY A 69 10.340 1.206 6.299 1.00 0.33 O ATOM 0 H GLY A 69 7.204 2.318 9.018 1.00 0.24 H new ATOM 0 HA2 GLY A 69 7.703 1.312 6.451 1.00 0.26 H new ATOM 0 HA3 GLY A 69 8.298 2.812 7.135 1.00 0.26 H new ATOM 528 N ALA A 70 10.092 0.643 8.450 1.00 0.23 N ATOM 529 CA ALA A 70 11.426 0.065 8.558 1.00 0.24 C ATOM 530 C ALA A 70 11.511 -1.253 7.788 1.00 0.22 C ATOM 531 O ALA A 70 12.237 -1.358 6.796 1.00 0.25 O ATOM 532 CB ALA A 70 11.804 -0.142 10.018 1.00 0.27 C ATOM 0 H ALA A 70 9.544 0.605 9.309 1.00 0.23 H new ATOM 0 HA ALA A 70 12.136 0.764 8.115 1.00 0.24 H new ATOM 0 HB1 ALA A 70 12.803 -0.574 10.077 1.00 0.27 H new ATOM 0 HB2 ALA A 70 11.792 0.817 10.536 1.00 0.27 H new ATOM 0 HB3 ALA A 70 11.088 -0.817 10.487 1.00 0.27 H new ATOM 538 N ASN A 71 10.751 -2.249 8.233 1.00 0.29 N ATOM 539 CA ASN A 71 10.731 -3.543 7.579 1.00 0.32 C ATOM 540 C ASN A 71 10.078 -3.439 6.209 1.00 0.24 C ATOM 541 O ASN A 71 10.476 -4.127 5.264 1.00 0.20 O ATOM 542 CB ASN A 71 9.998 -4.571 8.445 1.00 0.48 C ATOM 543 CG ASN A 71 8.669 -4.073 8.976 1.00 0.69 C ATOM 544 OD1 ASN A 71 7.652 -4.152 8.297 1.00 1.79 O ATOM 545 ND2 ASN A 71 8.665 -3.583 10.207 1.00 0.71 N ATOM 0 H ASN A 71 10.141 -2.179 9.047 1.00 0.29 H new ATOM 0 HA ASN A 71 11.760 -3.876 7.445 1.00 0.32 H new ATOM 0 HB2 ASN A 71 9.831 -5.475 7.860 1.00 0.48 H new ATOM 0 HB3 ASN A 71 10.635 -4.848 9.285 1.00 0.48 H new ATOM 0 HD21 ASN A 71 7.793 -3.254 10.622 1.00 0.71 H new ATOM 0 HD22 ASN A 71 9.534 -3.534 10.739 1.00 0.71 H new ATOM 552 N ALA A 72 9.088 -2.561 6.101 1.00 0.26 N ATOM 553 CA ALA A 72 8.417 -2.324 4.837 1.00 0.26 C ATOM 554 C ALA A 72 9.411 -1.850 3.785 1.00 0.20 C ATOM 555 O ALA A 72 9.503 -2.432 2.706 1.00 0.21 O ATOM 556 CB ALA A 72 7.298 -1.313 5.010 1.00 0.32 C ATOM 0 H ALA A 72 8.734 -2.002 6.878 1.00 0.26 H new ATOM 0 HA ALA A 72 7.981 -3.263 4.497 1.00 0.26 H new ATOM 0 HB1 ALA A 72 6.806 -1.148 4.052 1.00 0.32 H new ATOM 0 HB2 ALA A 72 6.573 -1.693 5.730 1.00 0.32 H new ATOM 0 HB3 ALA A 72 7.711 -0.372 5.373 1.00 0.32 H new ATOM 562 N LYS A 73 10.175 -0.807 4.114 1.00 0.19 N ATOM 563 CA LYS A 73 11.167 -0.275 3.187 1.00 0.17 C ATOM 564 C LYS A 73 12.222 -1.321 2.873 1.00 0.18 C ATOM 565 O LYS A 73 12.718 -1.383 1.753 1.00 0.20 O ATOM 566 CB LYS A 73 11.842 0.977 3.745 1.00 0.19 C ATOM 567 CG LYS A 73 12.876 1.567 2.798 1.00 0.31 C ATOM 568 CD LYS A 73 13.498 2.838 3.352 1.00 0.58 C ATOM 569 CE LYS A 73 14.536 3.413 2.397 1.00 0.91 C ATOM 570 NZ LYS A 73 15.228 4.603 2.968 1.00 1.36 N ATOM 0 H LYS A 73 10.125 -0.319 5.008 1.00 0.19 H new ATOM 0 HA LYS A 73 10.641 -0.005 2.271 1.00 0.17 H new ATOM 0 HB2 LYS A 73 11.082 1.729 3.958 1.00 0.19 H new ATOM 0 HB3 LYS A 73 12.323 0.732 4.692 1.00 0.19 H new ATOM 0 HG2 LYS A 73 13.659 0.832 2.613 1.00 0.31 H new ATOM 0 HG3 LYS A 73 12.407 1.782 1.838 1.00 0.31 H new ATOM 0 HD2 LYS A 73 12.718 3.578 3.532 1.00 0.58 H new ATOM 0 HD3 LYS A 73 13.965 2.627 4.314 1.00 0.58 H new ATOM 0 HE2 LYS A 73 15.273 2.646 2.159 1.00 0.91 H new ATOM 0 HE3 LYS A 73 14.052 3.691 1.461 1.00 0.91 H new ATOM 0 HZ1 LYS A 73 16.025 4.868 2.355 1.00 1.36 H new ATOM 0 HZ2 LYS A 73 14.559 5.397 3.029 1.00 1.36 H new ATOM 0 HZ3 LYS A 73 15.583 4.375 3.919 1.00 1.36 H new ATOM 584 N LYS A 74 12.562 -2.136 3.867 1.00 0.20 N ATOM 585 CA LYS A 74 13.518 -3.219 3.668 1.00 0.23 C ATOM 586 C LYS A 74 13.089 -4.102 2.497 1.00 0.20 C ATOM 587 O LYS A 74 13.875 -4.374 1.586 1.00 0.22 O ATOM 588 CB LYS A 74 13.661 -4.064 4.939 1.00 0.31 C ATOM 589 CG LYS A 74 14.731 -5.141 4.826 1.00 1.15 C ATOM 590 CD LYS A 74 14.836 -5.990 6.086 1.00 1.35 C ATOM 591 CE LYS A 74 13.571 -6.795 6.339 1.00 1.67 C ATOM 592 NZ LYS A 74 13.722 -7.708 7.504 1.00 2.48 N ATOM 0 H LYS A 74 12.191 -2.067 4.815 1.00 0.20 H new ATOM 0 HA LYS A 74 14.487 -2.775 3.439 1.00 0.23 H new ATOM 0 HB2 LYS A 74 13.900 -3.410 5.777 1.00 0.31 H new ATOM 0 HB3 LYS A 74 12.704 -4.534 5.165 1.00 0.31 H new ATOM 0 HG2 LYS A 74 14.506 -5.784 3.975 1.00 1.15 H new ATOM 0 HG3 LYS A 74 15.695 -4.672 4.626 1.00 1.15 H new ATOM 0 HD2 LYS A 74 15.685 -6.668 5.996 1.00 1.35 H new ATOM 0 HD3 LYS A 74 15.032 -5.345 6.942 1.00 1.35 H new ATOM 0 HE2 LYS A 74 12.737 -6.116 6.515 1.00 1.67 H new ATOM 0 HE3 LYS A 74 13.326 -7.377 5.450 1.00 1.67 H new ATOM 0 HZ1 LYS A 74 12.839 -8.240 7.645 1.00 2.48 H new ATOM 0 HZ2 LYS A 74 14.502 -8.373 7.325 1.00 2.48 H new ATOM 0 HZ3 LYS A 74 13.931 -7.151 8.357 1.00 2.48 H new ATOM 606 N GLU A 75 11.833 -4.525 2.511 1.00 0.21 N ATOM 607 CA GLU A 75 11.306 -5.354 1.437 1.00 0.22 C ATOM 608 C GLU A 75 11.248 -4.565 0.130 1.00 0.20 C ATOM 609 O GLU A 75 11.562 -5.086 -0.939 1.00 0.24 O ATOM 610 CB GLU A 75 9.917 -5.889 1.802 1.00 0.29 C ATOM 611 CG GLU A 75 9.328 -6.829 0.760 1.00 0.33 C ATOM 612 CD GLU A 75 10.298 -7.927 0.363 1.00 1.30 C ATOM 613 OE1 GLU A 75 10.808 -8.639 1.257 1.00 2.16 O ATOM 614 OE2 GLU A 75 10.553 -8.087 -0.847 1.00 1.35 O ATOM 0 H GLU A 75 11.163 -4.309 3.250 1.00 0.21 H new ATOM 0 HA GLU A 75 11.976 -6.202 1.298 1.00 0.22 H new ATOM 0 HB2 GLU A 75 9.979 -6.412 2.756 1.00 0.29 H new ATOM 0 HB3 GLU A 75 9.239 -5.047 1.943 1.00 0.29 H new ATOM 0 HG2 GLU A 75 8.415 -7.278 1.153 1.00 0.33 H new ATOM 0 HG3 GLU A 75 9.047 -6.258 -0.125 1.00 0.33 H new ATOM 621 N MET A 76 10.890 -3.292 0.231 1.00 0.19 N ATOM 622 CA MET A 76 10.748 -2.439 -0.943 1.00 0.20 C ATOM 623 C MET A 76 12.088 -2.234 -1.647 1.00 0.22 C ATOM 624 O MET A 76 12.153 -2.219 -2.876 1.00 0.29 O ATOM 625 CB MET A 76 10.132 -1.088 -0.561 1.00 0.22 C ATOM 626 CG MET A 76 8.752 -1.219 0.067 1.00 0.24 C ATOM 627 SD MET A 76 8.020 0.363 0.525 1.00 0.39 S ATOM 628 CE MET A 76 7.626 1.035 -1.086 1.00 0.51 C ATOM 0 H MET A 76 10.692 -2.826 1.116 1.00 0.19 H new ATOM 0 HA MET A 76 10.077 -2.943 -1.638 1.00 0.20 H new ATOM 0 HB2 MET A 76 10.795 -0.577 0.137 1.00 0.22 H new ATOM 0 HB3 MET A 76 10.062 -0.462 -1.451 1.00 0.22 H new ATOM 0 HG2 MET A 76 8.089 -1.728 -0.633 1.00 0.24 H new ATOM 0 HG3 MET A 76 8.823 -1.848 0.954 1.00 0.24 H new ATOM 0 HE1 MET A 76 8.287 1.875 -1.301 1.00 0.51 H new ATOM 0 HE2 MET A 76 7.760 0.264 -1.845 1.00 0.51 H new ATOM 0 HE3 MET A 76 6.591 1.376 -1.095 1.00 0.51 H new ATOM 638 N VAL A 77 13.165 -2.097 -0.880 1.00 0.20 N ATOM 639 CA VAL A 77 14.487 -1.922 -1.474 1.00 0.26 C ATOM 640 C VAL A 77 15.049 -3.259 -1.938 1.00 0.27 C ATOM 641 O VAL A 77 15.997 -3.310 -2.724 1.00 0.32 O ATOM 642 CB VAL A 77 15.489 -1.235 -0.514 1.00 0.37 C ATOM 643 CG1 VAL A 77 14.984 0.137 -0.101 1.00 1.34 C ATOM 644 CG2 VAL A 77 15.757 -2.088 0.715 1.00 0.96 C ATOM 0 H VAL A 77 13.151 -2.103 0.140 1.00 0.20 H new ATOM 0 HA VAL A 77 14.356 -1.263 -2.332 1.00 0.26 H new ATOM 0 HB VAL A 77 16.429 -1.116 -1.053 1.00 0.37 H new ATOM 0 HG11 VAL A 77 15.703 0.602 0.573 1.00 1.34 H new ATOM 0 HG12 VAL A 77 14.861 0.761 -0.986 1.00 1.34 H new ATOM 0 HG13 VAL A 77 14.025 0.034 0.407 1.00 1.34 H new ATOM 0 HG21 VAL A 77 16.464 -1.575 1.367 1.00 0.96 H new ATOM 0 HG22 VAL A 77 14.824 -2.255 1.253 1.00 0.96 H new ATOM 0 HG23 VAL A 77 16.175 -3.047 0.408 1.00 0.96 H new ATOM 654 N LYS A 78 14.465 -4.343 -1.450 1.00 0.27 N ATOM 655 CA LYS A 78 14.813 -5.671 -1.937 1.00 0.32 C ATOM 656 C LYS A 78 13.996 -6.011 -3.174 1.00 0.32 C ATOM 657 O LYS A 78 14.282 -6.980 -3.878 1.00 0.40 O ATOM 658 CB LYS A 78 14.604 -6.716 -0.850 1.00 0.43 C ATOM 659 CG LYS A 78 15.586 -6.585 0.297 1.00 0.59 C ATOM 660 CD LYS A 78 15.394 -7.690 1.310 1.00 0.83 C ATOM 661 CE LYS A 78 16.425 -7.606 2.421 1.00 1.36 C ATOM 662 NZ LYS A 78 17.817 -7.706 1.908 1.00 2.20 N ATOM 0 H LYS A 78 13.752 -4.331 -0.721 1.00 0.27 H new ATOM 0 HA LYS A 78 15.869 -5.673 -2.209 1.00 0.32 H new ATOM 0 HB2 LYS A 78 13.589 -6.631 -0.463 1.00 0.43 H new ATOM 0 HB3 LYS A 78 14.696 -7.710 -1.287 1.00 0.43 H new ATOM 0 HG2 LYS A 78 16.605 -6.614 -0.088 1.00 0.59 H new ATOM 0 HG3 LYS A 78 15.456 -5.617 0.782 1.00 0.59 H new ATOM 0 HD2 LYS A 78 14.392 -7.626 1.735 1.00 0.83 H new ATOM 0 HD3 LYS A 78 15.469 -8.658 0.814 1.00 0.83 H new ATOM 0 HE2 LYS A 78 16.304 -6.664 2.955 1.00 1.36 H new ATOM 0 HE3 LYS A 78 16.247 -8.406 3.140 1.00 1.36 H new ATOM 0 HZ1 LYS A 78 18.461 -7.932 2.693 1.00 2.20 H new ATOM 0 HZ2 LYS A 78 17.869 -8.456 1.190 1.00 2.20 H new ATOM 0 HZ3 LYS A 78 18.096 -6.799 1.482 1.00 2.20 H new ATOM 676 N SER A 79 12.973 -5.205 -3.427 1.00 0.29 N ATOM 677 CA SER A 79 12.195 -5.311 -4.657 1.00 0.33 C ATOM 678 C SER A 79 12.962 -4.679 -5.822 1.00 0.33 C ATOM 679 O SER A 79 12.521 -4.728 -6.970 1.00 0.42 O ATOM 680 CB SER A 79 10.836 -4.631 -4.486 1.00 0.37 C ATOM 681 OG SER A 79 10.133 -5.170 -3.377 1.00 0.91 O ATOM 0 H SER A 79 12.661 -4.468 -2.795 1.00 0.29 H new ATOM 0 HA SER A 79 12.030 -6.366 -4.877 1.00 0.33 H new ATOM 0 HB2 SER A 79 10.977 -3.559 -4.346 1.00 0.37 H new ATOM 0 HB3 SER A 79 10.245 -4.759 -5.393 1.00 0.37 H new ATOM 0 HG SER A 79 10.658 -5.035 -2.560 1.00 0.91 H new ATOM 687 N LYS A 80 14.109 -4.075 -5.498 1.00 0.31 N ATOM 688 CA LYS A 80 15.042 -3.530 -6.490 1.00 0.35 C ATOM 689 C LYS A 80 14.462 -2.317 -7.222 1.00 0.31 C ATOM 690 O LYS A 80 14.914 -1.973 -8.315 1.00 0.38 O ATOM 691 CB LYS A 80 15.440 -4.597 -7.520 1.00 0.47 C ATOM 692 CG LYS A 80 15.973 -5.888 -6.921 1.00 0.63 C ATOM 693 CD LYS A 80 16.348 -6.871 -8.014 1.00 1.03 C ATOM 694 CE LYS A 80 16.627 -8.259 -7.464 1.00 1.56 C ATOM 695 NZ LYS A 80 16.990 -9.213 -8.547 1.00 2.37 N ATOM 0 H LYS A 80 14.419 -3.949 -4.534 1.00 0.31 H new ATOM 0 HA LYS A 80 15.925 -3.210 -5.938 1.00 0.35 H new ATOM 0 HB2 LYS A 80 14.572 -4.829 -8.137 1.00 0.47 H new ATOM 0 HB3 LYS A 80 16.198 -4.179 -8.182 1.00 0.47 H new ATOM 0 HG2 LYS A 80 16.844 -5.675 -6.302 1.00 0.63 H new ATOM 0 HG3 LYS A 80 15.220 -6.331 -6.269 1.00 0.63 H new ATOM 0 HD2 LYS A 80 15.540 -6.926 -8.744 1.00 1.03 H new ATOM 0 HD3 LYS A 80 17.230 -6.507 -8.542 1.00 1.03 H new ATOM 0 HE2 LYS A 80 17.437 -8.207 -6.737 1.00 1.56 H new ATOM 0 HE3 LYS A 80 15.747 -8.625 -6.935 1.00 1.56 H new ATOM 0 HZ1 LYS A 80 17.174 -10.151 -8.136 1.00 2.37 H new ATOM 0 HZ2 LYS A 80 16.206 -9.281 -9.227 1.00 2.37 H new ATOM 0 HZ3 LYS A 80 17.844 -8.875 -9.035 1.00 2.37 H new ATOM 709 N LEU A 81 13.485 -1.656 -6.619 1.00 0.30 N ATOM 710 CA LEU A 81 12.878 -0.486 -7.236 1.00 0.32 C ATOM 711 C LEU A 81 13.561 0.789 -6.744 1.00 0.33 C ATOM 712 O LEU A 81 14.148 0.813 -5.662 1.00 0.35 O ATOM 713 CB LEU A 81 11.376 -0.430 -6.945 1.00 0.35 C ATOM 714 CG LEU A 81 10.572 -1.647 -7.415 1.00 0.47 C ATOM 715 CD1 LEU A 81 9.113 -1.510 -7.015 1.00 1.35 C ATOM 716 CD2 LEU A 81 10.698 -1.813 -8.923 1.00 0.87 C ATOM 0 H LEU A 81 13.098 -1.907 -5.709 1.00 0.30 H new ATOM 0 HA LEU A 81 13.013 -0.563 -8.315 1.00 0.32 H new ATOM 0 HB2 LEU A 81 11.235 -0.315 -5.870 1.00 0.35 H new ATOM 0 HB3 LEU A 81 10.964 0.462 -7.418 1.00 0.35 H new ATOM 0 HG LEU A 81 10.977 -2.536 -6.932 1.00 0.47 H new ATOM 0 HD11 LEU A 81 8.558 -2.384 -7.357 1.00 1.35 H new ATOM 0 HD12 LEU A 81 9.039 -1.435 -5.930 1.00 1.35 H new ATOM 0 HD13 LEU A 81 8.694 -0.613 -7.470 1.00 1.35 H new ATOM 0 HD21 LEU A 81 10.122 -2.681 -9.243 1.00 0.87 H new ATOM 0 HD22 LEU A 81 10.317 -0.921 -9.420 1.00 0.87 H new ATOM 0 HD23 LEU A 81 11.746 -1.956 -9.187 1.00 0.87 H new ATOM 728 N PRO A 82 13.522 1.850 -7.553 1.00 0.34 N ATOM 729 CA PRO A 82 14.115 3.142 -7.198 1.00 0.38 C ATOM 730 C PRO A 82 13.316 3.877 -6.128 1.00 0.35 C ATOM 731 O PRO A 82 12.131 3.602 -5.922 1.00 0.35 O ATOM 732 CB PRO A 82 14.066 3.920 -8.511 1.00 0.41 C ATOM 733 CG PRO A 82 12.934 3.319 -9.265 1.00 0.44 C ATOM 734 CD PRO A 82 12.912 1.867 -8.889 1.00 0.36 C ATOM 0 HA PRO A 82 15.116 3.028 -6.781 1.00 0.38 H new ATOM 0 HB2 PRO A 82 13.904 4.983 -8.335 1.00 0.41 H new ATOM 0 HB3 PRO A 82 15.002 3.827 -9.062 1.00 0.41 H new ATOM 0 HG2 PRO A 82 11.992 3.803 -9.007 1.00 0.44 H new ATOM 0 HG3 PRO A 82 13.072 3.442 -10.339 1.00 0.44 H new ATOM 0 HD2 PRO A 82 11.896 1.472 -8.872 1.00 0.36 H new ATOM 0 HD3 PRO A 82 13.478 1.260 -9.596 1.00 0.36 H new ATOM 742 N ASN A 83 13.971 4.831 -5.470 1.00 0.35 N ATOM 743 CA ASN A 83 13.336 5.649 -4.434 1.00 0.37 C ATOM 744 C ASN A 83 12.084 6.338 -4.969 1.00 0.33 C ATOM 745 O ASN A 83 11.110 6.522 -4.245 1.00 0.34 O ATOM 746 CB ASN A 83 14.317 6.707 -3.911 1.00 0.47 C ATOM 747 CG ASN A 83 15.452 6.127 -3.085 1.00 1.11 C ATOM 748 OD1 ASN A 83 15.873 4.989 -3.288 1.00 1.94 O ATOM 749 ND2 ASN A 83 15.972 6.922 -2.161 1.00 1.73 N ATOM 0 H ASN A 83 14.951 5.060 -5.637 1.00 0.35 H new ATOM 0 HA ASN A 83 13.049 4.986 -3.618 1.00 0.37 H new ATOM 0 HB2 ASN A 83 14.736 7.252 -4.757 1.00 0.47 H new ATOM 0 HB3 ASN A 83 13.770 7.430 -3.305 1.00 0.47 H new ATOM 0 HD21 ASN A 83 16.750 6.596 -1.587 1.00 1.73 H new ATOM 0 HD22 ASN A 83 15.594 7.859 -2.024 1.00 1.73 H new ATOM 756 N THR A 84 12.128 6.712 -6.242 1.00 0.35 N ATOM 757 CA THR A 84 11.009 7.362 -6.909 1.00 0.39 C ATOM 758 C THR A 84 9.747 6.500 -6.844 1.00 0.32 C ATOM 759 O THR A 84 8.718 6.906 -6.284 1.00 0.33 O ATOM 760 CB THR A 84 11.374 7.627 -8.380 1.00 0.48 C ATOM 761 OG1 THR A 84 12.744 8.057 -8.455 1.00 1.02 O ATOM 762 CG2 THR A 84 10.469 8.687 -8.987 1.00 1.04 C ATOM 0 H THR A 84 12.942 6.573 -6.841 1.00 0.35 H new ATOM 0 HA THR A 84 10.806 8.303 -6.398 1.00 0.39 H new ATOM 0 HB THR A 84 11.239 6.705 -8.945 1.00 0.48 H new ATOM 0 HG1 THR A 84 12.983 8.226 -9.390 1.00 1.02 H new ATOM 0 HG21 THR A 84 10.750 8.853 -10.027 1.00 1.04 H new ATOM 0 HG22 THR A 84 9.433 8.351 -8.941 1.00 1.04 H new ATOM 0 HG23 THR A 84 10.574 9.618 -8.429 1.00 1.04 H new ATOM 770 N VAL A 85 9.847 5.295 -7.393 1.00 0.30 N ATOM 771 CA VAL A 85 8.717 4.382 -7.445 1.00 0.28 C ATOM 772 C VAL A 85 8.293 3.970 -6.039 1.00 0.22 C ATOM 773 O VAL A 85 7.111 3.989 -5.712 1.00 0.20 O ATOM 774 CB VAL A 85 9.042 3.126 -8.289 1.00 0.33 C ATOM 775 CG1 VAL A 85 7.856 2.174 -8.331 1.00 0.34 C ATOM 776 CG2 VAL A 85 9.447 3.525 -9.699 1.00 0.41 C ATOM 0 H VAL A 85 10.703 4.929 -7.809 1.00 0.30 H new ATOM 0 HA VAL A 85 7.892 4.909 -7.924 1.00 0.28 H new ATOM 0 HB VAL A 85 9.877 2.609 -7.816 1.00 0.33 H new ATOM 0 HG11 VAL A 85 8.112 1.300 -8.931 1.00 0.34 H new ATOM 0 HG12 VAL A 85 7.607 1.859 -7.318 1.00 0.34 H new ATOM 0 HG13 VAL A 85 6.999 2.680 -8.775 1.00 0.34 H new ATOM 0 HG21 VAL A 85 9.672 2.631 -10.280 1.00 0.41 H new ATOM 0 HG22 VAL A 85 8.629 4.069 -10.172 1.00 0.41 H new ATOM 0 HG23 VAL A 85 10.330 4.162 -9.657 1.00 0.41 H new ATOM 786 N LEU A 86 9.266 3.633 -5.201 1.00 0.24 N ATOM 787 CA LEU A 86 8.982 3.214 -3.831 1.00 0.25 C ATOM 788 C LEU A 86 8.275 4.325 -3.058 1.00 0.21 C ATOM 789 O LEU A 86 7.308 4.075 -2.336 1.00 0.23 O ATOM 790 CB LEU A 86 10.278 2.822 -3.117 1.00 0.33 C ATOM 791 CG LEU A 86 11.027 1.633 -3.720 1.00 0.37 C ATOM 792 CD1 LEU A 86 12.275 1.324 -2.906 1.00 0.44 C ATOM 793 CD2 LEU A 86 10.122 0.413 -3.806 1.00 0.37 C ATOM 0 H LEU A 86 10.257 3.641 -5.444 1.00 0.24 H new ATOM 0 HA LEU A 86 8.322 2.348 -3.871 1.00 0.25 H new ATOM 0 HB2 LEU A 86 10.945 3.684 -3.112 1.00 0.33 H new ATOM 0 HB3 LEU A 86 10.045 2.593 -2.077 1.00 0.33 H new ATOM 0 HG LEU A 86 11.334 1.897 -4.732 1.00 0.37 H new ATOM 0 HD11 LEU A 86 12.797 0.475 -3.348 1.00 0.44 H new ATOM 0 HD12 LEU A 86 12.933 2.193 -2.904 1.00 0.44 H new ATOM 0 HD13 LEU A 86 11.991 1.082 -1.882 1.00 0.44 H new ATOM 0 HD21 LEU A 86 10.675 -0.421 -4.238 1.00 0.37 H new ATOM 0 HD22 LEU A 86 9.780 0.143 -2.807 1.00 0.37 H new ATOM 0 HD23 LEU A 86 9.262 0.642 -4.435 1.00 0.37 H new ATOM 805 N GLY A 87 8.751 5.552 -3.236 1.00 0.21 N ATOM 806 CA GLY A 87 8.179 6.689 -2.547 1.00 0.22 C ATOM 807 C GLY A 87 6.724 6.912 -2.899 1.00 0.21 C ATOM 808 O GLY A 87 5.887 7.119 -2.013 1.00 0.23 O ATOM 0 H GLY A 87 9.531 5.779 -3.852 1.00 0.21 H new ATOM 0 HA2 GLY A 87 8.270 6.540 -1.471 1.00 0.22 H new ATOM 0 HA3 GLY A 87 8.750 7.584 -2.794 1.00 0.22 H new ATOM 812 N LYS A 88 6.408 6.863 -4.189 1.00 0.22 N ATOM 813 CA LYS A 88 5.041 7.101 -4.620 1.00 0.29 C ATOM 814 C LYS A 88 4.139 5.923 -4.250 1.00 0.22 C ATOM 815 O LYS A 88 2.983 6.122 -3.880 1.00 0.24 O ATOM 816 CB LYS A 88 4.977 7.396 -6.121 1.00 0.48 C ATOM 817 CG LYS A 88 5.376 6.235 -7.014 1.00 0.97 C ATOM 818 CD LYS A 88 5.457 6.658 -8.474 1.00 0.80 C ATOM 819 CE LYS A 88 4.147 7.256 -8.966 1.00 1.23 C ATOM 820 NZ LYS A 88 4.284 7.819 -10.333 1.00 1.71 N ATOM 0 H LYS A 88 7.069 6.664 -4.940 1.00 0.22 H new ATOM 0 HA LYS A 88 4.673 7.983 -4.095 1.00 0.29 H new ATOM 0 HB2 LYS A 88 3.961 7.699 -6.375 1.00 0.48 H new ATOM 0 HB3 LYS A 88 5.627 8.244 -6.339 1.00 0.48 H new ATOM 0 HG2 LYS A 88 6.341 5.843 -6.693 1.00 0.97 H new ATOM 0 HG3 LYS A 88 4.652 5.427 -6.908 1.00 0.97 H new ATOM 0 HD2 LYS A 88 6.258 7.388 -8.597 1.00 0.80 H new ATOM 0 HD3 LYS A 88 5.715 5.795 -9.088 1.00 0.80 H new ATOM 0 HE2 LYS A 88 3.372 6.489 -8.963 1.00 1.23 H new ATOM 0 HE3 LYS A 88 3.823 8.039 -8.280 1.00 1.23 H new ATOM 0 HZ1 LYS A 88 3.373 8.218 -10.637 1.00 1.71 H new ATOM 0 HZ2 LYS A 88 5.006 8.568 -10.329 1.00 1.71 H new ATOM 0 HZ3 LYS A 88 4.569 7.066 -10.991 1.00 1.71 H new ATOM 834 N ILE A 89 4.679 4.704 -4.308 1.00 0.20 N ATOM 835 CA ILE A 89 3.929 3.518 -3.912 1.00 0.20 C ATOM 836 C ILE A 89 3.522 3.624 -2.450 1.00 0.19 C ATOM 837 O ILE A 89 2.400 3.292 -2.092 1.00 0.21 O ATOM 838 CB ILE A 89 4.744 2.218 -4.134 1.00 0.23 C ATOM 839 CG1 ILE A 89 4.883 1.929 -5.630 1.00 0.31 C ATOM 840 CG2 ILE A 89 4.092 1.035 -3.428 1.00 0.22 C ATOM 841 CD1 ILE A 89 5.661 0.667 -5.935 1.00 0.40 C ATOM 0 H ILE A 89 5.630 4.516 -4.625 1.00 0.20 H new ATOM 0 HA ILE A 89 3.040 3.467 -4.541 1.00 0.20 H new ATOM 0 HB ILE A 89 5.736 2.364 -3.707 1.00 0.23 H new ATOM 0 HG12 ILE A 89 3.889 1.848 -6.069 1.00 0.31 H new ATOM 0 HG13 ILE A 89 5.376 2.774 -6.110 1.00 0.31 H new ATOM 0 HG21 ILE A 89 4.685 0.137 -3.601 1.00 0.22 H new ATOM 0 HG22 ILE A 89 4.039 1.234 -2.358 1.00 0.22 H new ATOM 0 HG23 ILE A 89 3.086 0.887 -3.820 1.00 0.22 H new ATOM 0 HD11 ILE A 89 5.719 0.527 -7.014 1.00 0.40 H new ATOM 0 HD12 ILE A 89 6.668 0.752 -5.526 1.00 0.40 H new ATOM 0 HD13 ILE A 89 5.158 -0.189 -5.485 1.00 0.40 H new ATOM 853 N TRP A 90 4.436 4.114 -1.619 1.00 0.19 N ATOM 854 CA TRP A 90 4.156 4.291 -0.200 1.00 0.22 C ATOM 855 C TRP A 90 3.053 5.325 0.003 1.00 0.24 C ATOM 856 O TRP A 90 2.089 5.080 0.729 1.00 0.28 O ATOM 857 CB TRP A 90 5.414 4.726 0.558 1.00 0.25 C ATOM 858 CG TRP A 90 5.188 4.831 2.035 1.00 0.30 C ATOM 859 CD1 TRP A 90 4.724 5.916 2.723 1.00 0.45 C ATOM 860 CD2 TRP A 90 5.391 3.802 3.002 1.00 0.23 C ATOM 861 NE1 TRP A 90 4.648 5.627 4.059 1.00 0.46 N ATOM 862 CE2 TRP A 90 5.049 4.334 4.256 1.00 0.32 C ATOM 863 CE3 TRP A 90 5.840 2.484 2.931 1.00 0.16 C ATOM 864 CZ2 TRP A 90 5.129 3.589 5.426 1.00 0.29 C ATOM 865 CZ3 TRP A 90 5.916 1.744 4.092 1.00 0.18 C ATOM 866 CH2 TRP A 90 5.566 2.300 5.327 1.00 0.19 C ATOM 0 H TRP A 90 5.374 4.395 -1.903 1.00 0.19 H new ATOM 0 HA TRP A 90 3.824 3.331 0.195 1.00 0.22 H new ATOM 0 HB2 TRP A 90 6.215 4.012 0.366 1.00 0.25 H new ATOM 0 HB3 TRP A 90 5.749 5.690 0.176 1.00 0.25 H new ATOM 0 HD1 TRP A 90 4.456 6.863 2.278 1.00 0.45 H new ATOM 0 HE1 TRP A 90 4.342 6.271 4.789 1.00 0.46 H new ATOM 0 HE3 TRP A 90 6.123 2.050 1.983 1.00 0.16 H new ATOM 0 HZ2 TRP A 90 4.855 4.015 6.380 1.00 0.29 H new ATOM 0 HZ3 TRP A 90 6.251 0.718 4.047 1.00 0.18 H new ATOM 0 HH2 TRP A 90 5.643 1.697 6.220 1.00 0.19 H new ATOM 877 N LYS A 91 3.201 6.473 -0.659 1.00 0.24 N ATOM 878 CA LYS A 91 2.248 7.576 -0.533 1.00 0.30 C ATOM 879 C LYS A 91 0.831 7.154 -0.931 1.00 0.29 C ATOM 880 O LYS A 91 -0.148 7.760 -0.494 1.00 0.36 O ATOM 881 CB LYS A 91 2.689 8.764 -1.395 1.00 0.40 C ATOM 882 CG LYS A 91 3.936 9.474 -0.887 1.00 0.53 C ATOM 883 CD LYS A 91 4.361 10.585 -1.838 1.00 1.04 C ATOM 884 CE LYS A 91 5.480 11.448 -1.265 1.00 1.51 C ATOM 885 NZ LYS A 91 6.713 10.665 -0.981 1.00 2.40 N ATOM 0 H LYS A 91 3.978 6.664 -1.292 1.00 0.24 H new ATOM 0 HA LYS A 91 2.232 7.870 0.517 1.00 0.30 H new ATOM 0 HB2 LYS A 91 2.872 8.413 -2.411 1.00 0.40 H new ATOM 0 HB3 LYS A 91 1.871 9.483 -1.449 1.00 0.40 H new ATOM 0 HG2 LYS A 91 3.743 9.891 0.101 1.00 0.53 H new ATOM 0 HG3 LYS A 91 4.748 8.755 -0.777 1.00 0.53 H new ATOM 0 HD2 LYS A 91 4.691 10.146 -2.780 1.00 1.04 H new ATOM 0 HD3 LYS A 91 3.500 11.215 -2.064 1.00 1.04 H new ATOM 0 HE2 LYS A 91 5.715 12.247 -1.968 1.00 1.51 H new ATOM 0 HE3 LYS A 91 5.135 11.922 -0.346 1.00 1.51 H new ATOM 0 HZ1 LYS A 91 7.489 11.314 -0.739 1.00 2.40 H new ATOM 0 HZ2 LYS A 91 6.539 10.021 -0.183 1.00 2.40 H new ATOM 0 HZ3 LYS A 91 6.974 10.112 -1.822 1.00 2.40 H new ATOM 899 N LEU A 92 0.732 6.129 -1.768 1.00 0.27 N ATOM 900 CA LEU A 92 -0.564 5.621 -2.205 1.00 0.32 C ATOM 901 C LEU A 92 -1.047 4.492 -1.305 1.00 0.30 C ATOM 902 O LEU A 92 -2.170 4.524 -0.799 1.00 0.43 O ATOM 903 CB LEU A 92 -0.470 5.098 -3.633 1.00 0.40 C ATOM 904 CG LEU A 92 0.050 6.096 -4.655 1.00 0.59 C ATOM 905 CD1 LEU A 92 0.413 5.372 -5.931 1.00 0.85 C ATOM 906 CD2 LEU A 92 -0.986 7.169 -4.929 1.00 1.08 C ATOM 0 H LEU A 92 1.533 5.633 -2.158 1.00 0.27 H new ATOM 0 HA LEU A 92 -1.273 6.447 -2.153 1.00 0.32 H new ATOM 0 HB2 LEU A 92 0.180 4.223 -3.640 1.00 0.40 H new ATOM 0 HB3 LEU A 92 -1.459 4.763 -3.946 1.00 0.40 H new ATOM 0 HG LEU A 92 0.940 6.581 -4.255 1.00 0.59 H new ATOM 0 HD11 LEU A 92 0.786 6.089 -6.663 1.00 0.85 H new ATOM 0 HD12 LEU A 92 1.185 4.632 -5.722 1.00 0.85 H new ATOM 0 HD13 LEU A 92 -0.470 4.872 -6.330 1.00 0.85 H new ATOM 0 HD21 LEU A 92 -0.595 7.874 -5.663 1.00 1.08 H new ATOM 0 HD22 LEU A 92 -1.894 6.707 -5.317 1.00 1.08 H new ATOM 0 HD23 LEU A 92 -1.215 7.698 -4.004 1.00 1.08 H new ATOM 918 N ALA A 93 -0.185 3.501 -1.118 1.00 0.22 N ATOM 919 CA ALA A 93 -0.545 2.279 -0.414 1.00 0.21 C ATOM 920 C ALA A 93 -0.870 2.536 1.047 1.00 0.19 C ATOM 921 O ALA A 93 -1.704 1.846 1.630 1.00 0.30 O ATOM 922 CB ALA A 93 0.572 1.255 -0.530 1.00 0.23 C ATOM 0 H ALA A 93 0.780 3.522 -1.449 1.00 0.22 H new ATOM 0 HA ALA A 93 -1.446 1.886 -0.885 1.00 0.21 H new ATOM 0 HB1 ALA A 93 0.289 0.346 0.001 1.00 0.23 H new ATOM 0 HB2 ALA A 93 0.745 1.022 -1.581 1.00 0.23 H new ATOM 0 HB3 ALA A 93 1.485 1.661 -0.094 1.00 0.23 H new ATOM 928 N ASP A 94 -0.218 3.522 1.644 1.00 0.18 N ATOM 929 CA ASP A 94 -0.506 3.856 3.033 1.00 0.18 C ATOM 930 C ASP A 94 -1.663 4.841 3.085 1.00 0.33 C ATOM 931 O ASP A 94 -1.481 6.053 2.965 1.00 0.45 O ATOM 932 CB ASP A 94 0.726 4.416 3.751 1.00 0.30 C ATOM 933 CG ASP A 94 0.512 4.554 5.250 1.00 0.25 C ATOM 934 OD1 ASP A 94 -0.375 3.854 5.809 1.00 0.30 O ATOM 935 OD2 ASP A 94 1.231 5.348 5.888 1.00 0.31 O ATOM 0 H ASP A 94 0.500 4.095 1.201 1.00 0.18 H new ATOM 0 HA ASP A 94 -0.787 2.943 3.557 1.00 0.18 H new ATOM 0 HB2 ASP A 94 1.578 3.762 3.567 1.00 0.30 H new ATOM 0 HB3 ASP A 94 0.976 5.391 3.331 1.00 0.30 H new ATOM 940 N VAL A 95 -2.859 4.301 3.262 1.00 0.51 N ATOM 941 CA VAL A 95 -4.078 5.078 3.144 1.00 0.71 C ATOM 942 C VAL A 95 -4.365 5.850 4.413 1.00 0.72 C ATOM 943 O VAL A 95 -5.009 6.901 4.375 1.00 0.80 O ATOM 944 CB VAL A 95 -5.302 4.204 2.787 1.00 0.97 C ATOM 945 CG1 VAL A 95 -6.004 4.765 1.564 1.00 1.28 C ATOM 946 CG2 VAL A 95 -4.906 2.749 2.559 1.00 0.95 C ATOM 0 H VAL A 95 -3.009 3.318 3.490 1.00 0.51 H new ATOM 0 HA VAL A 95 -3.911 5.779 2.326 1.00 0.71 H new ATOM 0 HB VAL A 95 -5.989 4.226 3.633 1.00 0.97 H new ATOM 0 HG11 VAL A 95 -6.865 4.142 1.321 1.00 1.28 H new ATOM 0 HG12 VAL A 95 -6.339 5.782 1.771 1.00 1.28 H new ATOM 0 HG13 VAL A 95 -5.313 4.775 0.721 1.00 1.28 H new ATOM 0 HG21 VAL A 95 -5.792 2.165 2.310 1.00 0.95 H new ATOM 0 HG22 VAL A 95 -4.191 2.691 1.738 1.00 0.95 H new ATOM 0 HG23 VAL A 95 -4.451 2.349 3.465 1.00 0.95 H new ATOM 956 N ASP A 96 -3.885 5.340 5.535 1.00 0.70 N ATOM 957 CA ASP A 96 -3.996 6.064 6.795 1.00 0.78 C ATOM 958 C ASP A 96 -2.906 7.117 6.869 1.00 0.75 C ATOM 959 O ASP A 96 -2.927 7.978 7.752 1.00 0.88 O ATOM 960 CB ASP A 96 -3.839 5.156 8.014 1.00 0.96 C ATOM 961 CG ASP A 96 -3.924 3.681 7.708 1.00 0.75 C ATOM 962 OD1 ASP A 96 -5.044 3.149 7.614 1.00 1.02 O ATOM 963 OD2 ASP A 96 -2.851 3.049 7.585 1.00 1.12 O ATOM 0 H ASP A 96 -3.418 4.436 5.602 1.00 0.70 H new ATOM 0 HA ASP A 96 -4.993 6.505 6.815 1.00 0.78 H new ATOM 0 HB2 ASP A 96 -2.877 5.362 8.484 1.00 0.96 H new ATOM 0 HB3 ASP A 96 -4.610 5.409 8.742 1.00 0.96 H new ATOM 968 N LYS A 97 -1.957 7.032 5.924 1.00 0.66 N ATOM 969 CA LYS A 97 -0.747 7.861 5.928 1.00 0.70 C ATOM 970 C LYS A 97 -0.135 7.880 7.328 1.00 0.70 C ATOM 971 O LYS A 97 0.244 8.933 7.845 1.00 0.86 O ATOM 972 CB LYS A 97 -1.018 9.299 5.420 1.00 0.86 C ATOM 973 CG LYS A 97 -2.486 9.639 5.189 1.00 0.89 C ATOM 974 CD LYS A 97 -2.661 11.070 4.728 1.00 1.15 C ATOM 975 CE LYS A 97 -4.129 11.433 4.564 1.00 1.38 C ATOM 976 NZ LYS A 97 -4.300 12.859 4.172 1.00 1.68 N ATOM 0 H LYS A 97 -2.009 6.386 5.137 1.00 0.66 H new ATOM 0 HA LYS A 97 -0.035 7.415 5.233 1.00 0.70 H new ATOM 0 HB2 LYS A 97 -0.607 10.006 6.141 1.00 0.86 H new ATOM 0 HB3 LYS A 97 -0.476 9.445 4.486 1.00 0.86 H new ATOM 0 HG2 LYS A 97 -2.904 8.962 4.443 1.00 0.89 H new ATOM 0 HG3 LYS A 97 -3.046 9.482 6.111 1.00 0.89 H new ATOM 0 HD2 LYS A 97 -2.198 11.744 5.449 1.00 1.15 H new ATOM 0 HD3 LYS A 97 -2.143 11.213 3.780 1.00 1.15 H new ATOM 0 HE2 LYS A 97 -4.581 10.791 3.808 1.00 1.38 H new ATOM 0 HE3 LYS A 97 -4.657 11.246 5.499 1.00 1.38 H new ATOM 0 HZ1 LYS A 97 -5.188 13.225 4.572 1.00 1.68 H new ATOM 0 HZ2 LYS A 97 -3.501 13.417 4.535 1.00 1.68 H new ATOM 0 HZ3 LYS A 97 -4.331 12.933 3.135 1.00 1.68 H new ATOM 990 N ASP A 98 -0.031 6.698 7.928 1.00 0.56 N ATOM 991 CA ASP A 98 0.359 6.589 9.326 1.00 0.59 C ATOM 992 C ASP A 98 1.758 6.005 9.476 1.00 0.45 C ATOM 993 O ASP A 98 2.224 5.779 10.592 1.00 0.46 O ATOM 994 CB ASP A 98 -0.644 5.700 10.079 1.00 0.67 C ATOM 995 CG ASP A 98 -0.576 4.230 9.671 1.00 0.62 C ATOM 996 OD1 ASP A 98 -0.639 3.921 8.452 1.00 0.58 O ATOM 997 OD2 ASP A 98 -0.487 3.371 10.572 1.00 0.71 O ATOM 0 H ASP A 98 -0.211 5.806 7.468 1.00 0.56 H new ATOM 0 HA ASP A 98 0.361 7.594 9.748 1.00 0.59 H new ATOM 0 HB2 ASP A 98 -0.458 5.781 11.150 1.00 0.67 H new ATOM 0 HB3 ASP A 98 -1.653 6.072 9.902 1.00 0.67 H new ATOM 1002 N GLY A 99 2.437 5.794 8.355 1.00 0.39 N ATOM 1003 CA GLY A 99 3.820 5.364 8.389 1.00 0.38 C ATOM 1004 C GLY A 99 3.925 3.864 8.530 1.00 0.29 C ATOM 1005 O GLY A 99 5.016 3.293 8.524 1.00 0.39 O ATOM 0 H GLY A 99 2.051 5.914 7.419 1.00 0.39 H new ATOM 0 HA2 GLY A 99 4.324 5.682 7.476 1.00 0.38 H new ATOM 0 HA3 GLY A 99 4.333 5.846 9.221 1.00 0.38 H new ATOM 1009 N LEU A 100 2.776 3.234 8.697 1.00 0.28 N ATOM 1010 CA LEU A 100 2.679 1.804 8.801 1.00 0.33 C ATOM 1011 C LEU A 100 1.761 1.266 7.731 1.00 0.29 C ATOM 1012 O LEU A 100 0.746 1.884 7.403 1.00 0.39 O ATOM 1013 CB LEU A 100 2.125 1.405 10.164 1.00 0.53 C ATOM 1014 CG LEU A 100 3.067 1.622 11.337 1.00 0.59 C ATOM 1015 CD1 LEU A 100 3.193 3.081 11.632 1.00 1.37 C ATOM 1016 CD2 LEU A 100 2.615 0.865 12.570 1.00 1.11 C ATOM 0 H LEU A 100 1.878 3.714 8.764 1.00 0.28 H new ATOM 0 HA LEU A 100 3.679 1.387 8.676 1.00 0.33 H new ATOM 0 HB2 LEU A 100 1.210 1.969 10.345 1.00 0.53 H new ATOM 0 HB3 LEU A 100 1.849 0.351 10.131 1.00 0.53 H new ATOM 0 HG LEU A 100 4.045 1.230 11.057 1.00 0.59 H new ATOM 0 HD11 LEU A 100 3.870 3.225 12.474 1.00 1.37 H new ATOM 0 HD12 LEU A 100 3.588 3.596 10.757 1.00 1.37 H new ATOM 0 HD13 LEU A 100 2.213 3.488 11.881 1.00 1.37 H new ATOM 0 HD21 LEU A 100 3.315 1.047 13.385 1.00 1.11 H new ATOM 0 HD22 LEU A 100 1.622 1.205 12.862 1.00 1.11 H new ATOM 0 HD23 LEU A 100 2.583 -0.202 12.350 1.00 1.11 H new ATOM 1028 N LEU A 101 2.110 0.118 7.202 1.00 0.28 N ATOM 1029 CA LEU A 101 1.254 -0.564 6.273 1.00 0.27 C ATOM 1030 C LEU A 101 0.500 -1.656 7.010 1.00 0.27 C ATOM 1031 O LEU A 101 1.106 -2.572 7.558 1.00 0.31 O ATOM 1032 CB LEU A 101 2.064 -1.162 5.116 1.00 0.29 C ATOM 1033 CG LEU A 101 2.836 -0.154 4.266 1.00 0.30 C ATOM 1034 CD1 LEU A 101 3.602 -0.879 3.174 1.00 0.34 C ATOM 1035 CD2 LEU A 101 1.894 0.878 3.664 1.00 0.34 C ATOM 0 H LEU A 101 2.987 -0.362 7.403 1.00 0.28 H new ATOM 0 HA LEU A 101 0.548 0.149 5.848 1.00 0.27 H new ATOM 0 HB2 LEU A 101 2.771 -1.884 5.525 1.00 0.29 H new ATOM 0 HB3 LEU A 101 1.385 -1.714 4.467 1.00 0.29 H new ATOM 0 HG LEU A 101 3.545 0.371 4.905 1.00 0.30 H new ATOM 0 HD11 LEU A 101 4.150 -0.155 2.572 1.00 0.34 H new ATOM 0 HD12 LEU A 101 4.304 -1.580 3.626 1.00 0.34 H new ATOM 0 HD13 LEU A 101 2.903 -1.424 2.539 1.00 0.34 H new ATOM 0 HD21 LEU A 101 2.465 1.585 3.063 1.00 0.34 H new ATOM 0 HD22 LEU A 101 1.160 0.376 3.034 1.00 0.34 H new ATOM 0 HD23 LEU A 101 1.381 1.413 4.464 1.00 0.34 H new ATOM 1047 N ASP A 102 -0.811 -1.515 7.084 1.00 0.28 N ATOM 1048 CA ASP A 102 -1.660 -2.610 7.530 1.00 0.33 C ATOM 1049 C ASP A 102 -1.622 -3.721 6.484 1.00 0.26 C ATOM 1050 O ASP A 102 -1.022 -3.550 5.421 1.00 0.24 O ATOM 1051 CB ASP A 102 -3.112 -2.145 7.723 1.00 0.44 C ATOM 1052 CG ASP A 102 -3.276 -1.140 8.842 1.00 0.82 C ATOM 1053 OD1 ASP A 102 -2.808 0.008 8.696 1.00 1.06 O ATOM 1054 OD2 ASP A 102 -3.867 -1.495 9.877 1.00 1.39 O ATOM 0 H ASP A 102 -1.311 -0.659 6.843 1.00 0.28 H new ATOM 0 HA ASP A 102 -1.287 -2.972 8.488 1.00 0.33 H new ATOM 0 HB2 ASP A 102 -3.472 -1.704 6.793 1.00 0.44 H new ATOM 0 HB3 ASP A 102 -3.739 -3.012 7.928 1.00 0.44 H new ATOM 1059 N ASP A 103 -2.275 -4.839 6.768 1.00 0.32 N ATOM 1060 CA ASP A 103 -2.258 -5.996 5.867 1.00 0.35 C ATOM 1061 C ASP A 103 -2.757 -5.606 4.476 1.00 0.26 C ATOM 1062 O ASP A 103 -2.185 -6.001 3.458 1.00 0.24 O ATOM 1063 CB ASP A 103 -3.126 -7.119 6.455 1.00 0.56 C ATOM 1064 CG ASP A 103 -3.229 -8.348 5.566 1.00 0.77 C ATOM 1065 OD1 ASP A 103 -2.227 -8.670 4.880 1.00 1.17 O ATOM 1066 OD2 ASP A 103 -4.289 -8.994 5.542 1.00 1.69 O ATOM 0 H ASP A 103 -2.826 -4.975 7.616 1.00 0.32 H new ATOM 0 HA ASP A 103 -1.232 -6.352 5.768 1.00 0.35 H new ATOM 0 HB2 ASP A 103 -2.715 -7.415 7.420 1.00 0.56 H new ATOM 0 HB3 ASP A 103 -4.128 -6.731 6.640 1.00 0.56 H new ATOM 1071 N GLU A 104 -3.791 -4.780 4.437 1.00 0.26 N ATOM 1072 CA GLU A 104 -4.385 -4.369 3.172 1.00 0.25 C ATOM 1073 C GLU A 104 -3.491 -3.357 2.462 1.00 0.22 C ATOM 1074 O GLU A 104 -3.420 -3.330 1.235 1.00 0.29 O ATOM 1075 CB GLU A 104 -5.763 -3.755 3.402 1.00 0.32 C ATOM 1076 CG GLU A 104 -6.536 -4.405 4.535 1.00 0.32 C ATOM 1077 CD GLU A 104 -6.684 -5.908 4.381 1.00 1.28 C ATOM 1078 OE1 GLU A 104 -6.949 -6.380 3.256 1.00 1.38 O ATOM 1079 OE2 GLU A 104 -6.527 -6.620 5.389 1.00 2.29 O ATOM 0 H GLU A 104 -4.236 -4.381 5.264 1.00 0.26 H new ATOM 0 HA GLU A 104 -4.488 -5.255 2.546 1.00 0.25 H new ATOM 0 HB2 GLU A 104 -5.647 -2.692 3.615 1.00 0.32 H new ATOM 0 HB3 GLU A 104 -6.345 -3.834 2.484 1.00 0.32 H new ATOM 0 HG2 GLU A 104 -6.032 -4.192 5.478 1.00 0.32 H new ATOM 0 HG3 GLU A 104 -7.527 -3.954 4.594 1.00 0.32 H new ATOM 1086 N GLU A 105 -2.802 -2.532 3.244 1.00 0.18 N ATOM 1087 CA GLU A 105 -1.933 -1.503 2.687 1.00 0.18 C ATOM 1088 C GLU A 105 -0.695 -2.133 2.070 1.00 0.17 C ATOM 1089 O GLU A 105 -0.251 -1.744 0.989 1.00 0.17 O ATOM 1090 CB GLU A 105 -1.513 -0.504 3.764 1.00 0.20 C ATOM 1091 CG GLU A 105 -2.673 0.135 4.505 1.00 0.24 C ATOM 1092 CD GLU A 105 -2.237 1.319 5.338 1.00 0.31 C ATOM 1093 OE1 GLU A 105 -1.462 1.145 6.301 1.00 0.34 O ATOM 1094 OE2 GLU A 105 -2.652 2.445 5.044 1.00 0.39 O ATOM 0 H GLU A 105 -2.829 -2.556 4.263 1.00 0.18 H new ATOM 0 HA GLU A 105 -2.492 -0.974 1.915 1.00 0.18 H new ATOM 0 HB2 GLU A 105 -0.872 -1.012 4.484 1.00 0.20 H new ATOM 0 HB3 GLU A 105 -0.915 0.281 3.302 1.00 0.20 H new ATOM 0 HG2 GLU A 105 -3.427 0.456 3.787 1.00 0.24 H new ATOM 0 HG3 GLU A 105 -3.143 -0.607 5.150 1.00 0.24 H new ATOM 1101 N PHE A 106 -0.146 -3.120 2.760 1.00 0.17 N ATOM 1102 CA PHE A 106 1.016 -3.837 2.272 1.00 0.18 C ATOM 1103 C PHE A 106 0.633 -4.643 1.040 1.00 0.18 C ATOM 1104 O PHE A 106 1.442 -4.836 0.129 1.00 0.21 O ATOM 1105 CB PHE A 106 1.561 -4.751 3.362 1.00 0.21 C ATOM 1106 CG PHE A 106 2.836 -5.446 2.985 1.00 0.22 C ATOM 1107 CD1 PHE A 106 3.972 -4.716 2.683 1.00 0.25 C ATOM 1108 CD2 PHE A 106 2.899 -6.830 2.934 1.00 0.25 C ATOM 1109 CE1 PHE A 106 5.148 -5.352 2.339 1.00 0.28 C ATOM 1110 CE2 PHE A 106 4.072 -7.470 2.591 1.00 0.29 C ATOM 1111 CZ PHE A 106 5.195 -6.733 2.285 1.00 0.29 C ATOM 0 H PHE A 106 -0.490 -3.442 3.664 1.00 0.17 H new ATOM 0 HA PHE A 106 1.795 -3.125 2.001 1.00 0.18 H new ATOM 0 HB2 PHE A 106 1.731 -4.164 4.265 1.00 0.21 H new ATOM 0 HB3 PHE A 106 0.808 -5.500 3.606 1.00 0.21 H new ATOM 0 HD1 PHE A 106 3.938 -3.637 2.717 1.00 0.25 H new ATOM 0 HD2 PHE A 106 2.020 -7.414 3.165 1.00 0.25 H new ATOM 0 HE1 PHE A 106 6.030 -4.772 2.112 1.00 0.28 H new ATOM 0 HE2 PHE A 106 4.110 -8.549 2.562 1.00 0.29 H new ATOM 0 HZ PHE A 106 6.110 -7.233 2.004 1.00 0.29 H new ATOM 1121 N ALA A 107 -0.611 -5.101 1.022 1.00 0.19 N ATOM 1122 CA ALA A 107 -1.163 -5.774 -0.140 1.00 0.24 C ATOM 1123 C ALA A 107 -1.162 -4.852 -1.352 1.00 0.23 C ATOM 1124 O ALA A 107 -0.743 -5.247 -2.440 1.00 0.25 O ATOM 1125 CB ALA A 107 -2.567 -6.269 0.151 1.00 0.34 C ATOM 0 H ALA A 107 -1.259 -5.017 1.805 1.00 0.19 H new ATOM 0 HA ALA A 107 -0.532 -6.634 -0.367 1.00 0.24 H new ATOM 0 HB1 ALA A 107 -2.966 -6.771 -0.731 1.00 0.34 H new ATOM 0 HB2 ALA A 107 -2.540 -6.969 0.986 1.00 0.34 H new ATOM 0 HB3 ALA A 107 -3.205 -5.423 0.407 1.00 0.34 H new ATOM 1131 N LEU A 108 -1.622 -3.619 -1.157 1.00 0.24 N ATOM 1132 CA LEU A 108 -1.616 -2.622 -2.219 1.00 0.28 C ATOM 1133 C LEU A 108 -0.190 -2.331 -2.675 1.00 0.23 C ATOM 1134 O LEU A 108 0.076 -2.239 -3.871 1.00 0.23 O ATOM 1135 CB LEU A 108 -2.293 -1.334 -1.743 1.00 0.38 C ATOM 1136 CG LEU A 108 -3.807 -1.432 -1.542 1.00 0.93 C ATOM 1137 CD1 LEU A 108 -4.359 -0.136 -0.971 1.00 1.74 C ATOM 1138 CD2 LEU A 108 -4.493 -1.755 -2.857 1.00 1.31 C ATOM 0 H LEU A 108 -2.004 -3.288 -0.271 1.00 0.24 H new ATOM 0 HA LEU A 108 -2.175 -3.020 -3.066 1.00 0.28 H new ATOM 0 HB2 LEU A 108 -1.836 -1.028 -0.802 1.00 0.38 H new ATOM 0 HB3 LEU A 108 -2.089 -0.545 -2.467 1.00 0.38 H new ATOM 0 HG LEU A 108 -4.006 -2.235 -0.832 1.00 0.93 H new ATOM 0 HD11 LEU A 108 -5.437 -0.228 -0.836 1.00 1.74 H new ATOM 0 HD12 LEU A 108 -3.889 0.067 -0.009 1.00 1.74 H new ATOM 0 HD13 LEU A 108 -4.148 0.683 -1.658 1.00 1.74 H new ATOM 0 HD21 LEU A 108 -5.569 -1.822 -2.699 1.00 1.31 H new ATOM 0 HD22 LEU A 108 -4.281 -0.968 -3.581 1.00 1.31 H new ATOM 0 HD23 LEU A 108 -4.122 -2.707 -3.237 1.00 1.31 H new ATOM 1150 N ALA A 109 0.720 -2.208 -1.712 1.00 0.23 N ATOM 1151 CA ALA A 109 2.129 -1.970 -2.003 1.00 0.24 C ATOM 1152 C ALA A 109 2.693 -3.069 -2.895 1.00 0.23 C ATOM 1153 O ALA A 109 3.186 -2.800 -3.989 1.00 0.24 O ATOM 1154 CB ALA A 109 2.934 -1.877 -0.708 1.00 0.27 C ATOM 0 H ALA A 109 0.503 -2.270 -0.717 1.00 0.23 H new ATOM 0 HA ALA A 109 2.209 -1.022 -2.535 1.00 0.24 H new ATOM 0 HB1 ALA A 109 3.983 -1.699 -0.944 1.00 0.27 H new ATOM 0 HB2 ALA A 109 2.554 -1.055 -0.102 1.00 0.27 H new ATOM 0 HB3 ALA A 109 2.840 -2.811 -0.153 1.00 0.27 H new ATOM 1160 N ASN A 110 2.589 -4.310 -2.431 1.00 0.24 N ATOM 1161 CA ASN A 110 3.112 -5.457 -3.168 1.00 0.26 C ATOM 1162 C ASN A 110 2.428 -5.601 -4.519 1.00 0.25 C ATOM 1163 O ASN A 110 3.054 -6.009 -5.499 1.00 0.26 O ATOM 1164 CB ASN A 110 2.944 -6.743 -2.358 1.00 0.28 C ATOM 1165 CG ASN A 110 4.097 -6.999 -1.400 1.00 0.31 C ATOM 1166 OD1 ASN A 110 4.775 -5.943 -0.974 1.00 0.70 O flip ATOM 1167 ND2 ASN A 110 4.383 -8.141 -1.053 1.00 0.55 N flip ATOM 0 H ASN A 110 2.145 -4.549 -1.544 1.00 0.24 H new ATOM 0 HA ASN A 110 4.175 -5.283 -3.337 1.00 0.26 H new ATOM 0 HB2 ASN A 110 2.014 -6.690 -1.792 1.00 0.28 H new ATOM 0 HB3 ASN A 110 2.853 -7.587 -3.042 1.00 0.28 H new ATOM 0 HD21 ASN A 110 3.839 -8.931 -1.401 1.00 0.55 H new ATOM 0 HD22 ASN A 110 5.164 -8.300 -0.417 1.00 0.55 H new ATOM 1174 N HIS A 111 1.147 -5.256 -4.574 1.00 0.24 N ATOM 1175 CA HIS A 111 0.408 -5.313 -5.824 1.00 0.26 C ATOM 1176 C HIS A 111 0.970 -4.301 -6.813 1.00 0.24 C ATOM 1177 O HIS A 111 1.194 -4.632 -7.973 1.00 0.27 O ATOM 1178 CB HIS A 111 -1.085 -5.063 -5.597 1.00 0.28 C ATOM 1179 CG HIS A 111 -1.917 -5.315 -6.817 1.00 0.44 C ATOM 1180 ND1 HIS A 111 -2.348 -6.572 -7.181 1.00 0.62 N ATOM 1181 CD2 HIS A 111 -2.379 -4.471 -7.769 1.00 0.61 C ATOM 1182 CE1 HIS A 111 -3.036 -6.488 -8.306 1.00 0.75 C ATOM 1183 NE2 HIS A 111 -3.073 -5.225 -8.683 1.00 0.73 N ATOM 0 H HIS A 111 0.604 -4.936 -3.772 1.00 0.24 H new ATOM 0 HA HIS A 111 0.521 -6.315 -6.239 1.00 0.26 H new ATOM 0 HB2 HIS A 111 -1.435 -5.703 -4.788 1.00 0.28 H new ATOM 0 HB3 HIS A 111 -1.229 -4.032 -5.273 1.00 0.28 H new ATOM 0 HD2 HIS A 111 -2.229 -3.402 -7.803 1.00 0.61 H new ATOM 0 HE1 HIS A 111 -3.492 -7.316 -8.829 1.00 0.75 H new ATOM 0 HE2 HIS A 111 -3.540 -4.867 -9.516 1.00 0.73 H new ATOM 1192 N LEU A 112 1.202 -3.075 -6.346 1.00 0.24 N ATOM 1193 CA LEU A 112 1.794 -2.033 -7.184 1.00 0.23 C ATOM 1194 C LEU A 112 3.176 -2.463 -7.664 1.00 0.24 C ATOM 1195 O LEU A 112 3.535 -2.260 -8.829 1.00 0.27 O ATOM 1196 CB LEU A 112 1.891 -0.706 -6.417 1.00 0.23 C ATOM 1197 CG LEU A 112 0.549 -0.076 -6.038 1.00 0.20 C ATOM 1198 CD1 LEU A 112 0.769 1.237 -5.306 1.00 0.23 C ATOM 1199 CD2 LEU A 112 -0.316 0.135 -7.274 1.00 0.22 C ATOM 0 H LEU A 112 0.989 -2.779 -5.393 1.00 0.24 H new ATOM 0 HA LEU A 112 1.149 -1.884 -8.050 1.00 0.23 H new ATOM 0 HB2 LEU A 112 2.467 -0.872 -5.507 1.00 0.23 H new ATOM 0 HB3 LEU A 112 2.451 0.006 -7.023 1.00 0.23 H new ATOM 0 HG LEU A 112 0.024 -0.759 -5.371 1.00 0.20 H new ATOM 0 HD11 LEU A 112 -0.195 1.673 -5.043 1.00 0.23 H new ATOM 0 HD12 LEU A 112 1.345 1.056 -4.398 1.00 0.23 H new ATOM 0 HD13 LEU A 112 1.315 1.926 -5.951 1.00 0.23 H new ATOM 0 HD21 LEU A 112 -1.265 0.584 -6.981 1.00 0.22 H new ATOM 0 HD22 LEU A 112 0.199 0.797 -7.970 1.00 0.22 H new ATOM 0 HD23 LEU A 112 -0.502 -0.825 -7.756 1.00 0.22 H new ATOM 1211 N ILE A 113 3.927 -3.081 -6.758 1.00 0.28 N ATOM 1212 CA ILE A 113 5.265 -3.564 -7.060 1.00 0.32 C ATOM 1213 C ILE A 113 5.233 -4.608 -8.170 1.00 0.35 C ATOM 1214 O ILE A 113 5.908 -4.455 -9.188 1.00 0.38 O ATOM 1215 CB ILE A 113 5.944 -4.165 -5.808 1.00 0.37 C ATOM 1216 CG1 ILE A 113 6.139 -3.085 -4.740 1.00 0.37 C ATOM 1217 CG2 ILE A 113 7.276 -4.807 -6.175 1.00 0.46 C ATOM 1218 CD1 ILE A 113 6.709 -3.606 -3.439 1.00 0.43 C ATOM 0 H ILE A 113 3.625 -3.259 -5.800 1.00 0.28 H new ATOM 0 HA ILE A 113 5.846 -2.705 -7.395 1.00 0.32 H new ATOM 0 HB ILE A 113 5.296 -4.941 -5.401 1.00 0.37 H new ATOM 0 HG12 ILE A 113 6.802 -2.314 -5.133 1.00 0.37 H new ATOM 0 HG13 ILE A 113 5.179 -2.608 -4.540 1.00 0.37 H new ATOM 0 HG21 ILE A 113 7.738 -5.224 -5.280 1.00 0.46 H new ATOM 0 HG22 ILE A 113 7.109 -5.602 -6.901 1.00 0.46 H new ATOM 0 HG23 ILE A 113 7.936 -4.055 -6.607 1.00 0.46 H new ATOM 0 HD11 ILE A 113 6.818 -2.782 -2.734 1.00 0.43 H new ATOM 0 HD12 ILE A 113 6.036 -4.355 -3.021 1.00 0.43 H new ATOM 0 HD13 ILE A 113 7.684 -4.057 -3.624 1.00 0.43 H new ATOM 1230 N LYS A 114 4.433 -5.658 -7.999 1.00 0.38 N ATOM 1231 CA LYS A 114 4.417 -6.732 -8.985 1.00 0.46 C ATOM 1232 C LYS A 114 3.835 -6.255 -10.312 1.00 0.45 C ATOM 1233 O LYS A 114 4.284 -6.695 -11.359 1.00 0.49 O ATOM 1234 CB LYS A 114 3.687 -7.990 -8.490 1.00 0.57 C ATOM 1235 CG LYS A 114 2.214 -7.802 -8.170 1.00 0.71 C ATOM 1236 CD LYS A 114 1.528 -9.143 -7.925 1.00 0.79 C ATOM 1237 CE LYS A 114 2.301 -9.998 -6.926 1.00 1.39 C ATOM 1238 NZ LYS A 114 1.811 -11.405 -6.889 1.00 1.81 N ATOM 0 H LYS A 114 3.803 -5.786 -7.207 1.00 0.38 H new ATOM 0 HA LYS A 114 5.458 -7.016 -9.143 1.00 0.46 H new ATOM 0 HB2 LYS A 114 3.781 -8.767 -9.249 1.00 0.57 H new ATOM 0 HB3 LYS A 114 4.192 -8.355 -7.596 1.00 0.57 H new ATOM 0 HG2 LYS A 114 2.108 -7.170 -7.288 1.00 0.71 H new ATOM 0 HG3 LYS A 114 1.723 -7.284 -8.994 1.00 0.71 H new ATOM 0 HD2 LYS A 114 0.518 -8.972 -7.553 1.00 0.79 H new ATOM 0 HD3 LYS A 114 1.434 -9.681 -8.868 1.00 0.79 H new ATOM 0 HE2 LYS A 114 3.359 -9.991 -7.187 1.00 1.39 H new ATOM 0 HE3 LYS A 114 2.215 -9.559 -5.932 1.00 1.39 H new ATOM 0 HZ1 LYS A 114 2.467 -11.986 -6.329 1.00 1.81 H new ATOM 0 HZ2 LYS A 114 0.866 -11.432 -6.455 1.00 1.81 H new ATOM 0 HZ3 LYS A 114 1.757 -11.780 -7.858 1.00 1.81 H new ATOM 1252 N VAL A 115 2.864 -5.343 -10.269 1.00 0.43 N ATOM 1253 CA VAL A 115 2.310 -4.762 -11.492 1.00 0.46 C ATOM 1254 C VAL A 115 3.414 -4.073 -12.294 1.00 0.43 C ATOM 1255 O VAL A 115 3.566 -4.315 -13.493 1.00 0.48 O ATOM 1256 CB VAL A 115 1.168 -3.760 -11.190 1.00 0.50 C ATOM 1257 CG1 VAL A 115 0.826 -2.921 -12.411 1.00 0.91 C ATOM 1258 CG2 VAL A 115 -0.071 -4.500 -10.717 1.00 0.76 C ATOM 0 H VAL A 115 2.447 -4.992 -9.407 1.00 0.43 H new ATOM 0 HA VAL A 115 1.887 -5.576 -12.081 1.00 0.46 H new ATOM 0 HB VAL A 115 1.516 -3.092 -10.402 1.00 0.50 H new ATOM 0 HG11 VAL A 115 0.021 -2.229 -12.163 1.00 0.91 H new ATOM 0 HG12 VAL A 115 1.705 -2.358 -12.723 1.00 0.91 H new ATOM 0 HG13 VAL A 115 0.506 -3.574 -13.223 1.00 0.91 H new ATOM 0 HG21 VAL A 115 -0.865 -3.783 -10.508 1.00 0.76 H new ATOM 0 HG22 VAL A 115 -0.400 -5.191 -11.493 1.00 0.76 H new ATOM 0 HG23 VAL A 115 0.162 -5.057 -9.810 1.00 0.76 H new ATOM 1268 N LYS A 116 4.183 -3.219 -11.629 1.00 0.40 N ATOM 1269 CA LYS A 116 5.365 -2.617 -12.224 1.00 0.41 C ATOM 1270 C LYS A 116 6.312 -3.690 -12.778 1.00 0.47 C ATOM 1271 O LYS A 116 6.757 -3.610 -13.924 1.00 0.54 O ATOM 1272 CB LYS A 116 6.077 -1.792 -11.160 1.00 0.39 C ATOM 1273 CG LYS A 116 7.138 -0.857 -11.703 1.00 0.88 C ATOM 1274 CD LYS A 116 6.556 0.122 -12.705 1.00 0.77 C ATOM 1275 CE LYS A 116 7.477 1.304 -12.904 1.00 0.85 C ATOM 1276 NZ LYS A 116 7.007 2.197 -13.993 1.00 1.06 N ATOM 0 H LYS A 116 4.005 -2.927 -10.668 1.00 0.40 H new ATOM 0 HA LYS A 116 5.063 -1.981 -13.056 1.00 0.41 H new ATOM 0 HB2 LYS A 116 5.337 -1.206 -10.616 1.00 0.39 H new ATOM 0 HB3 LYS A 116 6.539 -2.469 -10.441 1.00 0.39 H new ATOM 0 HG2 LYS A 116 7.596 -0.308 -10.880 1.00 0.88 H new ATOM 0 HG3 LYS A 116 7.928 -1.438 -12.178 1.00 0.88 H new ATOM 0 HD2 LYS A 116 6.393 -0.381 -13.658 1.00 0.77 H new ATOM 0 HD3 LYS A 116 5.583 0.469 -12.357 1.00 0.77 H new ATOM 0 HE2 LYS A 116 7.546 1.870 -11.975 1.00 0.85 H new ATOM 0 HE3 LYS A 116 8.481 0.947 -13.135 1.00 0.85 H new ATOM 0 HZ1 LYS A 116 7.766 2.320 -14.693 1.00 1.06 H new ATOM 0 HZ2 LYS A 116 6.176 1.774 -14.454 1.00 1.06 H new ATOM 0 HZ3 LYS A 116 6.749 3.123 -13.596 1.00 1.06 H new ATOM 1290 N LEU A 117 6.598 -4.703 -11.963 1.00 0.47 N ATOM 1291 CA LEU A 117 7.521 -5.776 -12.340 1.00 0.57 C ATOM 1292 C LEU A 117 6.976 -6.640 -13.475 1.00 0.64 C ATOM 1293 O LEU A 117 7.735 -7.337 -14.150 1.00 0.75 O ATOM 1294 CB LEU A 117 7.845 -6.660 -11.129 1.00 0.59 C ATOM 1295 CG LEU A 117 9.096 -6.264 -10.335 1.00 0.86 C ATOM 1296 CD1 LEU A 117 10.330 -6.328 -11.220 1.00 1.48 C ATOM 1297 CD2 LEU A 117 8.942 -4.876 -9.735 1.00 1.59 C ATOM 0 H LEU A 117 6.201 -4.805 -11.029 1.00 0.47 H new ATOM 0 HA LEU A 117 8.432 -5.295 -12.696 1.00 0.57 H new ATOM 0 HB2 LEU A 117 6.989 -6.648 -10.454 1.00 0.59 H new ATOM 0 HB3 LEU A 117 7.965 -7.687 -11.473 1.00 0.59 H new ATOM 0 HG LEU A 117 9.218 -6.975 -9.517 1.00 0.86 H new ATOM 0 HD11 LEU A 117 11.208 -6.044 -10.641 1.00 1.48 H new ATOM 0 HD12 LEU A 117 10.456 -7.343 -11.596 1.00 1.48 H new ATOM 0 HD13 LEU A 117 10.212 -5.643 -12.059 1.00 1.48 H new ATOM 0 HD21 LEU A 117 9.842 -4.619 -9.177 1.00 1.59 H new ATOM 0 HD22 LEU A 117 8.790 -4.149 -10.533 1.00 1.59 H new ATOM 0 HD23 LEU A 117 8.083 -4.863 -9.064 1.00 1.59 H new ATOM 1309 N GLU A 118 5.665 -6.610 -13.685 1.00 0.61 N ATOM 1310 CA GLU A 118 5.056 -7.343 -14.791 1.00 0.69 C ATOM 1311 C GLU A 118 5.287 -6.615 -16.109 1.00 0.70 C ATOM 1312 O GLU A 118 4.945 -7.122 -17.179 1.00 0.85 O ATOM 1313 CB GLU A 118 3.551 -7.513 -14.588 1.00 0.70 C ATOM 1314 CG GLU A 118 3.159 -8.425 -13.442 1.00 0.80 C ATOM 1315 CD GLU A 118 1.665 -8.669 -13.402 1.00 1.36 C ATOM 1316 OE1 GLU A 118 0.929 -7.814 -12.871 1.00 2.05 O ATOM 1317 OE2 GLU A 118 1.223 -9.709 -13.931 1.00 1.71 O ATOM 0 H GLU A 118 5.005 -6.089 -13.108 1.00 0.61 H new ATOM 0 HA GLU A 118 5.527 -8.326 -14.819 1.00 0.69 H new ATOM 0 HB2 GLU A 118 3.109 -6.531 -14.419 1.00 0.70 H new ATOM 0 HB3 GLU A 118 3.117 -7.904 -15.508 1.00 0.70 H new ATOM 0 HG2 GLU A 118 3.680 -9.377 -13.541 1.00 0.80 H new ATOM 0 HG3 GLU A 118 3.480 -7.982 -12.499 1.00 0.80 H new ATOM 1324 N GLY A 119 5.860 -5.425 -16.022 1.00 0.60 N ATOM 1325 CA GLY A 119 6.058 -4.610 -17.198 1.00 0.62 C ATOM 1326 C GLY A 119 4.900 -3.661 -17.406 1.00 0.65 C ATOM 1327 O GLY A 119 4.595 -3.272 -18.533 1.00 0.68 O ATOM 0 H GLY A 119 6.193 -5.009 -15.152 1.00 0.60 H new ATOM 0 HA2 GLY A 119 6.983 -4.043 -17.099 1.00 0.62 H new ATOM 0 HA3 GLY A 119 6.169 -5.250 -18.073 1.00 0.62 H new ATOM 1331 N HIS A 120 4.239 -3.297 -16.315 1.00 0.70 N ATOM 1332 CA HIS A 120 3.117 -2.375 -16.388 1.00 0.78 C ATOM 1333 C HIS A 120 3.474 -1.072 -15.695 1.00 0.75 C ATOM 1334 O HIS A 120 4.599 -0.892 -15.226 1.00 0.92 O ATOM 1335 CB HIS A 120 1.858 -2.953 -15.724 1.00 0.80 C ATOM 1336 CG HIS A 120 1.428 -4.306 -16.210 1.00 0.90 C ATOM 1337 ND1 HIS A 120 1.035 -5.402 -15.517 1.00 1.08 N flip ATOM 1338 CD2 HIS A 120 1.332 -4.644 -17.539 1.00 0.97 C flip ATOM 1339 CE1 HIS A 120 0.707 -6.373 -16.430 1.00 1.16 C flip ATOM 1340 NE2 HIS A 120 0.897 -5.889 -17.644 1.00 1.10 N flip ATOM 0 H HIS A 120 4.460 -3.625 -15.375 1.00 0.70 H new ATOM 0 HA HIS A 120 2.906 -2.204 -17.444 1.00 0.78 H new ATOM 0 HB2 HIS A 120 2.031 -3.011 -14.649 1.00 0.80 H new ATOM 0 HB3 HIS A 120 1.036 -2.254 -15.877 1.00 0.80 H new ATOM 0 HD2 HIS A 120 1.574 -3.995 -18.368 1.00 0.97 H new ATOM 0 HE1 HIS A 120 0.353 -7.366 -16.195 1.00 1.16 H new ATOM 0 HE2 HIS A 120 0.735 -6.391 -18.517 1.00 1.10 H new ATOM 1349 N GLU A 121 2.514 -0.171 -15.638 1.00 0.78 N ATOM 1350 CA GLU A 121 2.659 1.056 -14.880 1.00 0.84 C ATOM 1351 C GLU A 121 1.518 1.148 -13.885 1.00 0.84 C ATOM 1352 O GLU A 121 0.394 0.739 -14.182 1.00 0.98 O ATOM 1353 CB GLU A 121 2.670 2.276 -15.805 1.00 1.05 C ATOM 1354 CG GLU A 121 2.900 3.595 -15.078 1.00 1.71 C ATOM 1355 CD GLU A 121 4.239 3.648 -14.362 1.00 2.10 C ATOM 1356 OE1 GLU A 121 4.354 3.079 -13.258 1.00 2.69 O ATOM 1357 OE2 GLU A 121 5.193 4.246 -14.904 1.00 2.11 O ATOM 0 H GLU A 121 1.616 -0.267 -16.113 1.00 0.78 H new ATOM 0 HA GLU A 121 3.611 1.044 -14.349 1.00 0.84 H new ATOM 0 HB2 GLU A 121 3.449 2.145 -16.556 1.00 1.05 H new ATOM 0 HB3 GLU A 121 1.720 2.326 -16.337 1.00 1.05 H new ATOM 0 HG2 GLU A 121 2.844 4.414 -15.795 1.00 1.71 H new ATOM 0 HG3 GLU A 121 2.100 3.750 -14.354 1.00 1.71 H new ATOM 1364 N LEU A 122 1.810 1.649 -12.702 1.00 0.88 N ATOM 1365 CA LEU A 122 0.803 1.766 -11.667 1.00 0.89 C ATOM 1366 C LEU A 122 0.018 3.066 -11.835 1.00 0.96 C ATOM 1367 O LEU A 122 0.584 4.103 -12.189 1.00 1.08 O ATOM 1368 CB LEU A 122 1.451 1.643 -10.278 1.00 0.90 C ATOM 1369 CG LEU A 122 2.756 2.418 -10.082 1.00 0.58 C ATOM 1370 CD1 LEU A 122 2.496 3.758 -9.419 1.00 1.21 C ATOM 1371 CD2 LEU A 122 3.749 1.596 -9.269 1.00 0.74 C ATOM 0 H LEU A 122 2.736 1.982 -12.433 1.00 0.88 H new ATOM 0 HA LEU A 122 0.089 0.948 -11.761 1.00 0.89 H new ATOM 0 HB2 LEU A 122 0.733 1.982 -9.531 1.00 0.90 H new ATOM 0 HB3 LEU A 122 1.643 0.589 -10.079 1.00 0.90 H new ATOM 0 HG LEU A 122 3.190 2.608 -11.064 1.00 0.58 H new ATOM 0 HD11 LEU A 122 3.439 4.290 -9.291 1.00 1.21 H new ATOM 0 HD12 LEU A 122 1.828 4.350 -10.045 1.00 1.21 H new ATOM 0 HD13 LEU A 122 2.034 3.598 -8.445 1.00 1.21 H new ATOM 0 HD21 LEU A 122 4.671 2.163 -9.140 1.00 0.74 H new ATOM 0 HD22 LEU A 122 3.321 1.371 -8.292 1.00 0.74 H new ATOM 0 HD23 LEU A 122 3.966 0.665 -9.793 1.00 0.74 H new ATOM 1383 N PRO A 123 -1.309 3.016 -11.591 1.00 1.00 N ATOM 1384 CA PRO A 123 -2.233 4.126 -11.891 1.00 1.15 C ATOM 1385 C PRO A 123 -1.887 5.435 -11.188 1.00 1.04 C ATOM 1386 O PRO A 123 -2.394 6.492 -11.562 1.00 1.16 O ATOM 1387 CB PRO A 123 -3.590 3.621 -11.389 1.00 1.28 C ATOM 1388 CG PRO A 123 -3.462 2.140 -11.295 1.00 1.19 C ATOM 1389 CD PRO A 123 -2.014 1.855 -11.015 1.00 1.01 C ATOM 0 HA PRO A 123 -2.198 4.366 -12.954 1.00 1.15 H new ATOM 0 HB2 PRO A 123 -3.834 4.055 -10.419 1.00 1.28 H new ATOM 0 HB3 PRO A 123 -4.390 3.902 -12.074 1.00 1.28 H new ATOM 0 HG2 PRO A 123 -4.096 1.745 -10.501 1.00 1.19 H new ATOM 0 HG3 PRO A 123 -3.779 1.663 -12.223 1.00 1.19 H new ATOM 0 HD2 PRO A 123 -1.824 1.762 -9.946 1.00 1.01 H new ATOM 0 HD3 PRO A 123 -1.693 0.922 -11.478 1.00 1.01 H new ATOM 1397 N ALA A 124 -1.046 5.343 -10.166 1.00 0.88 N ATOM 1398 CA ALA A 124 -0.644 6.501 -9.358 1.00 0.86 C ATOM 1399 C ALA A 124 -1.851 7.132 -8.668 1.00 0.82 C ATOM 1400 O ALA A 124 -1.801 8.277 -8.215 1.00 0.88 O ATOM 1401 CB ALA A 124 0.086 7.532 -10.214 1.00 1.06 C ATOM 0 H ALA A 124 -0.620 4.465 -9.869 1.00 0.88 H new ATOM 0 HA ALA A 124 0.041 6.150 -8.587 1.00 0.86 H new ATOM 0 HB1 ALA A 124 0.374 8.381 -9.594 1.00 1.06 H new ATOM 0 HB2 ALA A 124 0.978 7.079 -10.647 1.00 1.06 H new ATOM 0 HB3 ALA A 124 -0.572 7.873 -11.013 1.00 1.06 H new ATOM 1407 N ASP A 125 -2.931 6.370 -8.589 1.00 0.82 N ATOM 1408 CA ASP A 125 -4.131 6.786 -7.884 1.00 0.84 C ATOM 1409 C ASP A 125 -4.647 5.639 -7.042 1.00 0.83 C ATOM 1410 O ASP A 125 -4.139 4.521 -7.133 1.00 0.85 O ATOM 1411 CB ASP A 125 -5.227 7.228 -8.854 1.00 0.90 C ATOM 1412 CG ASP A 125 -5.026 8.635 -9.375 1.00 1.36 C ATOM 1413 OD1 ASP A 125 -5.230 9.593 -8.596 1.00 1.93 O ATOM 1414 OD2 ASP A 125 -4.698 8.794 -10.570 1.00 1.76 O ATOM 0 H ASP A 125 -2.999 5.445 -9.013 1.00 0.82 H new ATOM 0 HA ASP A 125 -3.871 7.634 -7.251 1.00 0.84 H new ATOM 0 HB2 ASP A 125 -5.260 6.536 -9.696 1.00 0.90 H new ATOM 0 HB3 ASP A 125 -6.193 7.167 -8.354 1.00 0.90 H new ATOM 1419 N LEU A 126 -5.660 5.908 -6.243 1.00 0.84 N ATOM 1420 CA LEU A 126 -6.309 4.868 -5.472 1.00 0.85 C ATOM 1421 C LEU A 126 -7.799 4.845 -5.796 1.00 0.82 C ATOM 1422 O LEU A 126 -8.573 5.640 -5.259 1.00 0.86 O ATOM 1423 CB LEU A 126 -6.082 5.092 -3.977 1.00 0.92 C ATOM 1424 CG LEU A 126 -5.458 3.907 -3.236 1.00 0.94 C ATOM 1425 CD1 LEU A 126 -5.265 4.242 -1.770 1.00 1.85 C ATOM 1426 CD2 LEU A 126 -6.316 2.663 -3.384 1.00 1.62 C ATOM 0 H LEU A 126 -6.052 6.840 -6.111 1.00 0.84 H new ATOM 0 HA LEU A 126 -5.877 3.903 -5.737 1.00 0.85 H new ATOM 0 HB2 LEU A 126 -5.438 5.962 -3.848 1.00 0.92 H new ATOM 0 HB3 LEU A 126 -7.038 5.331 -3.511 1.00 0.92 H new ATOM 0 HG LEU A 126 -4.483 3.704 -3.680 1.00 0.94 H new ATOM 0 HD11 LEU A 126 -4.820 3.389 -1.257 1.00 1.85 H new ATOM 0 HD12 LEU A 126 -4.605 5.105 -1.678 1.00 1.85 H new ATOM 0 HD13 LEU A 126 -6.230 4.473 -1.319 1.00 1.85 H new ATOM 0 HD21 LEU A 126 -5.851 1.835 -2.849 1.00 1.62 H new ATOM 0 HD22 LEU A 126 -7.306 2.853 -2.970 1.00 1.62 H new ATOM 0 HD23 LEU A 126 -6.407 2.407 -4.440 1.00 1.62 H new ATOM 1438 N PRO A 127 -8.202 3.965 -6.728 1.00 0.79 N ATOM 1439 CA PRO A 127 -9.604 3.810 -7.135 1.00 0.78 C ATOM 1440 C PRO A 127 -10.538 3.547 -5.956 1.00 0.79 C ATOM 1441 O PRO A 127 -10.155 2.892 -4.987 1.00 0.81 O ATOM 1442 CB PRO A 127 -9.581 2.593 -8.061 1.00 0.90 C ATOM 1443 CG PRO A 127 -8.183 2.507 -8.562 1.00 0.76 C ATOM 1444 CD PRO A 127 -7.304 3.068 -7.479 1.00 0.81 C ATOM 0 HA PRO A 127 -9.982 4.719 -7.603 1.00 0.78 H new ATOM 0 HB2 PRO A 127 -9.863 1.686 -7.526 1.00 0.90 H new ATOM 0 HB3 PRO A 127 -10.287 2.711 -8.883 1.00 0.90 H new ATOM 0 HG2 PRO A 127 -7.914 1.474 -8.784 1.00 0.76 H new ATOM 0 HG3 PRO A 127 -8.067 3.072 -9.487 1.00 0.76 H new ATOM 0 HD2 PRO A 127 -6.901 2.280 -6.842 1.00 0.81 H new ATOM 0 HD3 PRO A 127 -6.453 3.609 -7.894 1.00 0.81 H new ATOM 1452 N PRO A 128 -11.790 4.030 -6.039 1.00 0.82 N ATOM 1453 CA PRO A 128 -12.793 3.857 -4.975 1.00 0.89 C ATOM 1454 C PRO A 128 -13.065 2.391 -4.653 1.00 0.92 C ATOM 1455 O PRO A 128 -13.476 2.057 -3.541 1.00 1.00 O ATOM 1456 CB PRO A 128 -14.051 4.509 -5.551 1.00 0.98 C ATOM 1457 CG PRO A 128 -13.552 5.451 -6.592 1.00 1.02 C ATOM 1458 CD PRO A 128 -12.325 4.807 -7.170 1.00 0.86 C ATOM 0 HA PRO A 128 -12.455 4.298 -4.037 1.00 0.89 H new ATOM 0 HB2 PRO A 128 -14.721 3.764 -5.981 1.00 0.98 H new ATOM 0 HB3 PRO A 128 -14.612 5.035 -4.779 1.00 0.98 H new ATOM 0 HG2 PRO A 128 -14.305 5.618 -7.362 1.00 1.02 H new ATOM 0 HG3 PRO A 128 -13.317 6.423 -6.159 1.00 1.02 H new ATOM 0 HD2 PRO A 128 -12.567 4.168 -8.019 1.00 0.86 H new ATOM 0 HD3 PRO A 128 -11.609 5.549 -7.524 1.00 0.86 H new ATOM 1466 N HIS A 129 -12.824 1.518 -5.623 1.00 0.90 N ATOM 1467 CA HIS A 129 -13.041 0.091 -5.419 1.00 0.96 C ATOM 1468 C HIS A 129 -11.815 -0.565 -4.787 1.00 0.95 C ATOM 1469 O HIS A 129 -11.777 -1.779 -4.613 1.00 1.02 O ATOM 1470 CB HIS A 129 -13.412 -0.619 -6.734 1.00 1.02 C ATOM 1471 CG HIS A 129 -12.327 -0.653 -7.779 1.00 1.03 C ATOM 1472 ND1 HIS A 129 -11.162 -1.345 -7.832 1.00 1.10 N flip ATOM 1473 CD2 HIS A 129 -12.400 0.049 -8.959 1.00 1.08 C flip ATOM 1474 CE1 HIS A 129 -10.559 -1.048 -9.030 1.00 1.14 C flip ATOM 1475 NE2 HIS A 129 -11.329 -0.204 -9.689 1.00 1.14 N flip ATOM 0 H HIS A 129 -12.481 1.769 -6.550 1.00 0.90 H new ATOM 0 HA HIS A 129 -13.881 -0.013 -4.733 1.00 0.96 H new ATOM 0 HB2 HIS A 129 -13.704 -1.644 -6.504 1.00 1.02 H new ATOM 0 HB3 HIS A 129 -14.287 -0.126 -7.159 1.00 1.02 H new ATOM 0 HD2 HIS A 129 -13.208 0.706 -9.245 1.00 1.08 H new ATOM 0 HE1 HIS A 129 -9.613 -1.440 -9.374 1.00 1.14 H new ATOM 0 HE2 HIS A 129 -11.130 0.188 -10.609 1.00 1.14 H new ATOM 1484 N LEU A 130 -10.811 0.245 -4.469 1.00 0.89 N ATOM 1485 CA LEU A 130 -9.596 -0.247 -3.834 1.00 0.92 C ATOM 1486 C LEU A 130 -9.390 0.386 -2.463 1.00 0.93 C ATOM 1487 O LEU A 130 -8.783 -0.225 -1.585 1.00 1.06 O ATOM 1488 CB LEU A 130 -8.372 0.003 -4.721 1.00 0.89 C ATOM 1489 CG LEU A 130 -8.221 -0.961 -5.897 1.00 0.94 C ATOM 1490 CD1 LEU A 130 -6.980 -0.629 -6.705 1.00 1.32 C ATOM 1491 CD2 LEU A 130 -8.160 -2.396 -5.396 1.00 1.34 C ATOM 0 H LEU A 130 -10.816 1.250 -4.642 1.00 0.89 H new ATOM 0 HA LEU A 130 -9.713 -1.322 -3.699 1.00 0.92 H new ATOM 0 HB2 LEU A 130 -8.424 1.020 -5.109 1.00 0.89 H new ATOM 0 HB3 LEU A 130 -7.476 -0.057 -4.104 1.00 0.89 H new ATOM 0 HG LEU A 130 -9.090 -0.854 -6.546 1.00 0.94 H new ATOM 0 HD11 LEU A 130 -6.890 -1.327 -7.538 1.00 1.32 H new ATOM 0 HD12 LEU A 130 -7.058 0.388 -7.090 1.00 1.32 H new ATOM 0 HD13 LEU A 130 -6.099 -0.709 -6.068 1.00 1.32 H new ATOM 0 HD21 LEU A 130 -8.052 -3.073 -6.243 1.00 1.34 H new ATOM 0 HD22 LEU A 130 -7.306 -2.512 -4.728 1.00 1.34 H new ATOM 0 HD23 LEU A 130 -9.077 -2.632 -4.857 1.00 1.34 H new ATOM 1503 N VAL A 131 -9.885 1.607 -2.273 1.00 0.90 N ATOM 1504 CA VAL A 131 -9.766 2.263 -0.985 1.00 0.95 C ATOM 1505 C VAL A 131 -10.593 1.528 0.070 1.00 1.00 C ATOM 1506 O VAL A 131 -11.748 1.168 -0.171 1.00 1.11 O ATOM 1507 CB VAL A 131 -10.179 3.752 -1.047 1.00 1.07 C ATOM 1508 CG1 VAL A 131 -9.254 4.517 -1.972 1.00 1.56 C ATOM 1509 CG2 VAL A 131 -11.619 3.918 -1.490 1.00 1.57 C ATOM 0 H VAL A 131 -10.366 2.152 -2.989 1.00 0.90 H new ATOM 0 HA VAL A 131 -8.714 2.228 -0.703 1.00 0.95 H new ATOM 0 HB VAL A 131 -10.094 4.159 -0.039 1.00 1.07 H new ATOM 0 HG11 VAL A 131 -9.557 5.563 -2.006 1.00 1.56 H new ATOM 0 HG12 VAL A 131 -8.231 4.447 -1.603 1.00 1.56 H new ATOM 0 HG13 VAL A 131 -9.308 4.091 -2.974 1.00 1.56 H new ATOM 0 HG21 VAL A 131 -11.870 4.978 -1.521 1.00 1.57 H new ATOM 0 HG22 VAL A 131 -11.746 3.486 -2.483 1.00 1.57 H new ATOM 0 HG23 VAL A 131 -12.277 3.409 -0.786 1.00 1.57 H new ATOM 1519 N PRO A 132 -9.988 1.269 1.239 1.00 1.06 N ATOM 1520 CA PRO A 132 -10.645 0.570 2.349 1.00 1.23 C ATOM 1521 C PRO A 132 -11.851 1.338 2.896 1.00 1.32 C ATOM 1522 O PRO A 132 -11.966 2.549 2.694 1.00 1.30 O ATOM 1523 CB PRO A 132 -9.547 0.478 3.416 1.00 1.35 C ATOM 1524 CG PRO A 132 -8.576 1.545 3.061 1.00 1.33 C ATOM 1525 CD PRO A 132 -8.597 1.628 1.563 1.00 1.08 C ATOM 0 HA PRO A 132 -11.041 -0.397 2.037 1.00 1.23 H new ATOM 0 HB2 PRO A 132 -9.954 0.631 4.415 1.00 1.35 H new ATOM 0 HB3 PRO A 132 -9.074 -0.504 3.412 1.00 1.35 H new ATOM 0 HG2 PRO A 132 -8.858 2.497 3.510 1.00 1.33 H new ATOM 0 HG3 PRO A 132 -7.578 1.304 3.426 1.00 1.33 H new ATOM 0 HD2 PRO A 132 -8.344 2.627 1.209 1.00 1.08 H new ATOM 0 HD3 PRO A 132 -7.885 0.939 1.109 1.00 1.08 H new ATOM 1533 N PRO A 133 -12.759 0.640 3.607 1.00 1.52 N ATOM 1534 CA PRO A 133 -13.955 1.254 4.208 1.00 1.77 C ATOM 1535 C PRO A 133 -13.618 2.424 5.135 1.00 1.82 C ATOM 1536 O PRO A 133 -14.428 3.329 5.328 1.00 2.01 O ATOM 1537 CB PRO A 133 -14.583 0.107 5.007 1.00 2.05 C ATOM 1538 CG PRO A 133 -14.086 -1.130 4.346 1.00 1.80 C ATOM 1539 CD PRO A 133 -12.701 -0.810 3.865 1.00 1.63 C ATOM 0 HA PRO A 133 -14.612 1.677 3.449 1.00 1.77 H new ATOM 0 HB2 PRO A 133 -14.284 0.144 6.055 1.00 2.05 H new ATOM 0 HB3 PRO A 133 -15.672 0.158 4.984 1.00 2.05 H new ATOM 0 HG2 PRO A 133 -14.074 -1.968 5.043 1.00 1.80 H new ATOM 0 HG3 PRO A 133 -14.732 -1.416 3.516 1.00 1.80 H new ATOM 0 HD2 PRO A 133 -11.948 -1.056 4.614 1.00 1.63 H new ATOM 0 HD3 PRO A 133 -12.449 -1.369 2.964 1.00 1.63 H new ATOM 1547 N SER A 134 -12.412 2.414 5.686 1.00 1.74 N ATOM 1548 CA SER A 134 -11.962 3.474 6.580 1.00 1.88 C ATOM 1549 C SER A 134 -11.688 4.773 5.810 1.00 1.70 C ATOM 1550 O SER A 134 -11.445 5.821 6.408 1.00 1.80 O ATOM 1551 CB SER A 134 -10.702 3.016 7.330 1.00 1.98 C ATOM 1552 OG SER A 134 -10.336 3.932 8.349 1.00 2.66 O ATOM 0 H SER A 134 -11.723 1.679 5.529 1.00 1.74 H new ATOM 0 HA SER A 134 -12.754 3.679 7.300 1.00 1.88 H new ATOM 0 HB2 SER A 134 -10.877 2.034 7.769 1.00 1.98 H new ATOM 0 HB3 SER A 134 -9.878 2.908 6.625 1.00 1.98 H new ATOM 0 HG SER A 134 -10.537 4.845 8.056 1.00 2.66 H new ATOM 1558 N LYS A 135 -11.742 4.710 4.486 1.00 1.54 N ATOM 1559 CA LYS A 135 -11.453 5.871 3.653 1.00 1.51 C ATOM 1560 C LYS A 135 -12.697 6.385 2.939 1.00 1.68 C ATOM 1561 O LYS A 135 -12.604 7.285 2.105 1.00 1.78 O ATOM 1562 CB LYS A 135 -10.384 5.512 2.627 1.00 1.41 C ATOM 1563 CG LYS A 135 -8.992 5.379 3.217 1.00 1.61 C ATOM 1564 CD LYS A 135 -8.372 6.734 3.527 1.00 1.57 C ATOM 1565 CE LYS A 135 -8.245 7.582 2.270 1.00 2.32 C ATOM 1566 NZ LYS A 135 -7.433 8.807 2.491 1.00 3.10 N ATOM 0 H LYS A 135 -11.983 3.867 3.965 1.00 1.54 H new ATOM 0 HA LYS A 135 -11.094 6.666 4.306 1.00 1.51 H new ATOM 0 HB2 LYS A 135 -10.656 4.573 2.145 1.00 1.41 H new ATOM 0 HB3 LYS A 135 -10.368 6.276 1.850 1.00 1.41 H new ATOM 0 HG2 LYS A 135 -9.040 4.785 4.130 1.00 1.61 H new ATOM 0 HG3 LYS A 135 -8.352 4.839 2.519 1.00 1.61 H new ATOM 0 HD2 LYS A 135 -8.984 7.257 4.262 1.00 1.57 H new ATOM 0 HD3 LYS A 135 -7.388 6.593 3.974 1.00 1.57 H new ATOM 0 HE2 LYS A 135 -7.791 6.987 1.478 1.00 2.32 H new ATOM 0 HE3 LYS A 135 -9.239 7.866 1.925 1.00 2.32 H new ATOM 0 HZ1 LYS A 135 -7.376 9.350 1.606 1.00 3.10 H new ATOM 0 HZ2 LYS A 135 -7.879 9.391 3.228 1.00 3.10 H new ATOM 0 HZ3 LYS A 135 -6.475 8.539 2.794 1.00 3.10 H new ATOM 1580 N ARG A 136 -13.854 5.803 3.250 1.00 1.84 N ATOM 1581 CA ARG A 136 -15.113 6.253 2.658 1.00 2.11 C ATOM 1582 C ARG A 136 -15.380 7.725 2.942 1.00 2.38 C ATOM 1583 O ARG A 136 -15.587 8.127 4.088 1.00 2.59 O ATOM 1584 CB ARG A 136 -16.288 5.420 3.162 1.00 2.43 C ATOM 1585 CG ARG A 136 -16.184 3.958 2.790 1.00 2.07 C ATOM 1586 CD ARG A 136 -16.085 3.763 1.285 1.00 2.16 C ATOM 1587 NE ARG A 136 -15.761 2.385 0.957 1.00 2.41 N ATOM 1588 CZ ARG A 136 -15.016 2.019 -0.079 1.00 3.06 C ATOM 1589 NH1 ARG A 136 -14.623 2.917 -0.973 1.00 3.21 N ATOM 1590 NH2 ARG A 136 -14.674 0.749 -0.212 1.00 3.86 N ATOM 0 H ARG A 136 -13.946 5.025 3.903 1.00 1.84 H new ATOM 0 HA ARG A 136 -15.014 6.121 1.581 1.00 2.11 H new ATOM 0 HB2 ARG A 136 -16.349 5.509 4.247 1.00 2.43 H new ATOM 0 HB3 ARG A 136 -17.214 5.827 2.756 1.00 2.43 H new ATOM 0 HG2 ARG A 136 -15.308 3.522 3.271 1.00 2.07 H new ATOM 0 HG3 ARG A 136 -17.055 3.424 3.169 1.00 2.07 H new ATOM 0 HD2 ARG A 136 -17.029 4.039 0.816 1.00 2.16 H new ATOM 0 HD3 ARG A 136 -15.321 4.426 0.879 1.00 2.16 H new ATOM 0 HE ARG A 136 -16.130 1.651 1.562 1.00 2.41 H new ATOM 0 HH11 ARG A 136 -14.893 3.895 -0.866 1.00 3.21 H new ATOM 0 HH12 ARG A 136 -14.051 2.630 -1.767 1.00 3.21 H new ATOM 0 HH21 ARG A 136 -14.982 0.063 0.477 1.00 3.86 H new ATOM 0 HH22 ARG A 136 -14.102 0.455 -1.004 1.00 3.86 H new ATOM 1604 N ARG A 137 -15.369 8.516 1.883 1.00 2.52 N ATOM 1605 CA ARG A 137 -15.704 9.925 1.963 1.00 2.92 C ATOM 1606 C ARG A 137 -16.911 10.193 1.080 1.00 3.35 C ATOM 1607 O ARG A 137 -17.265 9.357 0.252 1.00 3.45 O ATOM 1608 CB ARG A 137 -14.519 10.780 1.509 1.00 3.10 C ATOM 1609 CG ARG A 137 -13.353 10.761 2.479 1.00 3.38 C ATOM 1610 CD ARG A 137 -13.720 11.438 3.790 1.00 3.56 C ATOM 1611 NE ARG A 137 -14.115 12.835 3.586 1.00 3.80 N ATOM 1612 CZ ARG A 137 -15.055 13.466 4.294 1.00 4.35 C ATOM 1613 NH1 ARG A 137 -15.732 12.816 5.238 1.00 4.68 N ATOM 1614 NH2 ARG A 137 -15.327 14.742 4.042 1.00 5.00 N ATOM 0 H ARG A 137 -15.127 8.199 0.944 1.00 2.52 H new ATOM 0 HA ARG A 137 -15.937 10.186 2.995 1.00 2.92 H new ATOM 0 HB2 ARG A 137 -14.178 10.427 0.536 1.00 3.10 H new ATOM 0 HB3 ARG A 137 -14.853 11.809 1.375 1.00 3.10 H new ATOM 0 HG2 ARG A 137 -13.052 9.731 2.670 1.00 3.38 H new ATOM 0 HG3 ARG A 137 -12.496 11.266 2.033 1.00 3.38 H new ATOM 0 HD2 ARG A 137 -14.537 10.894 4.264 1.00 3.56 H new ATOM 0 HD3 ARG A 137 -12.871 11.396 4.472 1.00 3.56 H new ATOM 0 HE ARG A 137 -13.639 13.361 2.853 1.00 3.80 H new ATOM 0 HH11 ARG A 137 -15.533 11.833 5.423 1.00 4.68 H new ATOM 0 HH12 ARG A 137 -16.449 13.301 5.777 1.00 4.68 H new ATOM 0 HH21 ARG A 137 -14.818 15.237 3.309 1.00 5.00 H new ATOM 0 HH22 ARG A 137 -16.045 15.227 4.581 1.00 5.00 H new ATOM 1628 N HIS A 138 -17.554 11.335 1.252 1.00 3.83 N ATOM 1629 CA HIS A 138 -18.685 11.668 0.406 1.00 4.40 C ATOM 1630 C HIS A 138 -18.373 12.921 -0.395 1.00 4.88 C ATOM 1631 O HIS A 138 -18.171 13.998 0.167 1.00 5.25 O ATOM 1632 CB HIS A 138 -19.960 11.851 1.228 1.00 4.87 C ATOM 1633 CG HIS A 138 -21.190 11.438 0.482 1.00 5.39 C ATOM 1634 ND1 HIS A 138 -22.431 12.008 0.671 1.00 5.76 N ATOM 1635 CD2 HIS A 138 -21.360 10.482 -0.461 1.00 5.99 C ATOM 1636 CE1 HIS A 138 -23.306 11.421 -0.125 1.00 6.48 C ATOM 1637 NE2 HIS A 138 -22.681 10.490 -0.824 1.00 6.63 N ATOM 0 H HIS A 138 -17.318 12.035 1.956 1.00 3.83 H new ATOM 0 HA HIS A 138 -18.859 10.840 -0.282 1.00 4.40 H new ATOM 0 HB2 HIS A 138 -19.883 11.268 2.146 1.00 4.87 H new ATOM 0 HB3 HIS A 138 -20.052 12.897 1.522 1.00 4.87 H new ATOM 0 HD2 HIS A 138 -20.594 9.831 -0.856 1.00 5.99 H new ATOM 0 HE1 HIS A 138 -24.357 11.662 -0.193 1.00 6.48 H new ATOM 0 HE2 HIS A 138 -23.111 9.879 -1.518 1.00 6.63 H new ATOM 1646 N GLU A 139 -18.313 12.761 -1.706 1.00 5.07 N ATOM 1647 CA GLU A 139 -17.928 13.837 -2.600 1.00 5.70 C ATOM 1648 C GLU A 139 -19.087 14.808 -2.810 1.00 6.29 C ATOM 1649 O GLU A 139 -20.238 14.341 -2.940 1.00 6.65 O ATOM 1650 CB GLU A 139 -17.443 13.277 -3.949 1.00 5.71 C ATOM 1651 CG GLU A 139 -18.475 12.449 -4.705 1.00 5.26 C ATOM 1652 CD GLU A 139 -18.625 11.030 -4.183 1.00 5.14 C ATOM 1653 OE1 GLU A 139 -19.320 10.845 -3.166 1.00 5.08 O ATOM 1654 OE2 GLU A 139 -18.033 10.097 -4.770 1.00 5.38 O ATOM 1655 OXT GLU A 139 -18.837 16.026 -2.855 1.00 6.66 O ATOM 0 H GLU A 139 -18.529 11.883 -2.179 1.00 5.07 H new ATOM 0 HA GLU A 139 -17.105 14.382 -2.138 1.00 5.70 H new ATOM 0 HB2 GLU A 139 -17.132 14.109 -4.581 1.00 5.71 H new ATOM 0 HB3 GLU A 139 -16.561 12.661 -3.775 1.00 5.71 H new ATOM 0 HG2 GLU A 139 -19.441 12.951 -4.649 1.00 5.26 H new ATOM 0 HG3 GLU A 139 -18.196 12.411 -5.758 1.00 5.26 H new TER 1662 GLU A 139 ATOM 1663 N PHE B 143 -2.258 22.655 -0.633 1.00 8.10 N ATOM 1664 CA PHE B 143 -2.727 21.336 -1.119 1.00 8.03 C ATOM 1665 C PHE B 143 -1.925 20.201 -0.489 1.00 7.44 C ATOM 1666 O PHE B 143 -2.363 19.599 0.490 1.00 7.60 O ATOM 1667 CB PHE B 143 -2.647 21.250 -2.649 1.00 8.52 C ATOM 1668 CG PHE B 143 -3.712 22.032 -3.358 1.00 9.13 C ATOM 1669 CD1 PHE B 143 -4.985 21.510 -3.509 1.00 9.57 C ATOM 1670 CD2 PHE B 143 -3.443 23.289 -3.872 1.00 9.42 C ATOM 1671 CE1 PHE B 143 -5.970 22.225 -4.161 1.00 10.25 C ATOM 1672 CE2 PHE B 143 -4.422 24.008 -4.528 1.00 10.12 C ATOM 1673 CZ PHE B 143 -5.689 23.478 -4.670 1.00 10.53 C ATOM 0 HA PHE B 143 -3.770 21.231 -0.820 1.00 8.03 H new ATOM 0 HB2 PHE B 143 -1.670 21.609 -2.973 1.00 8.52 H new ATOM 0 HB3 PHE B 143 -2.718 20.204 -2.949 1.00 8.52 H new ATOM 0 HD1 PHE B 143 -5.211 20.531 -3.112 1.00 9.57 H new ATOM 0 HD2 PHE B 143 -2.456 23.712 -3.758 1.00 9.42 H new ATOM 0 HE1 PHE B 143 -6.959 21.805 -4.273 1.00 10.25 H new ATOM 0 HE2 PHE B 143 -4.197 24.985 -4.930 1.00 10.12 H new ATOM 0 HZ PHE B 143 -6.458 24.041 -5.178 1.00 10.53 H new ATOM 1685 N ASN B 144 -0.747 19.915 -1.036 1.00 7.01 N ATOM 1686 CA ASN B 144 0.071 18.810 -0.539 1.00 6.70 C ATOM 1687 C ASN B 144 0.992 19.275 0.581 1.00 5.91 C ATOM 1688 O ASN B 144 1.434 20.427 0.600 1.00 6.06 O ATOM 1689 CB ASN B 144 0.905 18.185 -1.662 1.00 7.00 C ATOM 1690 CG ASN B 144 0.056 17.584 -2.770 1.00 7.59 C ATOM 1691 OD1 ASN B 144 -0.317 16.413 -2.721 1.00 7.73 O ATOM 1692 ND2 ASN B 144 -0.255 18.385 -3.778 1.00 8.22 N ATOM 0 H ASN B 144 -0.339 20.428 -1.818 1.00 7.01 H new ATOM 0 HA ASN B 144 -0.611 18.054 -0.149 1.00 6.70 H new ATOM 0 HB2 ASN B 144 1.560 18.946 -2.086 1.00 7.00 H new ATOM 0 HB3 ASN B 144 1.546 17.410 -1.242 1.00 7.00 H new ATOM 0 HD21 ASN B 144 -0.823 18.036 -4.550 1.00 8.22 H new ATOM 0 HD22 ASN B 144 0.074 19.351 -3.782 1.00 8.22 H new ATOM 1699 N TYR B 145 1.289 18.371 1.501 1.00 5.34 N ATOM 1700 CA TYR B 145 2.144 18.680 2.641 1.00 4.71 C ATOM 1701 C TYR B 145 3.240 17.628 2.792 1.00 4.07 C ATOM 1702 O TYR B 145 3.377 16.737 1.948 1.00 4.28 O ATOM 1703 CB TYR B 145 1.306 18.776 3.918 1.00 5.00 C ATOM 1704 CG TYR B 145 0.436 17.567 4.171 1.00 5.29 C ATOM 1705 CD1 TYR B 145 -0.841 17.485 3.641 1.00 6.11 C ATOM 1706 CD2 TYR B 145 0.900 16.505 4.938 1.00 5.10 C ATOM 1707 CE1 TYR B 145 -1.637 16.380 3.864 1.00 6.74 C ATOM 1708 CE2 TYR B 145 0.116 15.394 5.164 1.00 5.74 C ATOM 1709 CZ TYR B 145 -1.173 15.352 4.643 1.00 6.56 C ATOM 1710 OH TYR B 145 -1.937 14.223 4.845 1.00 7.43 O ATOM 0 H TYR B 145 0.949 17.410 1.482 1.00 5.34 H new ATOM 0 HA TYR B 145 2.622 19.644 2.467 1.00 4.71 H new ATOM 0 HB2 TYR B 145 1.973 18.916 4.769 1.00 5.00 H new ATOM 0 HB3 TYR B 145 0.673 19.661 3.860 1.00 5.00 H new ATOM 0 HD1 TYR B 145 -1.220 18.300 3.043 1.00 6.11 H new ATOM 0 HD2 TYR B 145 1.891 16.551 5.364 1.00 5.10 H new ATOM 0 HE1 TYR B 145 -2.623 16.325 3.426 1.00 6.74 H new ATOM 0 HE2 TYR B 145 0.499 14.564 5.740 1.00 5.74 H new ATOM 0 HH TYR B 145 -1.852 13.933 5.777 1.00 7.43 H new ATOM 1720 N GLU B 146 4.018 17.732 3.863 1.00 3.73 N ATOM 1721 CA GLU B 146 5.146 16.834 4.087 1.00 3.42 C ATOM 1722 C GLU B 146 4.699 15.408 4.383 1.00 3.05 C ATOM 1723 O GLU B 146 3.841 15.174 5.235 1.00 3.46 O ATOM 1724 CB GLU B 146 6.027 17.365 5.217 1.00 3.93 C ATOM 1725 CG GLU B 146 7.150 18.279 4.742 1.00 4.68 C ATOM 1726 CD GLU B 146 6.727 19.208 3.621 1.00 5.33 C ATOM 1727 OE1 GLU B 146 6.175 20.288 3.909 1.00 5.92 O ATOM 1728 OE2 GLU B 146 6.945 18.853 2.440 1.00 5.51 O ATOM 0 H GLU B 146 3.888 18.432 4.593 1.00 3.73 H new ATOM 0 HA GLU B 146 5.725 16.802 3.164 1.00 3.42 H new ATOM 0 HB2 GLU B 146 5.404 17.909 5.926 1.00 3.93 H new ATOM 0 HB3 GLU B 146 6.460 16.522 5.755 1.00 3.93 H new ATOM 0 HG2 GLU B 146 7.507 18.873 5.583 1.00 4.68 H new ATOM 0 HG3 GLU B 146 7.988 17.669 4.404 1.00 4.68 H new ATOM 1735 N SER B 147 5.288 14.463 3.662 1.00 2.73 N ATOM 1736 CA SER B 147 4.994 13.054 3.854 1.00 2.56 C ATOM 1737 C SER B 147 6.020 12.434 4.799 1.00 1.90 C ATOM 1738 O SER B 147 7.151 12.910 4.896 1.00 2.33 O ATOM 1739 CB SER B 147 5.008 12.336 2.505 1.00 3.35 C ATOM 1740 OG SER B 147 4.232 13.048 1.551 1.00 4.34 O ATOM 0 H SER B 147 5.977 14.652 2.934 1.00 2.73 H new ATOM 0 HA SER B 147 4.004 12.948 4.297 1.00 2.56 H new ATOM 0 HB2 SER B 147 6.034 12.240 2.149 1.00 3.35 H new ATOM 0 HB3 SER B 147 4.615 11.326 2.621 1.00 3.35 H new ATOM 0 HG SER B 147 3.609 12.432 1.111 1.00 4.34 H new ATOM 1746 N THR B 148 5.625 11.381 5.497 1.00 1.20 N ATOM 1747 CA THR B 148 6.483 10.759 6.489 1.00 1.00 C ATOM 1748 C THR B 148 7.083 9.449 5.985 1.00 0.81 C ATOM 1749 O THR B 148 7.408 8.560 6.779 1.00 1.25 O ATOM 1750 CB THR B 148 5.690 10.495 7.781 1.00 1.18 C ATOM 1751 OG1 THR B 148 4.387 9.992 7.453 1.00 2.12 O ATOM 1752 CG2 THR B 148 5.559 11.769 8.603 1.00 1.63 C ATOM 0 H THR B 148 4.712 10.939 5.393 1.00 1.20 H new ATOM 0 HA THR B 148 7.302 11.450 6.689 1.00 1.00 H new ATOM 0 HB THR B 148 6.228 9.756 8.374 1.00 1.18 H new ATOM 0 HG1 THR B 148 3.885 9.823 8.277 1.00 2.12 H new ATOM 0 HG21 THR B 148 4.995 11.559 9.512 1.00 1.63 H new ATOM 0 HG22 THR B 148 6.551 12.135 8.868 1.00 1.63 H new ATOM 0 HG23 THR B 148 5.037 12.527 8.019 1.00 1.63 H new ATOM 1760 N ASP B 149 7.250 9.337 4.674 1.00 0.45 N ATOM 1761 CA ASP B 149 7.803 8.123 4.086 1.00 0.42 C ATOM 1762 C ASP B 149 9.327 8.144 4.127 1.00 0.31 C ATOM 1763 O ASP B 149 9.954 9.195 3.987 1.00 0.30 O ATOM 1764 CB ASP B 149 7.318 7.922 2.649 1.00 0.70 C ATOM 1765 CG ASP B 149 7.803 8.989 1.696 1.00 0.53 C ATOM 1766 OD1 ASP B 149 8.927 8.861 1.166 1.00 0.42 O ATOM 1767 OD2 ASP B 149 7.048 9.950 1.454 1.00 1.25 O ATOM 0 H ASP B 149 7.013 10.066 4.001 1.00 0.45 H new ATOM 0 HA ASP B 149 7.447 7.284 4.683 1.00 0.42 H new ATOM 0 HB2 ASP B 149 7.654 6.948 2.293 1.00 0.70 H new ATOM 0 HB3 ASP B 149 6.228 7.906 2.640 1.00 0.70 H new ATOM 1772 N PRO B 150 9.935 6.961 4.313 1.00 0.31 N ATOM 1773 CA PRO B 150 11.384 6.808 4.469 1.00 0.29 C ATOM 1774 C PRO B 150 12.172 7.087 3.190 1.00 0.29 C ATOM 1775 O PRO B 150 13.395 6.937 3.169 1.00 0.34 O ATOM 1776 CB PRO B 150 11.561 5.340 4.879 1.00 0.34 C ATOM 1777 CG PRO B 150 10.196 4.848 5.223 1.00 0.49 C ATOM 1778 CD PRO B 150 9.246 5.665 4.402 1.00 0.43 C ATOM 0 HA PRO B 150 11.767 7.526 5.194 1.00 0.29 H new ATOM 0 HB2 PRO B 150 11.994 4.756 4.067 1.00 0.34 H new ATOM 0 HB3 PRO B 150 12.235 5.250 5.731 1.00 0.34 H new ATOM 0 HG2 PRO B 150 10.095 3.787 4.996 1.00 0.49 H new ATOM 0 HG3 PRO B 150 9.995 4.967 6.288 1.00 0.49 H new ATOM 0 HD2 PRO B 150 9.079 5.226 3.418 1.00 0.43 H new ATOM 0 HD3 PRO B 150 8.271 5.756 4.880 1.00 0.43 H new ATOM 1786 N PHE B 151 11.473 7.436 2.118 1.00 0.31 N ATOM 1787 CA PHE B 151 12.112 7.671 0.831 1.00 0.39 C ATOM 1788 C PHE B 151 12.348 9.157 0.623 1.00 0.46 C ATOM 1789 O PHE B 151 13.434 9.577 0.217 1.00 0.56 O ATOM 1790 CB PHE B 151 11.244 7.108 -0.296 1.00 0.44 C ATOM 1791 CG PHE B 151 10.764 5.725 -0.001 1.00 0.36 C ATOM 1792 CD1 PHE B 151 11.618 4.645 -0.129 1.00 0.42 C ATOM 1793 CD2 PHE B 151 9.453 5.500 0.373 1.00 0.30 C ATOM 1794 CE1 PHE B 151 11.176 3.364 0.113 1.00 0.42 C ATOM 1795 CE2 PHE B 151 9.001 4.219 0.612 1.00 0.27 C ATOM 1796 CZ PHE B 151 9.883 3.170 0.610 1.00 0.32 C ATOM 0 H PHE B 151 10.461 7.563 2.115 1.00 0.31 H new ATOM 0 HA PHE B 151 13.076 7.162 0.819 1.00 0.39 H new ATOM 0 HB2 PHE B 151 10.387 7.762 -0.454 1.00 0.44 H new ATOM 0 HB3 PHE B 151 11.815 7.102 -1.224 1.00 0.44 H new ATOM 0 HD1 PHE B 151 12.644 4.809 -0.422 1.00 0.42 H new ATOM 0 HD2 PHE B 151 8.776 6.335 0.479 1.00 0.30 H new ATOM 0 HE1 PHE B 151 11.820 2.519 -0.079 1.00 0.42 H new ATOM 0 HE2 PHE B 151 7.952 4.043 0.801 1.00 0.27 H new ATOM 0 HZ PHE B 151 9.583 2.204 0.988 1.00 0.32 H new ATOM 1806 N THR B 152 11.331 9.951 0.913 1.00 0.53 N ATOM 1807 CA THR B 152 11.422 11.390 0.754 1.00 0.65 C ATOM 1808 C THR B 152 11.237 12.087 2.103 1.00 1.20 C ATOM 1809 O THR B 152 10.118 12.306 2.567 1.00 1.89 O ATOM 1810 CB THR B 152 10.398 11.907 -0.289 1.00 0.95 C ATOM 1811 OG1 THR B 152 9.058 11.568 0.093 1.00 1.59 O ATOM 1812 CG2 THR B 152 10.689 11.297 -1.654 1.00 0.98 C ATOM 0 H THR B 152 10.431 9.621 1.261 1.00 0.53 H new ATOM 0 HA THR B 152 12.417 11.629 0.378 1.00 0.65 H new ATOM 0 HB THR B 152 10.491 12.992 -0.337 1.00 0.95 H new ATOM 0 HG1 THR B 152 8.950 11.698 1.058 1.00 1.59 H new ATOM 0 HG21 THR B 152 9.964 11.666 -2.380 1.00 0.98 H new ATOM 0 HG22 THR B 152 11.694 11.576 -1.971 1.00 0.98 H new ATOM 0 HG23 THR B 152 10.617 10.211 -1.590 1.00 0.98 H new ATOM 1820 N ALA B 153 12.357 12.403 2.740 1.00 1.65 N ATOM 1821 CA ALA B 153 12.345 12.961 4.085 1.00 2.19 C ATOM 1822 C ALA B 153 11.959 14.433 4.085 1.00 2.66 C ATOM 1823 O ALA B 153 11.358 14.915 5.044 1.00 3.11 O ATOM 1824 CB ALA B 153 13.704 12.777 4.740 1.00 2.67 C ATOM 0 H ALA B 153 13.289 12.281 2.344 1.00 1.65 H new ATOM 0 HA ALA B 153 11.590 12.422 4.658 1.00 2.19 H new ATOM 0 HB1 ALA B 153 13.683 13.198 5.745 1.00 2.67 H new ATOM 0 HB2 ALA B 153 13.940 11.714 4.796 1.00 2.67 H new ATOM 0 HB3 ALA B 153 14.465 13.287 4.149 1.00 2.67 H new ATOM 1830 N LYS B 154 12.297 15.132 3.005 1.00 3.24 N ATOM 1831 CA LYS B 154 12.073 16.572 2.891 1.00 4.19 C ATOM 1832 C LYS B 154 12.863 17.312 3.969 1.00 5.08 C ATOM 1833 O LYS B 154 12.254 17.882 4.902 1.00 5.70 O ATOM 1834 CB LYS B 154 10.575 16.909 2.971 1.00 4.91 C ATOM 1835 CG LYS B 154 10.253 18.367 2.665 1.00 5.18 C ATOM 1836 CD LYS B 154 10.630 18.741 1.236 1.00 5.46 C ATOM 1837 CE LYS B 154 9.813 17.971 0.214 1.00 6.30 C ATOM 1838 NZ LYS B 154 8.370 18.325 0.260 1.00 6.99 N ATOM 1839 OXT LYS B 154 14.106 17.298 3.891 1.00 5.48 O ATOM 0 H LYS B 154 12.735 14.716 2.183 1.00 3.24 H new ATOM 0 HA LYS B 154 12.428 16.901 1.914 1.00 4.19 H new ATOM 0 HB2 LYS B 154 10.032 16.273 2.272 1.00 4.91 H new ATOM 0 HB3 LYS B 154 10.211 16.669 3.970 1.00 4.91 H new ATOM 0 HG2 LYS B 154 9.189 18.544 2.819 1.00 5.18 H new ATOM 0 HG3 LYS B 154 10.787 19.012 3.363 1.00 5.18 H new ATOM 0 HD2 LYS B 154 10.480 19.811 1.089 1.00 5.46 H new ATOM 0 HD3 LYS B 154 11.690 18.543 1.077 1.00 5.46 H new ATOM 0 HE2 LYS B 154 10.202 18.172 -0.784 1.00 6.30 H new ATOM 0 HE3 LYS B 154 9.928 16.902 0.392 1.00 6.30 H new ATOM 0 HZ1 LYS B 154 7.837 17.692 -0.370 1.00 6.99 H new ATOM 0 HZ2 LYS B 154 8.018 18.222 1.233 1.00 6.99 H new ATOM 0 HZ3 LYS B 154 8.244 19.309 -0.051 1.00 6.99 H new TER 1853 LYS B 154 HETATM 1854 CA CA A 141 -1.201 2.815 6.970 1.00 0.52 CA